data_25269
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25269
_Entry.PDB_ID 2MVI
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 25269
_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 PRO HA H 2 4.135 4.135 4.142 -0.007 25269
2 1 1 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.920 -1.815 25269
3 1 1 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.473 -2.420 25269
4 1 1 . 1 1 3 3 ALA N N 3 124.626 124.626 119.009 5.617 25269
5 1 1 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.193 -0.021 25269
6 1 1 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.962 -2.372 25269
7 1 1 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.852 -2.942 25269
8 1 1 . 1 1 3 3 ALA H H 3 8.259 8.259 8.274 -0.015 25269
9 1 1 . 1 1 4 4 TRP N N 4 117.335 117.335 112.951 4.384 25269
10 1 1 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.716 -0.447 25269
11 1 1 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.105 4.989 25269
12 1 1 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.608 -1.365 25269
13 1 1 . 1 1 4 4 TRP H H 4 7.581 7.581 6.858 0.723 25269
14 1 1 . 1 1 5 5 CYS N N 5 117.878 117.878 118.709 -0.831 25269
15 1 1 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.797 -0.593 25269
16 1 1 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.521 -3.408 25269
17 1 1 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.202 6.170 25269
18 1 1 . 1 1 5 5 CYS H H 5 7.880 7.880 7.129 0.751 25269
19 1 1 . 1 1 6 6 TRP N N 6 120.116 120.116 121.605 -1.489 25269
20 1 1 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.446 0.933 25269
21 1 1 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.339 -3.293 25269
22 1 1 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.590 -3.042 25269
23 1 1 . 1 1 6 6 TRP H H 6 7.514 7.514 8.393 -0.879 25269
24 1 1 . 1 1 7 7 TYR N N 7 117.617 117.617 115.990 1.627 25269
25 1 1 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.119 0.087 25269
26 1 1 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.931 -1.575 25269
27 1 1 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.791 -1.199 25269
28 1 1 . 1 1 7 7 TYR H H 7 7.758 7.758 8.493 -0.735 25269
29 1 1 . 1 1 8 8 THR N N 8 114.013 114.013 108.329 5.684 25269
30 1 1 . 1 1 8 8 THR HA H 8 3.807 3.807 4.243 -0.436 25269
31 1 1 . 1 1 8 8 THR CA C 8 63.506 63.506 62.707 0.799 25269
32 1 1 . 1 1 8 8 THR CB C 8 65.965 65.965 67.603 -1.638 25269
33 1 1 . 1 1 8 8 THR H H 8 7.843 7.843 8.382 -0.539 25269
34 1 1 . 1 1 9 9 LEU N N 9 121.631 121.631 120.518 1.113 25269
35 1 1 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.307 -0.367 25269
36 1 1 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.203 -0.812 25269
37 1 1 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.818 -4.143 25269
38 1 1 . 1 1 9 9 LEU H H 9 7.750 7.750 7.911 -0.161 25269
39 1 1 . 1 1 10 10 ALA N N 10 120.229 120.229 119.060 1.169 25269
40 1 1 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.890 0.115 25269
41 1 1 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.766 -1.132 25269
42 1 1 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.331 -1.772 25269
43 1 1 . 1 1 10 10 ALA H H 10 7.592 7.592 7.956 -0.364 25269
44 1 1 . 1 1 11 11 MET N N 11 114.827 114.827 115.841 -1.014 25269
45 1 1 . 1 1 11 11 MET HA H 11 3.800 3.800 3.884 -0.084 25269
46 1 1 . 1 1 11 11 MET CA C 11 55.416 55.416 55.312 0.103 25269
47 1 1 . 1 1 11 11 MET CB C 11 30.203 30.203 32.585 -2.382 25269
48 1 1 . 1 1 11 11 MET H H 11 7.788 7.788 8.144 -0.356 25269
49 1 1 . 1 1 12 12 CYS N N 12 117.096 117.096 117.629 -0.533 25269
50 1 1 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.597 -0.036 25269
51 1 1 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.387 -2.836 25269
52 1 1 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.463 11.270 25269
53 1 1 . 1 1 12 12 CYS H H 12 8.155 8.155 7.486 0.669 25269
54 1 1 . 1 1 13 13 GLY N N 13 108.467 108.467 111.387 -2.920 25269
55 1 1 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.062 -2.593 25269
56 1 1 . 1 1 13 13 GLY H H 13 8.112 8.112 8.737 -0.625 25269
57 1 1 . 1 1 14 14 ALA N N 14 121.448 121.448 121.426 0.022 25269
58 1 1 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.497 -0.197 25269
59 1 1 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.276 -1.813 25269
60 1 1 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.395 -3.048 25269
61 1 1 . 1 1 14 14 ALA H H 14 7.662 7.662 7.834 -0.172 25269
62 1 1 . 1 1 15 15 GLY N N 15 104.928 104.928 107.234 -2.306 25269
63 1 1 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.380 -3.650 25269
64 1 1 . 1 1 15 15 GLY H H 15 7.695 7.695 8.375 -0.680 25269
65 1 1 . 1 1 16 16 TYR N N 16 118.658 118.658 119.254 -0.596 25269
66 1 1 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.481 -0.016 25269
67 1 1 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.506 -4.287 25269
68 1 1 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.797 -3.738 25269
69 1 1 . 1 1 16 16 TYR H H 16 7.604 7.604 8.312 -0.708 25269
70 1 1 . 1 1 17 17 ASP N N 17 118.647 118.647 116.690 1.957 25269
71 1 1 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.746 -0.142 25269
72 1 1 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.374 -3.076 25269
73 1 1 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.800 -6.728 25269
74 1 1 . 1 1 17 17 ASP H H 17 7.919 7.919 7.624 0.295 25269
75 1 1 . 1 1 18 18 SER N N 18 116.466 116.466 116.131 0.335 25269
76 1 1 . 1 1 18 18 SER HA H 18 4.272 4.272 4.478 -0.206 25269
77 1 1 . 1 1 18 18 SER CA C 18 55.383 55.383 57.816 -2.433 25269
78 1 1 . 1 1 18 18 SER CB C 18 67.330 67.330 61.752 5.578 25269
79 1 1 . 1 1 18 18 SER H H 18 8.039 8.039 8.444 -0.405 25269
80 1 1 . 1 1 19 19 GLY N N 19 111.185 111.185 111.290 -0.105 25269
81 1 1 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.178 -1.903 25269
82 1 1 . 1 1 19 19 GLY H H 19 8.331 8.331 7.981 0.350 25269
83 1 1 . 1 1 20 20 THR N N 20 116.439 116.439 114.496 1.943 25269
84 1 1 . 1 1 20 20 THR HA H 20 4.110 4.110 4.477 -0.367 25269
85 1 1 . 1 1 20 20 THR CA C 20 62.430 62.430 62.694 -0.264 25269
86 1 1 . 1 1 20 20 THR CB C 20 65.863 65.863 70.109 -4.246 25269
87 1 1 . 1 1 20 20 THR H H 20 7.850 7.850 7.826 0.024 25269
88 1 1 . 1 1 21 21 CYS N N 21 119.701 119.701 124.870 -5.169 25269
89 1 1 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.635 -0.362 25269
90 1 1 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.990 -2.626 25269
91 1 1 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.845 7.171 25269
92 1 1 . 1 1 21 21 CYS H H 21 8.037 8.037 8.903 -0.866 25269
93 1 1 . 1 1 22 22 ASP N N 22 119.085 119.085 119.229 -0.144 25269
94 1 1 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.575 -0.123 25269
95 1 1 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.782 -0.855 25269
96 1 1 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.673 -5.590 25269
97 1 1 . 1 1 22 22 ASP H H 22 8.447 8.447 8.218 0.229 25269
98 1 1 . 1 1 23 23 TYR N N 23 121.546 121.546 121.130 0.416 25269
99 1 1 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.418 -0.293 25269
100 1 1 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.718 -2.413 25269
101 1 1 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.834 -2.111 25269
102 1 1 . 1 1 23 23 TYR H H 23 8.037 8.037 7.759 0.278 25269
103 1 1 . 1 1 24 24 MET N N 24 120.054 120.054 116.639 3.415 25269
104 1 1 . 1 1 24 24 MET HA H 24 4.123 4.123 4.310 -0.187 25269
105 1 1 . 1 1 24 24 MET CA C 24 56.163 56.163 58.216 -2.053 25269
106 1 1 . 1 1 24 24 MET CB C 24 28.747 28.747 30.478 -1.731 25269
107 1 1 . 1 1 24 24 MET H H 24 8.459 8.459 8.110 0.349 25269
108 1 1 . 1 1 25 25 TYR N N 25 120.358 120.358 120.132 0.226 25269
109 1 1 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.371 -0.247 25269
110 1 1 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.862 -0.217 25269
111 1 1 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.744 -2.234 25269
112 1 1 . 1 1 25 25 TYR H H 25 8.909 8.909 7.577 1.332 25269
113 1 1 . 1 1 26 26 SER N N 26 112.447 112.447 113.837 -1.390 25269
114 1 1 . 1 1 26 26 SER HA H 26 4.124 4.124 4.500 -0.376 25269
115 1 1 . 1 1 26 26 SER CA C 26 58.949 58.949 58.545 0.404 25269
116 1 1 . 1 1 26 26 SER CB C 26 60.889 60.889 62.484 -1.595 25269
117 1 1 . 1 1 26 26 SER H H 26 8.039 8.039 7.526 0.513 25269
118 1 1 . 1 1 27 27 HIS N N 27 116.202 116.202 117.005 -0.803 25269
119 1 1 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.402 -0.178 25269
120 1 1 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.038 -1.631 25269
121 1 1 . 1 1 27 27 HIS CB C 27 25.552 25.552 28.173 -2.621 25269
122 1 1 . 1 1 27 27 HIS H H 27 7.790 7.790 7.698 0.092 25269
123 1 1 . 1 1 28 28 CYS N N 28 115.699 115.699 116.015 -0.316 25269
124 1 1 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.712 -0.486 25269
125 1 1 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.825 -4.431 25269
126 1 1 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.569 10.911 25269
127 1 1 . 1 1 28 28 CYS H H 28 8.096 8.096 8.133 -0.037 25269
128 1 1 . 1 1 29 29 PHE N N 29 115.898 115.898 118.863 -2.965 25269
129 1 1 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.954 -0.356 25269
130 1 1 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.636 -2.583 25269
131 1 1 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.823 -3.353 25269
132 1 1 . 1 1 29 29 PHE H H 29 7.682 7.682 7.815 -0.133 25269
133 1 1 . 1 1 30 30 GLY N N 30 107.941 107.941 108.067 -0.126 25269
134 1 1 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.490 -3.596 25269
135 1 1 . 1 1 30 30 GLY H H 30 7.577 7.577 8.829 -1.252 25269
136 1 1 . 1 1 31 31 VAL N N 31 115.625 115.625 110.356 5.269 25269
137 1 1 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.336 -0.288 25269
138 1 1 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.005 -3.010 25269
139 1 1 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.539 -2.196 25269
140 1 1 . 1 1 31 31 VAL H H 31 7.584 7.584 7.902 -0.318 25269
141 1 1 . 1 1 32 32 LYS N N 32 123.707 123.707 120.697 3.010 25269
142 1 1 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.856 0.340 25269
143 1 1 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.846 -3.566 25269
144 1 1 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.318 -1.929 25269
145 1 1 . 1 1 32 32 LYS H H 32 8.002 8.002 7.741 0.261 25269
146 1 1 . 1 1 33 33 HIS N N 33 119.228 119.228 116.069 3.159 25269
147 1 1 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.395 0.223 25269
148 1 1 . 1 1 33 33 HIS CA C 33 52.353 52.353 56.686 -4.333 25269
149 1 1 . 1 1 33 33 HIS CB C 33 26.559 26.559 28.449 -1.890 25269
150 1 1 . 1 1 33 33 HIS H H 33 8.205 8.205 8.489 -0.284 25269
151 1 1 . 1 1 34 34 SER N N 34 114.324 114.324 112.644 1.680 25269
152 1 1 . 1 1 34 34 SER HA H 34 4.329 4.329 4.197 0.132 25269
153 1 1 . 1 1 34 34 SER CA C 34 55.392 55.392 60.273 -4.881 25269
154 1 1 . 1 1 34 34 SER CB C 34 61.072 61.072 63.426 -2.354 25269
155 1 1 . 1 1 34 34 SER H H 34 7.814 7.814 8.540 -0.726 25269
156 1 1 . 1 1 35 35 SER N N 35 117.133 117.133 115.893 1.240 25269
157 1 1 . 1 1 35 35 SER HA H 35 4.392 4.392 4.349 0.043 25269
158 1 1 . 1 1 35 35 SER CA C 35 55.618 55.618 58.440 -2.822 25269
159 1 1 . 1 1 35 35 SER CB C 35 61.247 61.247 63.854 -2.607 25269
160 1 1 . 1 1 35 35 SER H H 35 8.185 8.185 7.572 0.613 25269
161 1 1 . 1 1 36 36 GLY N N 36 107.839 107.839 107.698 0.141 25269
162 1 1 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.520 -3.097 25269
163 1 1 . 1 1 36 36 GLY H H 36 8.021 8.021 8.262 -0.241 25269
164 1 1 . 1 1 37 37 GLY N N 37 109.587 109.587 110.148 -0.561 25269
165 1 1 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.330 -1.743 25269
166 1 1 . 1 1 37 37 GLY H H 37 8.159 8.159 7.861 0.298 25269
167 1 1 . 1 1 38 38 GLY N N 38 107.839 107.839 108.018 -0.179 25269
168 1 1 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.078 -2.655 25269
169 1 1 . 1 1 38 38 GLY H H 38 8.047 8.047 8.384 -0.337 25269
170 1 1 . 1 1 39 39 GLY N N 39 107.993 107.993 108.139 -0.146 25269
171 1 1 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.319 -1.776 25269
172 1 1 . 1 1 39 39 GLY H H 39 8.095 8.095 7.788 0.307 25269
173 1 1 . 1 1 40 40 SER N N 40 116.643 116.643 117.536 -0.893 25269
174 1 1 . 1 1 40 40 SER HA H 40 4.394 4.394 4.634 -0.240 25269
175 1 1 . 1 1 40 40 SER CA C 40 55.388 55.388 57.934 -2.546 25269
176 1 1 . 1 1 40 40 SER CB C 40 61.227 61.227 64.208 -2.981 25269
177 1 1 . 1 1 40 40 SER H H 40 8.079 8.079 8.184 -0.105 25269
178 1 1 . 1 1 41 41 TYR N N 41 120.646 120.646 122.697 -2.051 25269
179 1 1 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.391 0.060 25269
180 1 1 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.672 -3.546 25269
181 1 1 . 1 1 41 41 TYR CB C 41 36.013 36.013 39.267 -3.253 25269
182 1 1 . 1 1 41 41 TYR H H 41 7.854 7.854 8.545 -0.691 25269
183 1 1 . 1 1 42 42 HIS N N 42 118.252 118.252 124.129 -5.877 25269
184 1 1 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.214 0.393 25269
185 1 1 . 1 1 42 42 HIS CA C 42 51.920 51.920 57.580 -5.660 25269
186 1 1 . 1 1 42 42 HIS CB C 42 27.108 27.108 30.157 -3.049 25269
187 1 1 . 1 1 42 42 HIS H H 42 7.806 7.806 8.641 -0.835 25269
188 1 2 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.132 0.003 25269
189 1 2 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.919 -1.814 25269
190 1 2 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.454 -2.401 25269
191 1 2 . 1 1 3 3 ALA N N 3 124.626 124.626 118.999 5.627 25269
192 1 2 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.216 -0.044 25269
193 1 2 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.944 -2.354 25269
194 1 2 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.841 -2.931 25269
195 1 2 . 1 1 3 3 ALA H H 3 8.259 8.259 8.277 -0.018 25269
196 1 2 . 1 1 4 4 TRP N N 4 117.335 117.335 112.568 4.767 25269
197 1 2 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.724 -0.455 25269
198 1 2 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.311 4.783 25269
199 1 2 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.861 -1.619 25269
200 1 2 . 1 1 4 4 TRP H H 4 7.581 7.581 6.845 0.736 25269
201 1 2 . 1 1 5 5 CYS N N 5 117.878 117.878 118.414 -0.536 25269
202 1 2 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.800 -0.596 25269
203 1 2 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.581 -3.468 25269
204 1 2 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.413 5.959 25269
205 1 2 . 1 1 5 5 CYS H H 5 7.880 7.880 7.065 0.815 25269
206 1 2 . 1 1 6 6 TRP N N 6 120.116 120.116 121.566 -1.450 25269
207 1 2 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.396 0.983 25269
208 1 2 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.265 -3.219 25269
209 1 2 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.576 -3.028 25269
210 1 2 . 1 1 6 6 TRP H H 6 7.514 7.514 8.320 -0.806 25269
211 1 2 . 1 1 7 7 TYR N N 7 117.617 117.617 115.035 2.582 25269
212 1 2 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.151 0.055 25269
213 1 2 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.787 -1.431 25269
214 1 2 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.030 -1.438 25269
215 1 2 . 1 1 7 7 TYR H H 7 7.758 7.758 8.505 -0.747 25269
216 1 2 . 1 1 8 8 THR N N 8 114.013 114.013 108.179 5.834 25269
217 1 2 . 1 1 8 8 THR HA H 8 3.807 3.807 4.278 -0.471 25269
218 1 2 . 1 1 8 8 THR CA C 8 63.506 63.506 63.262 0.244 25269
219 1 2 . 1 1 8 8 THR CB C 8 65.965 65.965 67.514 -1.549 25269
220 1 2 . 1 1 8 8 THR H H 8 7.843 7.843 8.549 -0.706 25269
221 1 2 . 1 1 9 9 LEU N N 9 121.631 121.631 121.249 0.382 25269
222 1 2 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.321 -0.381 25269
223 1 2 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.276 -0.885 25269
224 1 2 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.718 -4.043 25269
225 1 2 . 1 1 9 9 LEU H H 9 7.750 7.750 7.990 -0.240 25269
226 1 2 . 1 1 10 10 ALA N N 10 120.229 120.229 119.026 1.203 25269
227 1 2 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.900 0.105 25269
228 1 2 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.783 -1.149 25269
229 1 2 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.302 -1.744 25269
230 1 2 . 1 1 10 10 ALA H H 10 7.592 7.592 8.002 -0.410 25269
231 1 2 . 1 1 11 11 MET N N 11 114.827 114.827 115.664 -0.837 25269
232 1 2 . 1 1 11 11 MET HA H 11 3.800 3.800 3.996 -0.196 25269
233 1 2 . 1 1 11 11 MET CA C 11 55.416 55.416 55.533 -0.117 25269
234 1 2 . 1 1 11 11 MET CB C 11 30.203 30.203 32.670 -2.467 25269
235 1 2 . 1 1 11 11 MET H H 11 7.788 7.788 8.150 -0.362 25269
236 1 2 . 1 1 12 12 CYS N N 12 117.096 117.096 117.584 -0.488 25269
237 1 2 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.605 -0.044 25269
238 1 2 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.426 -2.875 25269
239 1 2 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.422 11.311 25269
240 1 2 . 1 1 12 12 CYS H H 12 8.155 8.155 7.488 0.667 25269
241 1 2 . 1 1 13 13 GLY N N 13 108.467 108.467 111.433 -2.966 25269
242 1 2 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.115 -2.646 25269
243 1 2 . 1 1 13 13 GLY H H 13 8.112 8.112 8.742 -0.630 25269
244 1 2 . 1 1 14 14 ALA N N 14 121.448 121.448 121.438 0.010 25269
245 1 2 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.512 -0.212 25269
246 1 2 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.155 -1.692 25269
247 1 2 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.373 -3.026 25269
248 1 2 . 1 1 14 14 ALA H H 14 7.662 7.662 7.812 -0.150 25269
249 1 2 . 1 1 15 15 GLY N N 15 104.928 104.928 107.270 -2.342 25269
250 1 2 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.423 -3.692 25269
251 1 2 . 1 1 15 15 GLY H H 15 7.695 7.695 8.372 -0.677 25269
252 1 2 . 1 1 16 16 TYR N N 16 118.658 118.658 119.257 -0.599 25269
253 1 2 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.519 -0.054 25269
254 1 2 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.378 -4.159 25269
255 1 2 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.831 -3.772 25269
256 1 2 . 1 1 16 16 TYR H H 16 7.604 7.604 8.177 -0.573 25269
257 1 2 . 1 1 17 17 ASP N N 17 118.647 118.647 117.054 1.593 25269
258 1 2 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.728 -0.124 25269
259 1 2 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.402 -3.104 25269
260 1 2 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.100 -7.028 25269
261 1 2 . 1 1 17 17 ASP H H 17 7.919 7.919 7.737 0.182 25269
262 1 2 . 1 1 18 18 SER N N 18 116.466 116.466 116.503 -0.037 25269
263 1 2 . 1 1 18 18 SER HA H 18 4.272 4.272 4.522 -0.250 25269
264 1 2 . 1 1 18 18 SER CA C 18 55.383 55.383 57.875 -2.492 25269
265 1 2 . 1 1 18 18 SER CB C 18 67.330 67.330 61.701 5.629 25269
266 1 2 . 1 1 18 18 SER H H 18 8.039 8.039 8.483 -0.444 25269
267 1 2 . 1 1 19 19 GLY N N 19 111.185 111.185 111.653 -0.468 25269
268 1 2 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.150 -1.876 25269
269 1 2 . 1 1 19 19 GLY H H 19 8.331 8.331 8.000 0.331 25269
270 1 2 . 1 1 20 20 THR N N 20 116.439 116.439 114.265 2.174 25269
271 1 2 . 1 1 20 20 THR HA H 20 4.110 4.110 4.489 -0.379 25269
272 1 2 . 1 1 20 20 THR CA C 20 62.430 62.430 62.844 -0.414 25269
273 1 2 . 1 1 20 20 THR CB C 20 65.863 65.863 70.553 -4.690 25269
274 1 2 . 1 1 20 20 THR H H 20 7.850 7.850 7.762 0.088 25269
275 1 2 . 1 1 21 21 CYS N N 21 119.701 119.701 124.829 -5.128 25269
276 1 2 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.646 -0.373 25269
277 1 2 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.924 -2.560 25269
278 1 2 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.476 7.540 25269
279 1 2 . 1 1 21 21 CYS H H 21 8.037 8.037 8.862 -0.825 25269
280 1 2 . 1 1 22 22 ASP N N 22 119.085 119.085 118.919 0.166 25269
281 1 2 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.538 -0.086 25269
282 1 2 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.821 -0.894 25269
283 1 2 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.917 -5.834 25269
284 1 2 . 1 1 22 22 ASP H H 22 8.447 8.447 8.398 0.049 25269
285 1 2 . 1 1 23 23 TYR N N 23 121.546 121.546 121.312 0.234 25269
286 1 2 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.439 -0.314 25269
287 1 2 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.223 -2.918 25269
288 1 2 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.859 -2.136 25269
289 1 2 . 1 1 23 23 TYR H H 23 8.037 8.037 7.948 0.089 25269
290 1 2 . 1 1 24 24 MET N N 24 120.054 120.054 115.688 4.366 25269
291 1 2 . 1 1 24 24 MET HA H 24 4.123 4.123 4.327 -0.204 25269
292 1 2 . 1 1 24 24 MET CA C 24 56.163 56.163 58.258 -2.095 25269
293 1 2 . 1 1 24 24 MET CB C 24 28.747 28.747 30.760 -2.013 25269
294 1 2 . 1 1 24 24 MET H H 24 8.459 8.459 8.064 0.395 25269
295 1 2 . 1 1 25 25 TYR N N 25 120.358 120.358 119.716 0.642 25269
296 1 2 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.288 -0.164 25269
297 1 2 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.833 -0.188 25269
298 1 2 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.727 -2.217 25269
299 1 2 . 1 1 25 25 TYR H H 25 8.909 8.909 7.613 1.296 25269
300 1 2 . 1 1 26 26 SER N N 26 112.447 112.447 112.682 -0.235 25269
301 1 2 . 1 1 26 26 SER HA H 26 4.124 4.124 4.380 -0.256 25269
302 1 2 . 1 1 26 26 SER CA C 26 58.949 58.949 58.334 0.615 25269
303 1 2 . 1 1 26 26 SER CB C 26 60.889 60.889 63.599 -2.710 25269
304 1 2 . 1 1 26 26 SER H H 26 8.039 8.039 7.551 0.488 25269
305 1 2 . 1 1 27 27 HIS N N 27 116.202 116.202 117.323 -1.121 25269
306 1 2 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.374 -0.150 25269
307 1 2 . 1 1 27 27 HIS CA C 27 55.406 55.406 56.820 -1.414 25269
308 1 2 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.893 -2.341 25269
309 1 2 . 1 1 27 27 HIS H H 27 7.790 7.790 7.965 -0.175 25269
310 1 2 . 1 1 28 28 CYS N N 28 115.699 115.699 116.435 -0.736 25269
311 1 2 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.723 -0.498 25269
312 1 2 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.676 -4.282 25269
313 1 2 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.362 11.117 25269
314 1 2 . 1 1 28 28 CYS H H 28 8.096 8.096 8.153 -0.057 25269
315 1 2 . 1 1 29 29 PHE N N 29 115.898 115.898 118.994 -3.096 25269
316 1 2 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.925 -0.327 25269
317 1 2 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.702 -2.649 25269
318 1 2 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.791 -3.321 25269
319 1 2 . 1 1 29 29 PHE H H 29 7.682 7.682 7.844 -0.162 25269
320 1 2 . 1 1 30 30 GLY N N 30 107.941 107.941 107.974 -0.033 25269
321 1 2 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.271 -3.377 25269
322 1 2 . 1 1 30 30 GLY H H 30 7.577 7.577 8.930 -1.353 25269
323 1 2 . 1 1 31 31 VAL N N 31 115.625 115.625 111.285 4.340 25269
324 1 2 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.305 -0.257 25269
325 1 2 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.214 -3.219 25269
326 1 2 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.399 -2.056 25269
327 1 2 . 1 1 31 31 VAL H H 31 7.584 7.584 7.888 -0.304 25269
328 1 2 . 1 1 32 32 LYS N N 32 123.707 123.707 118.693 5.014 25269
329 1 2 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.928 0.268 25269
330 1 2 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.507 -3.227 25269
331 1 2 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.167 -1.778 25269
332 1 2 . 1 1 32 32 LYS H H 32 8.002 8.002 7.628 0.374 25269
333 1 2 . 1 1 33 33 HIS N N 33 119.228 119.228 116.847 2.381 25269
334 1 2 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.361 0.257 25269
335 1 2 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.997 -3.644 25269
336 1 2 . 1 1 33 33 HIS CB C 33 26.559 26.559 29.011 -2.451 25269
337 1 2 . 1 1 33 33 HIS H H 33 8.205 8.205 8.748 -0.543 25269
338 1 2 . 1 1 34 34 SER N N 34 114.324 114.324 114.022 0.302 25269
339 1 2 . 1 1 34 34 SER HA H 34 4.329 4.329 4.443 -0.114 25269
340 1 2 . 1 1 34 34 SER CA C 34 55.392 55.392 58.463 -3.071 25269
341 1 2 . 1 1 34 34 SER CB C 34 61.072 61.072 63.869 -2.797 25269
342 1 2 . 1 1 34 34 SER H H 34 7.814 7.814 7.769 0.045 25269
343 1 2 . 1 1 35 35 SER N N 35 117.133 117.133 118.911 -1.778 25269
344 1 2 . 1 1 35 35 SER HA H 35 4.392 4.392 4.333 0.059 25269
345 1 2 . 1 1 35 35 SER CA C 35 55.618 55.618 58.199 -2.581 25269
346 1 2 . 1 1 35 35 SER CB C 35 61.247 61.247 62.616 -1.369 25269
347 1 2 . 1 1 35 35 SER H H 35 8.185 8.185 8.545 -0.360 25269
348 1 2 . 1 1 36 36 GLY N N 36 107.839 107.839 114.938 -7.099 25269
349 1 2 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.774 -3.351 25269
350 1 2 . 1 1 36 36 GLY H H 36 8.021 8.021 8.208 -0.187 25269
351 1 2 . 1 1 37 37 GLY N N 37 109.587 109.587 108.008 1.579 25269
352 1 2 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.788 -3.201 25269
353 1 2 . 1 1 37 37 GLY H H 37 8.159 8.159 7.864 0.295 25269
354 1 2 . 1 1 38 38 GLY N N 38 107.839 107.839 109.257 -1.418 25269
355 1 2 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.716 -2.293 25269
356 1 2 . 1 1 38 38 GLY H H 38 8.047 8.047 8.442 -0.395 25269
357 1 2 . 1 1 39 39 GLY N N 39 107.993 107.993 108.485 -0.492 25269
358 1 2 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.432 -1.889 25269
359 1 2 . 1 1 39 39 GLY H H 39 8.095 8.095 8.106 -0.011 25269
360 1 2 . 1 1 40 40 SER N N 40 116.643 116.643 116.498 0.145 25269
361 1 2 . 1 1 40 40 SER HA H 40 4.394 4.394 4.784 -0.390 25269
362 1 2 . 1 1 40 40 SER CA C 40 55.388 55.388 56.857 -1.469 25269
363 1 2 . 1 1 40 40 SER CB C 40 61.227 61.227 63.862 -2.635 25269
364 1 2 . 1 1 40 40 SER H H 40 8.079 8.079 8.423 -0.344 25269
365 1 2 . 1 1 41 41 TYR N N 41 120.646 120.646 126.260 -5.614 25269
366 1 2 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.569 -0.118 25269
367 1 2 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.411 -3.286 25269
368 1 2 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.882 -1.869 25269
369 1 2 . 1 1 41 41 TYR H H 41 7.854 7.854 8.399 -0.545 25269
370 1 2 . 1 1 42 42 HIS N N 42 118.252 118.252 119.740 -1.488 25269
371 1 2 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.375 0.232 25269
372 1 2 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.046 -4.126 25269
373 1 2 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.390 -2.282 25269
374 1 2 . 1 1 42 42 HIS H H 42 7.806 7.806 7.915 -0.109 25269
375 1 3 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.126 0.009 25269
376 1 3 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.914 -1.809 25269
377 1 3 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.440 -2.387 25269
378 1 3 . 1 1 3 3 ALA N N 3 124.626 124.626 119.036 5.590 25269
379 1 3 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.199 -0.027 25269
380 1 3 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.993 -2.404 25269
381 1 3 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.805 -2.895 25269
382 1 3 . 1 1 3 3 ALA H H 3 8.259 8.259 8.296 -0.037 25269
383 1 3 . 1 1 4 4 TRP N N 4 117.335 117.335 112.715 4.620 25269
384 1 3 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.715 -0.446 25269
385 1 3 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.229 4.865 25269
386 1 3 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.995 -1.753 25269
387 1 3 . 1 1 4 4 TRP H H 4 7.581 7.581 6.852 0.729 25269
388 1 3 . 1 1 5 5 CYS N N 5 117.878 117.878 118.651 -0.773 25269
389 1 3 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.774 -0.570 25269
390 1 3 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.724 -3.611 25269
391 1 3 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.453 5.919 25269
392 1 3 . 1 1 5 5 CYS H H 5 7.880 7.880 7.033 0.847 25269
393 1 3 . 1 1 6 6 TRP N N 6 120.116 120.116 121.569 -1.453 25269
394 1 3 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.395 0.984 25269
395 1 3 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.242 -3.196 25269
396 1 3 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.565 -3.017 25269
397 1 3 . 1 1 6 6 TRP H H 6 7.514 7.514 8.278 -0.764 25269
398 1 3 . 1 1 7 7 TYR N N 7 117.617 117.617 115.982 1.635 25269
399 1 3 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.106 0.100 25269
400 1 3 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.952 -1.596 25269
401 1 3 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.771 -1.179 25269
402 1 3 . 1 1 7 7 TYR H H 7 7.758 7.758 8.485 -0.727 25269
403 1 3 . 1 1 8 8 THR N N 8 114.013 114.013 108.316 5.697 25269
404 1 3 . 1 1 8 8 THR HA H 8 3.807 3.807 4.247 -0.440 25269
405 1 3 . 1 1 8 8 THR CA C 8 63.506 63.506 62.723 0.783 25269
406 1 3 . 1 1 8 8 THR CB C 8 65.965 65.965 67.613 -1.648 25269
407 1 3 . 1 1 8 8 THR H H 8 7.843 7.843 8.363 -0.520 25269
408 1 3 . 1 1 9 9 LEU N N 9 121.631 121.631 120.521 1.110 25269
409 1 3 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.322 -0.382 25269
410 1 3 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.223 -0.832 25269
411 1 3 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.812 -4.137 25269
412 1 3 . 1 1 9 9 LEU H H 9 7.750 7.750 7.972 -0.222 25269
413 1 3 . 1 1 10 10 ALA N N 10 120.229 120.229 119.059 1.170 25269
414 1 3 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.879 0.126 25269
415 1 3 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.777 -1.143 25269
416 1 3 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.315 -1.757 25269
417 1 3 . 1 1 10 10 ALA H H 10 7.592 7.592 7.998 -0.406 25269
418 1 3 . 1 1 11 11 MET N N 11 114.827 114.827 115.479 -0.652 25269
419 1 3 . 1 1 11 11 MET HA H 11 3.800 3.800 4.001 -0.201 25269
420 1 3 . 1 1 11 11 MET CA C 11 55.416 55.416 55.354 0.062 25269
421 1 3 . 1 1 11 11 MET CB C 11 30.203 30.203 32.576 -2.373 25269
422 1 3 . 1 1 11 11 MET H H 11 7.788 7.788 8.134 -0.346 25269
423 1 3 . 1 1 12 12 CYS N N 12 117.096 117.096 117.754 -0.658 25269
424 1 3 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.587 -0.026 25269
425 1 3 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.430 -2.879 25269
426 1 3 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.410 11.323 25269
427 1 3 . 1 1 12 12 CYS H H 12 8.155 8.155 7.471 0.684 25269
428 1 3 . 1 1 13 13 GLY N N 13 108.467 108.467 111.468 -3.001 25269
429 1 3 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.054 -2.585 25269
430 1 3 . 1 1 13 13 GLY H H 13 8.112 8.112 8.725 -0.613 25269
431 1 3 . 1 1 14 14 ALA N N 14 121.448 121.448 121.417 0.031 25269
432 1 3 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.492 -0.192 25269
433 1 3 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.296 -1.833 25269
434 1 3 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.403 -3.056 25269
435 1 3 . 1 1 14 14 ALA H H 14 7.662 7.662 7.836 -0.174 25269
436 1 3 . 1 1 15 15 GLY N N 15 104.928 104.928 107.270 -2.342 25269
437 1 3 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.409 -3.678 25269
438 1 3 . 1 1 15 15 GLY H H 15 7.695 7.695 8.369 -0.674 25269
439 1 3 . 1 1 16 16 TYR N N 16 118.658 118.658 119.180 -0.522 25269
440 1 3 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.514 -0.049 25269
441 1 3 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.360 -4.141 25269
442 1 3 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.803 -3.744 25269
443 1 3 . 1 1 16 16 TYR H H 16 7.604 7.604 8.173 -0.569 25269
444 1 3 . 1 1 17 17 ASP N N 17 118.647 118.647 117.091 1.556 25269
445 1 3 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.717 -0.113 25269
446 1 3 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.395 -3.096 25269
447 1 3 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.049 -6.977 25269
448 1 3 . 1 1 17 17 ASP H H 17 7.919 7.919 7.695 0.224 25269
449 1 3 . 1 1 18 18 SER N N 18 116.466 116.466 116.160 0.306 25269
450 1 3 . 1 1 18 18 SER HA H 18 4.272 4.272 4.494 -0.222 25269
451 1 3 . 1 1 18 18 SER CA C 18 55.383 55.383 57.901 -2.518 25269
452 1 3 . 1 1 18 18 SER CB C 18 67.330 67.330 61.808 5.522 25269
453 1 3 . 1 1 18 18 SER H H 18 8.039 8.039 8.489 -0.450 25269
454 1 3 . 1 1 19 19 GLY N N 19 111.185 111.185 110.642 0.543 25269
455 1 3 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.255 -1.981 25269
456 1 3 . 1 1 19 19 GLY H H 19 8.331 8.331 8.025 0.306 25269
457 1 3 . 1 1 20 20 THR N N 20 116.439 116.439 114.247 2.192 25269
458 1 3 . 1 1 20 20 THR HA H 20 4.110 4.110 4.425 -0.315 25269
459 1 3 . 1 1 20 20 THR CA C 20 62.430 62.430 62.337 0.092 25269
460 1 3 . 1 1 20 20 THR CB C 20 65.863 65.863 70.235 -4.372 25269
461 1 3 . 1 1 20 20 THR H H 20 7.850 7.850 7.784 0.066 25269
462 1 3 . 1 1 21 21 CYS N N 21 119.701 119.701 125.050 -5.349 25269
463 1 3 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.616 -0.343 25269
464 1 3 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.090 -2.726 25269
465 1 3 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.117 7.899 25269
466 1 3 . 1 1 21 21 CYS H H 21 8.037 8.037 8.920 -0.883 25269
467 1 3 . 1 1 22 22 ASP N N 22 119.085 119.085 118.913 0.172 25269
468 1 3 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.524 -0.072 25269
469 1 3 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.803 -0.876 25269
470 1 3 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.903 -5.820 25269
471 1 3 . 1 1 22 22 ASP H H 22 8.447 8.447 8.398 0.049 25269
472 1 3 . 1 1 23 23 TYR N N 23 121.546 121.546 121.360 0.186 25269
473 1 3 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.447 -0.322 25269
474 1 3 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.253 -2.948 25269
475 1 3 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.811 -2.088 25269
476 1 3 . 1 1 23 23 TYR H H 23 8.037 8.037 7.916 0.121 25269
477 1 3 . 1 1 24 24 MET N N 24 120.054 120.054 115.970 4.084 25269
478 1 3 . 1 1 24 24 MET HA H 24 4.123 4.123 4.302 -0.179 25269
479 1 3 . 1 1 24 24 MET CA C 24 56.163 56.163 58.254 -2.091 25269
480 1 3 . 1 1 24 24 MET CB C 24 28.747 28.747 30.637 -1.890 25269
481 1 3 . 1 1 24 24 MET H H 24 8.459 8.459 8.094 0.365 25269
482 1 3 . 1 1 25 25 TYR N N 25 120.358 120.358 119.367 0.991 25269
483 1 3 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.231 -0.107 25269
484 1 3 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.059 -0.414 25269
485 1 3 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.781 -2.271 25269
486 1 3 . 1 1 25 25 TYR H H 25 8.909 8.909 7.555 1.354 25269
487 1 3 . 1 1 26 26 SER N N 26 112.447 112.447 112.926 -0.479 25269
488 1 3 . 1 1 26 26 SER HA H 26 4.124 4.124 4.482 -0.358 25269
489 1 3 . 1 1 26 26 SER CA C 26 58.949 58.949 58.473 0.476 25269
490 1 3 . 1 1 26 26 SER CB C 26 60.889 60.889 63.742 -2.853 25269
491 1 3 . 1 1 26 26 SER H H 26 8.039 8.039 7.538 0.501 25269
492 1 3 . 1 1 27 27 HIS N N 27 116.202 116.202 116.607 -0.405 25269
493 1 3 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.373 -0.149 25269
494 1 3 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.365 -1.959 25269
495 1 3 . 1 1 27 27 HIS CB C 27 25.552 25.552 26.975 -1.423 25269
496 1 3 . 1 1 27 27 HIS H H 27 7.790 7.790 8.078 -0.288 25269
497 1 3 . 1 1 28 28 CYS N N 28 115.699 115.699 116.381 -0.682 25269
498 1 3 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.777 -0.552 25269
499 1 3 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.629 -4.234 25269
500 1 3 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.403 11.076 25269
501 1 3 . 1 1 28 28 CYS H H 28 8.096 8.096 8.009 0.087 25269
502 1 3 . 1 1 29 29 PHE N N 29 115.898 115.898 119.147 -3.249 25269
503 1 3 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.883 -0.285 25269
504 1 3 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.520 -2.467 25269
505 1 3 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.548 -3.078 25269
506 1 3 . 1 1 29 29 PHE H H 29 7.682 7.682 7.798 -0.116 25269
507 1 3 . 1 1 30 30 GLY N N 30 107.941 107.941 108.017 -0.076 25269
508 1 3 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.595 -3.701 25269
509 1 3 . 1 1 30 30 GLY H H 30 7.577 7.577 8.673 -1.096 25269
510 1 3 . 1 1 31 31 VAL N N 31 115.625 115.625 112.660 2.965 25269
511 1 3 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.127 -0.079 25269
512 1 3 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.965 -3.970 25269
513 1 3 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.100 -1.757 25269
514 1 3 . 1 1 31 31 VAL H H 31 7.584 7.584 7.995 -0.411 25269
515 1 3 . 1 1 32 32 LYS N N 32 123.707 123.707 120.163 3.544 25269
516 1 3 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.154 0.042 25269
517 1 3 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.622 -2.342 25269
518 1 3 . 1 1 32 32 LYS CB C 32 30.389 30.389 33.312 -2.923 25269
519 1 3 . 1 1 32 32 LYS H H 32 8.002 8.002 8.009 -0.007 25269
520 1 3 . 1 1 33 33 HIS N N 33 119.228 119.228 117.146 2.082 25269
521 1 3 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.748 -0.130 25269
522 1 3 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.373 -3.020 25269
523 1 3 . 1 1 33 33 HIS CB C 33 26.559 26.559 32.011 -5.452 25269
524 1 3 . 1 1 33 33 HIS H H 33 8.205 8.205 8.201 0.004 25269
525 1 3 . 1 1 34 34 SER N N 34 114.324 114.324 115.423 -1.099 25269
526 1 3 . 1 1 34 34 SER HA H 34 4.329 4.329 4.830 -0.501 25269
527 1 3 . 1 1 34 34 SER CA C 34 55.392 55.392 57.573 -2.181 25269
528 1 3 . 1 1 34 34 SER CB C 34 61.072 61.072 64.162 -3.090 25269
529 1 3 . 1 1 34 34 SER H H 34 7.814 7.814 8.625 -0.811 25269
530 1 3 . 1 1 35 35 SER N N 35 117.133 117.133 120.872 -3.739 25269
531 1 3 . 1 1 35 35 SER HA H 35 4.392 4.392 4.509 -0.117 25269
532 1 3 . 1 1 35 35 SER CA C 35 55.618 55.618 59.549 -3.931 25269
533 1 3 . 1 1 35 35 SER CB C 35 61.247 61.247 63.632 -2.385 25269
534 1 3 . 1 1 35 35 SER H H 35 8.185 8.185 8.905 -0.720 25269
535 1 3 . 1 1 36 36 GLY N N 36 107.839 107.839 108.278 -0.439 25269
536 1 3 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.891 -2.468 25269
537 1 3 . 1 1 36 36 GLY H H 36 8.021 8.021 7.672 0.349 25269
538 1 3 . 1 1 37 37 GLY N N 37 109.587 109.587 108.153 1.434 25269
539 1 3 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.422 -1.835 25269
540 1 3 . 1 1 37 37 GLY H H 37 8.159 8.159 8.234 -0.075 25269
541 1 3 . 1 1 38 38 GLY N N 38 107.839 107.839 107.685 0.154 25269
542 1 3 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.847 -2.424 25269
543 1 3 . 1 1 38 38 GLY H H 38 8.047 8.047 8.156 -0.109 25269
544 1 3 . 1 1 39 39 GLY N N 39 107.993 107.993 110.287 -2.294 25269
545 1 3 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.087 -2.544 25269
546 1 3 . 1 1 39 39 GLY H H 39 8.095 8.095 8.193 -0.098 25269
547 1 3 . 1 1 40 40 SER N N 40 116.643 116.643 119.054 -2.411 25269
548 1 3 . 1 1 40 40 SER HA H 40 4.394 4.394 4.842 -0.448 25269
549 1 3 . 1 1 40 40 SER CA C 40 55.388 55.388 56.728 -1.340 25269
550 1 3 . 1 1 40 40 SER CB C 40 61.227 61.227 64.124 -2.897 25269
551 1 3 . 1 1 40 40 SER H H 40 8.079 8.079 8.478 -0.399 25269
552 1 3 . 1 1 41 41 TYR N N 41 120.646 120.646 126.251 -5.605 25269
553 1 3 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.261 0.190 25269
554 1 3 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.618 -4.494 25269
555 1 3 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.050 -2.037 25269
556 1 3 . 1 1 41 41 TYR H H 41 7.854 7.854 9.216 -1.362 25269
557 1 3 . 1 1 42 42 HIS N N 42 118.252 118.252 118.377 -0.125 25269
558 1 3 . 1 1 42 42 HIS HA H 42 4.607 4.607 3.990 0.617 25269
559 1 3 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.410 -3.490 25269
560 1 3 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.860 -2.752 25269
561 1 3 . 1 1 42 42 HIS H H 42 7.806 7.806 7.570 0.236 25269
562 1 4 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.187 -0.052 25269
563 1 4 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.878 -1.773 25269
564 1 4 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.688 -2.635 25269
565 1 4 . 1 1 3 3 ALA N N 3 124.626 124.626 119.098 5.528 25269
566 1 4 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.075 0.097 25269
567 1 4 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.120 -2.530 25269
568 1 4 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.795 -2.885 25269
569 1 4 . 1 1 3 3 ALA H H 3 8.259 8.259 8.295 -0.036 25269
570 1 4 . 1 1 4 4 TRP N N 4 117.335 117.335 112.782 4.553 25269
571 1 4 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.746 -0.477 25269
572 1 4 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.260 4.834 25269
573 1 4 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.756 -1.514 25269
574 1 4 . 1 1 4 4 TRP H H 4 7.581 7.581 6.827 0.754 25269
575 1 4 . 1 1 5 5 CYS N N 5 117.878 117.878 118.703 -0.825 25269
576 1 4 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.788 -0.584 25269
577 1 4 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.577 -3.464 25269
578 1 4 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.209 6.163 25269
579 1 4 . 1 1 5 5 CYS H H 5 7.880 7.880 7.133 0.747 25269
580 1 4 . 1 1 6 6 TRP N N 6 120.116 120.116 121.570 -1.454 25269
581 1 4 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.410 0.969 25269
582 1 4 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.452 -3.406 25269
583 1 4 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.544 -2.996 25269
584 1 4 . 1 1 6 6 TRP H H 6 7.514 7.514 8.371 -0.857 25269
585 1 4 . 1 1 7 7 TYR N N 7 117.617 117.617 114.806 2.811 25269
586 1 4 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.143 0.063 25269
587 1 4 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.693 -1.337 25269
588 1 4 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.223 -1.631 25269
589 1 4 . 1 1 7 7 TYR H H 7 7.758 7.758 8.496 -0.738 25269
590 1 4 . 1 1 8 8 THR N N 8 114.013 114.013 108.225 5.788 25269
591 1 4 . 1 1 8 8 THR HA H 8 3.807 3.807 4.198 -0.391 25269
592 1 4 . 1 1 8 8 THR CA C 8 63.506 63.506 63.237 0.269 25269
593 1 4 . 1 1 8 8 THR CB C 8 65.965 65.965 67.446 -1.481 25269
594 1 4 . 1 1 8 8 THR H H 8 7.843 7.843 8.486 -0.643 25269
595 1 4 . 1 1 9 9 LEU N N 9 121.631 121.631 121.273 0.358 25269
596 1 4 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.295 -0.355 25269
597 1 4 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.328 -0.937 25269
598 1 4 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.704 -4.029 25269
599 1 4 . 1 1 9 9 LEU H H 9 7.750 7.750 7.957 -0.207 25269
600 1 4 . 1 1 10 10 ALA N N 10 120.229 120.229 119.040 1.189 25269
601 1 4 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.902 0.103 25269
602 1 4 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.788 -1.154 25269
603 1 4 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.224 -1.665 25269
604 1 4 . 1 1 10 10 ALA H H 10 7.592 7.592 8.097 -0.505 25269
605 1 4 . 1 1 11 11 MET N N 11 114.827 114.827 115.234 -0.407 25269
606 1 4 . 1 1 11 11 MET HA H 11 3.800 3.800 3.707 0.093 25269
607 1 4 . 1 1 11 11 MET CA C 11 55.416 55.416 55.450 -0.034 25269
608 1 4 . 1 1 11 11 MET CB C 11 30.203 30.203 32.407 -2.204 25269
609 1 4 . 1 1 11 11 MET H H 11 7.788 7.788 8.062 -0.274 25269
610 1 4 . 1 1 12 12 CYS N N 12 117.096 117.096 117.495 -0.399 25269
611 1 4 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.595 -0.034 25269
612 1 4 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.306 -2.755 25269
613 1 4 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.466 11.267 25269
614 1 4 . 1 1 12 12 CYS H H 12 8.155 8.155 7.427 0.728 25269
615 1 4 . 1 1 13 13 GLY N N 13 108.467 108.467 111.593 -3.126 25269
616 1 4 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.023 -2.554 25269
617 1 4 . 1 1 13 13 GLY H H 13 8.112 8.112 8.726 -0.614 25269
618 1 4 . 1 1 14 14 ALA N N 14 121.448 121.448 121.364 0.084 25269
619 1 4 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.469 -0.169 25269
620 1 4 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.472 -2.010 25269
621 1 4 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.435 -3.088 25269
622 1 4 . 1 1 14 14 ALA H H 14 7.662 7.662 7.918 -0.256 25269
623 1 4 . 1 1 15 15 GLY N N 15 104.928 104.928 107.233 -2.305 25269
624 1 4 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.267 -3.536 25269
625 1 4 . 1 1 15 15 GLY H H 15 7.695 7.695 8.370 -0.675 25269
626 1 4 . 1 1 16 16 TYR N N 16 118.658 118.658 119.373 -0.715 25269
627 1 4 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.434 0.031 25269
628 1 4 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.764 -4.545 25269
629 1 4 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.577 -3.518 25269
630 1 4 . 1 1 16 16 TYR H H 16 7.604 7.604 8.179 -0.575 25269
631 1 4 . 1 1 17 17 ASP N N 17 118.647 118.647 116.871 1.776 25269
632 1 4 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.786 -0.182 25269
633 1 4 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.394 -3.096 25269
634 1 4 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.955 -6.883 25269
635 1 4 . 1 1 17 17 ASP H H 17 7.919 7.919 7.755 0.164 25269
636 1 4 . 1 1 18 18 SER N N 18 116.466 116.466 116.624 -0.158 25269
637 1 4 . 1 1 18 18 SER HA H 18 4.272 4.272 4.483 -0.211 25269
638 1 4 . 1 1 18 18 SER CA C 18 55.383 55.383 58.328 -2.945 25269
639 1 4 . 1 1 18 18 SER CB C 18 67.330 67.330 61.583 5.747 25269
640 1 4 . 1 1 18 18 SER H H 18 8.039 8.039 8.572 -0.533 25269
641 1 4 . 1 1 19 19 GLY N N 19 111.185 111.185 110.234 0.951 25269
642 1 4 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.132 -1.858 25269
643 1 4 . 1 1 19 19 GLY H H 19 8.331 8.331 8.091 0.240 25269
644 1 4 . 1 1 20 20 THR N N 20 116.439 116.439 113.954 2.485 25269
645 1 4 . 1 1 20 20 THR HA H 20 4.110 4.110 4.441 -0.331 25269
646 1 4 . 1 1 20 20 THR CA C 20 62.430 62.430 62.199 0.231 25269
647 1 4 . 1 1 20 20 THR CB C 20 65.863 65.863 70.277 -4.414 25269
648 1 4 . 1 1 20 20 THR H H 20 7.850 7.850 7.784 0.066 25269
649 1 4 . 1 1 21 21 CYS N N 21 119.701 119.701 124.676 -4.975 25269
650 1 4 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.642 -0.369 25269
651 1 4 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.198 -2.834 25269
652 1 4 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.299 7.717 25269
653 1 4 . 1 1 21 21 CYS H H 21 8.037 8.037 8.873 -0.836 25269
654 1 4 . 1 1 22 22 ASP N N 22 119.085 119.085 118.991 0.094 25269
655 1 4 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.563 -0.111 25269
656 1 4 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.803 -0.876 25269
657 1 4 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.830 -5.747 25269
658 1 4 . 1 1 22 22 ASP H H 22 8.447 8.447 8.406 0.041 25269
659 1 4 . 1 1 23 23 TYR N N 23 121.546 121.546 121.396 0.150 25269
660 1 4 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.444 -0.319 25269
661 1 4 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.129 -2.824 25269
662 1 4 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.909 -2.186 25269
663 1 4 . 1 1 23 23 TYR H H 23 8.037 8.037 7.900 0.137 25269
664 1 4 . 1 1 24 24 MET N N 24 120.054 120.054 116.592 3.462 25269
665 1 4 . 1 1 24 24 MET HA H 24 4.123 4.123 4.362 -0.239 25269
666 1 4 . 1 1 24 24 MET CA C 24 56.163 56.163 58.250 -2.087 25269
667 1 4 . 1 1 24 24 MET CB C 24 28.747 28.747 30.540 -1.792 25269
668 1 4 . 1 1 24 24 MET H H 24 8.459 8.459 8.150 0.309 25269
669 1 4 . 1 1 25 25 TYR N N 25 120.358 120.358 120.279 0.079 25269
670 1 4 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.368 -0.244 25269
671 1 4 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.980 -0.335 25269
672 1 4 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.745 -2.235 25269
673 1 4 . 1 1 25 25 TYR H H 25 8.909 8.909 7.577 1.332 25269
674 1 4 . 1 1 26 26 SER N N 26 112.447 112.447 113.088 -0.641 25269
675 1 4 . 1 1 26 26 SER HA H 26 4.124 4.124 4.623 -0.499 25269
676 1 4 . 1 1 26 26 SER CA C 26 58.949 58.949 58.265 0.684 25269
677 1 4 . 1 1 26 26 SER CB C 26 60.889 60.889 62.641 -1.752 25269
678 1 4 . 1 1 26 26 SER H H 26 8.039 8.039 7.484 0.555 25269
679 1 4 . 1 1 27 27 HIS N N 27 116.202 116.202 115.400 0.802 25269
680 1 4 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.406 -0.182 25269
681 1 4 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.242 -1.836 25269
682 1 4 . 1 1 27 27 HIS CB C 27 25.552 25.552 26.744 -1.192 25269
683 1 4 . 1 1 27 27 HIS H H 27 7.790 7.790 8.325 -0.535 25269
684 1 4 . 1 1 28 28 CYS N N 28 115.699 115.699 116.255 -0.556 25269
685 1 4 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.829 -0.604 25269
686 1 4 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.695 -4.301 25269
687 1 4 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.765 10.714 25269
688 1 4 . 1 1 28 28 CYS H H 28 8.096 8.096 8.125 -0.029 25269
689 1 4 . 1 1 29 29 PHE N N 29 115.898 115.898 119.093 -3.195 25269
690 1 4 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.958 -0.360 25269
691 1 4 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.846 -2.793 25269
692 1 4 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.928 -3.458 25269
693 1 4 . 1 1 29 29 PHE H H 29 7.682 7.682 7.832 -0.150 25269
694 1 4 . 1 1 30 30 GLY N N 30 107.941 107.941 107.973 -0.032 25269
695 1 4 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.211 -3.317 25269
696 1 4 . 1 1 30 30 GLY H H 30 7.577 7.577 8.762 -1.185 25269
697 1 4 . 1 1 31 31 VAL N N 31 115.625 115.625 112.146 3.479 25269
698 1 4 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.244 -0.196 25269
699 1 4 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.265 -3.270 25269
700 1 4 . 1 1 31 31 VAL CB C 31 30.343 30.343 31.779 -1.436 25269
701 1 4 . 1 1 31 31 VAL H H 31 7.584 7.584 8.001 -0.417 25269
702 1 4 . 1 1 32 32 LYS N N 32 123.707 123.707 120.507 3.200 25269
703 1 4 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.858 0.338 25269
704 1 4 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.671 -3.391 25269
705 1 4 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.131 -1.742 25269
706 1 4 . 1 1 32 32 LYS H H 32 8.002 8.002 7.686 0.316 25269
707 1 4 . 1 1 33 33 HIS N N 33 119.228 119.228 121.227 -1.999 25269
708 1 4 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.564 0.054 25269
709 1 4 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.917 -3.564 25269
710 1 4 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.640 -5.081 25269
711 1 4 . 1 1 33 33 HIS H H 33 8.205 8.205 7.961 0.244 25269
712 1 4 . 1 1 34 34 SER N N 34 114.324 114.324 116.946 -2.622 25269
713 1 4 . 1 1 34 34 SER HA H 34 4.329 4.329 4.028 0.301 25269
714 1 4 . 1 1 34 34 SER CA C 34 55.392 55.392 58.638 -3.245 25269
715 1 4 . 1 1 34 34 SER CB C 34 61.072 61.072 62.987 -1.915 25269
716 1 4 . 1 1 34 34 SER H H 34 7.814 7.814 8.243 -0.429 25269
717 1 4 . 1 1 35 35 SER N N 35 117.133 117.133 115.020 2.113 25269
718 1 4 . 1 1 35 35 SER HA H 35 4.392 4.392 4.542 -0.150 25269
719 1 4 . 1 1 35 35 SER CA C 35 55.618 55.618 58.464 -2.846 25269
720 1 4 . 1 1 35 35 SER CB C 35 61.247 61.247 64.458 -3.211 25269
721 1 4 . 1 1 35 35 SER H H 35 8.185 8.185 8.137 0.048 25269
722 1 4 . 1 1 36 36 GLY N N 36 107.839 107.839 110.454 -2.615 25269
723 1 4 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.390 -2.967 25269
724 1 4 . 1 1 36 36 GLY H H 36 8.021 8.021 8.461 -0.440 25269
725 1 4 . 1 1 37 37 GLY N N 37 109.587 109.587 109.886 -0.299 25269
726 1 4 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.755 -3.168 25269
727 1 4 . 1 1 37 37 GLY H H 37 8.159 8.159 7.948 0.211 25269
728 1 4 . 1 1 38 38 GLY N N 38 107.839 107.839 113.270 -5.431 25269
729 1 4 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.517 -2.094 25269
730 1 4 . 1 1 38 38 GLY H H 38 8.047 8.047 7.836 0.211 25269
731 1 4 . 1 1 39 39 GLY N N 39 107.993 107.993 110.093 -2.100 25269
732 1 4 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.926 -2.383 25269
733 1 4 . 1 1 39 39 GLY H H 39 8.095 8.095 7.784 0.311 25269
734 1 4 . 1 1 40 40 SER N N 40 116.643 116.643 118.680 -2.037 25269
735 1 4 . 1 1 40 40 SER HA H 40 4.394 4.394 4.475 -0.081 25269
736 1 4 . 1 1 40 40 SER CA C 40 55.388 55.388 59.129 -3.741 25269
737 1 4 . 1 1 40 40 SER CB C 40 61.227 61.227 63.960 -2.733 25269
738 1 4 . 1 1 40 40 SER H H 40 8.079 8.079 8.387 -0.308 25269
739 1 4 . 1 1 41 41 TYR N N 41 120.646 120.646 127.765 -7.119 25269
740 1 4 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.299 0.152 25269
741 1 4 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.136 -4.011 25269
742 1 4 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.654 -1.641 25269
743 1 4 . 1 1 41 41 TYR H H 41 7.854 7.854 8.995 -1.141 25269
744 1 4 . 1 1 42 42 HIS N N 42 118.252 118.252 118.292 -0.040 25269
745 1 4 . 1 1 42 42 HIS HA H 42 4.607 4.607 3.840 0.767 25269
746 1 4 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.381 -4.461 25269
747 1 4 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.947 -2.839 25269
748 1 4 . 1 1 42 42 HIS H H 42 7.806 7.806 8.342 -0.536 25269
749 1 5 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.153 -0.018 25269
750 1 5 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.936 -1.831 25269
751 1 5 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.467 -2.414 25269
752 1 5 . 1 1 3 3 ALA N N 3 124.626 124.626 118.974 5.652 25269
753 1 5 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.128 0.044 25269
754 1 5 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.945 -2.355 25269
755 1 5 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.833 -2.923 25269
756 1 5 . 1 1 3 3 ALA H H 3 8.259 8.259 8.262 -0.003 25269
757 1 5 . 1 1 4 4 TRP N N 4 117.335 117.335 112.996 4.339 25269
758 1 5 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.704 -0.435 25269
759 1 5 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.112 4.982 25269
760 1 5 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.630 -1.388 25269
761 1 5 . 1 1 4 4 TRP H H 4 7.581 7.581 6.844 0.737 25269
762 1 5 . 1 1 5 5 CYS N N 5 117.878 117.878 118.710 -0.832 25269
763 1 5 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.777 -0.573 25269
764 1 5 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.536 -3.423 25269
765 1 5 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.150 6.222 25269
766 1 5 . 1 1 5 5 CYS H H 5 7.880 7.880 7.094 0.786 25269
767 1 5 . 1 1 6 6 TRP N N 6 120.116 120.116 121.519 -1.403 25269
768 1 5 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.303 1.076 25269
769 1 5 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.361 -3.316 25269
770 1 5 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.574 -3.026 25269
771 1 5 . 1 1 6 6 TRP H H 6 7.514 7.514 8.349 -0.835 25269
772 1 5 . 1 1 7 7 TYR N N 7 117.617 117.617 114.948 2.669 25269
773 1 5 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.136 0.070 25269
774 1 5 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.246 -0.890 25269
775 1 5 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.210 -1.618 25269
776 1 5 . 1 1 7 7 TYR H H 7 7.758 7.758 8.422 -0.664 25269
777 1 5 . 1 1 8 8 THR N N 8 114.013 114.013 106.834 7.179 25269
778 1 5 . 1 1 8 8 THR HA H 8 3.807 3.807 4.220 -0.413 25269
779 1 5 . 1 1 8 8 THR CA C 8 63.506 63.506 63.466 0.040 25269
780 1 5 . 1 1 8 8 THR CB C 8 65.965 65.965 67.304 -1.339 25269
781 1 5 . 1 1 8 8 THR H H 8 7.843 7.843 8.469 -0.626 25269
782 1 5 . 1 1 9 9 LEU N N 9 121.631 121.631 121.497 0.134 25269
783 1 5 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.327 -0.387 25269
784 1 5 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.156 -0.765 25269
785 1 5 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.565 -3.890 25269
786 1 5 . 1 1 9 9 LEU H H 9 7.750 7.750 7.921 -0.171 25269
787 1 5 . 1 1 10 10 ALA N N 10 120.229 120.229 119.033 1.196 25269
788 1 5 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.931 0.074 25269
789 1 5 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.838 -1.204 25269
790 1 5 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.327 -1.769 25269
791 1 5 . 1 1 10 10 ALA H H 10 7.592 7.592 8.063 -0.471 25269
792 1 5 . 1 1 11 11 MET N N 11 114.827 114.827 115.124 -0.297 25269
793 1 5 . 1 1 11 11 MET HA H 11 3.800 3.800 3.949 -0.149 25269
794 1 5 . 1 1 11 11 MET CA C 11 55.416 55.416 55.528 -0.112 25269
795 1 5 . 1 1 11 11 MET CB C 11 30.203 30.203 32.318 -2.115 25269
796 1 5 . 1 1 11 11 MET H H 11 7.788 7.788 8.163 -0.375 25269
797 1 5 . 1 1 12 12 CYS N N 12 117.096 117.096 117.257 -0.161 25269
798 1 5 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.617 -0.056 25269
799 1 5 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.555 -3.004 25269
800 1 5 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.534 11.199 25269
801 1 5 . 1 1 12 12 CYS H H 12 8.155 8.155 7.506 0.649 25269
802 1 5 . 1 1 13 13 GLY N N 13 108.467 108.467 111.457 -2.990 25269
803 1 5 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.035 -2.566 25269
804 1 5 . 1 1 13 13 GLY H H 13 8.112 8.112 8.730 -0.618 25269
805 1 5 . 1 1 14 14 ALA N N 14 121.448 121.448 121.392 0.056 25269
806 1 5 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.484 -0.184 25269
807 1 5 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.343 -1.880 25269
808 1 5 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.400 -3.053 25269
809 1 5 . 1 1 14 14 ALA H H 14 7.662 7.662 7.845 -0.183 25269
810 1 5 . 1 1 15 15 GLY N N 15 104.928 104.928 107.192 -2.264 25269
811 1 5 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.405 -3.674 25269
812 1 5 . 1 1 15 15 GLY H H 15 7.695 7.695 8.361 -0.666 25269
813 1 5 . 1 1 16 16 TYR N N 16 118.658 118.658 119.387 -0.729 25269
814 1 5 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.518 -0.053 25269
815 1 5 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.421 -4.202 25269
816 1 5 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.817 -3.758 25269
817 1 5 . 1 1 16 16 TYR H H 16 7.604 7.604 8.130 -0.526 25269
818 1 5 . 1 1 17 17 ASP N N 17 118.647 118.647 117.351 1.296 25269
819 1 5 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.816 -0.212 25269
820 1 5 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.259 -2.961 25269
821 1 5 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.150 -7.078 25269
822 1 5 . 1 1 17 17 ASP H H 17 7.919 7.919 7.854 0.065 25269
823 1 5 . 1 1 18 18 SER N N 18 116.466 116.466 116.238 0.228 25269
824 1 5 . 1 1 18 18 SER HA H 18 4.272 4.272 4.490 -0.218 25269
825 1 5 . 1 1 18 18 SER CA C 18 55.383 55.383 58.264 -2.881 25269
826 1 5 . 1 1 18 18 SER CB C 18 67.330 67.330 61.827 5.503 25269
827 1 5 . 1 1 18 18 SER H H 18 8.039 8.039 8.539 -0.500 25269
828 1 5 . 1 1 19 19 GLY N N 19 111.185 111.185 110.485 0.700 25269
829 1 5 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.113 -1.839 25269
830 1 5 . 1 1 19 19 GLY H H 19 8.331 8.331 7.992 0.339 25269
831 1 5 . 1 1 20 20 THR N N 20 116.439 116.439 113.762 2.677 25269
832 1 5 . 1 1 20 20 THR HA H 20 4.110 4.110 4.476 -0.366 25269
833 1 5 . 1 1 20 20 THR CA C 20 62.430 62.430 62.387 0.043 25269
834 1 5 . 1 1 20 20 THR CB C 20 65.863 65.863 70.191 -4.328 25269
835 1 5 . 1 1 20 20 THR H H 20 7.850 7.850 7.784 0.066 25269
836 1 5 . 1 1 21 21 CYS N N 21 119.701 119.701 124.613 -4.912 25269
837 1 5 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.632 -0.359 25269
838 1 5 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.979 -2.615 25269
839 1 5 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.838 7.178 25269
840 1 5 . 1 1 21 21 CYS H H 21 8.037 8.037 8.858 -0.821 25269
841 1 5 . 1 1 22 22 ASP N N 22 119.085 119.085 118.623 0.462 25269
842 1 5 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.570 -0.118 25269
843 1 5 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.811 -0.884 25269
844 1 5 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.918 -5.835 25269
845 1 5 . 1 1 22 22 ASP H H 22 8.447 8.447 8.090 0.357 25269
846 1 5 . 1 1 23 23 TYR N N 23 121.546 121.546 121.215 0.331 25269
847 1 5 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.403 -0.278 25269
848 1 5 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.804 -2.499 25269
849 1 5 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.847 -2.124 25269
850 1 5 . 1 1 23 23 TYR H H 23 8.037 8.037 7.820 0.217 25269
851 1 5 . 1 1 24 24 MET N N 24 120.054 120.054 116.574 3.480 25269
852 1 5 . 1 1 24 24 MET HA H 24 4.123 4.123 4.296 -0.173 25269
853 1 5 . 1 1 24 24 MET CA C 24 56.163 56.163 58.156 -1.992 25269
854 1 5 . 1 1 24 24 MET CB C 24 28.747 28.747 30.441 -1.694 25269
855 1 5 . 1 1 24 24 MET H H 24 8.459 8.459 8.121 0.338 25269
856 1 5 . 1 1 25 25 TYR N N 25 120.358 120.358 120.565 -0.207 25269
857 1 5 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.377 -0.253 25269
858 1 5 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.543 0.102 25269
859 1 5 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.849 -2.339 25269
860 1 5 . 1 1 25 25 TYR H H 25 8.909 8.909 7.586 1.323 25269
861 1 5 . 1 1 26 26 SER N N 26 112.447 112.447 113.618 -1.171 25269
862 1 5 . 1 1 26 26 SER HA H 26 4.124 4.124 4.551 -0.427 25269
863 1 5 . 1 1 26 26 SER CA C 26 58.949 58.949 58.305 0.644 25269
864 1 5 . 1 1 26 26 SER CB C 26 60.889 60.889 63.143 -2.254 25269
865 1 5 . 1 1 26 26 SER H H 26 8.039 8.039 7.511 0.528 25269
866 1 5 . 1 1 27 27 HIS N N 27 116.202 116.202 116.296 -0.094 25269
867 1 5 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.373 -0.149 25269
868 1 5 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.104 -1.698 25269
869 1 5 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.995 -2.443 25269
870 1 5 . 1 1 27 27 HIS H H 27 7.790 7.790 8.173 -0.383 25269
871 1 5 . 1 1 28 28 CYS N N 28 115.699 115.699 116.143 -0.444 25269
872 1 5 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.699 -0.474 25269
873 1 5 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.715 -4.321 25269
874 1 5 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.412 11.067 25269
875 1 5 . 1 1 28 28 CYS H H 28 8.096 8.096 8.120 -0.024 25269
876 1 5 . 1 1 29 29 PHE N N 29 115.898 115.898 118.980 -3.082 25269
877 1 5 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.891 -0.293 25269
878 1 5 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.736 -2.683 25269
879 1 5 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.823 -3.353 25269
880 1 5 . 1 1 29 29 PHE H H 29 7.682 7.682 7.797 -0.115 25269
881 1 5 . 1 1 30 30 GLY N N 30 107.941 107.941 107.876 0.065 25269
882 1 5 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.554 -3.660 25269
883 1 5 . 1 1 30 30 GLY H H 30 7.577 7.577 8.771 -1.194 25269
884 1 5 . 1 1 31 31 VAL N N 31 115.625 115.625 114.136 1.489 25269
885 1 5 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.229 -0.181 25269
886 1 5 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.849 -3.854 25269
887 1 5 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.297 -1.954 25269
888 1 5 . 1 1 31 31 VAL H H 31 7.584 7.584 8.192 -0.608 25269
889 1 5 . 1 1 32 32 LYS N N 32 123.707 123.707 120.303 3.404 25269
890 1 5 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.955 0.241 25269
891 1 5 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.612 -3.332 25269
892 1 5 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.259 -1.870 25269
893 1 5 . 1 1 32 32 LYS H H 32 8.002 8.002 7.766 0.236 25269
894 1 5 . 1 1 33 33 HIS N N 33 119.228 119.228 119.429 -0.201 25269
895 1 5 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.757 -0.139 25269
896 1 5 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.608 -3.255 25269
897 1 5 . 1 1 33 33 HIS CB C 33 26.559 26.559 32.101 -5.542 25269
898 1 5 . 1 1 33 33 HIS H H 33 8.205 8.205 8.568 -0.363 25269
899 1 5 . 1 1 34 34 SER N N 34 114.324 114.324 120.746 -6.422 25269
900 1 5 . 1 1 34 34 SER HA H 34 4.329 4.329 4.530 -0.201 25269
901 1 5 . 1 1 34 34 SER CA C 34 55.392 55.392 57.452 -2.060 25269
902 1 5 . 1 1 34 34 SER CB C 34 61.072 61.072 64.330 -3.258 25269
903 1 5 . 1 1 34 34 SER H H 34 7.814 7.814 8.000 -0.186 25269
904 1 5 . 1 1 35 35 SER N N 35 117.133 117.133 115.568 1.565 25269
905 1 5 . 1 1 35 35 SER HA H 35 4.392 4.392 4.562 -0.170 25269
906 1 5 . 1 1 35 35 SER CA C 35 55.618 55.618 57.770 -2.152 25269
907 1 5 . 1 1 35 35 SER CB C 35 61.247 61.247 63.907 -2.660 25269
908 1 5 . 1 1 35 35 SER H H 35 8.185 8.185 8.321 -0.136 25269
909 1 5 . 1 1 36 36 GLY N N 36 107.839 107.839 110.112 -2.273 25269
910 1 5 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.795 -3.372 25269
911 1 5 . 1 1 36 36 GLY H H 36 8.021 8.021 8.600 -0.579 25269
912 1 5 . 1 1 37 37 GLY N N 37 109.587 109.587 105.865 3.722 25269
913 1 5 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.158 -2.571 25269
914 1 5 . 1 1 37 37 GLY H H 37 8.159 8.159 7.726 0.433 25269
915 1 5 . 1 1 38 38 GLY N N 38 107.839 107.839 107.948 -0.109 25269
916 1 5 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.176 -2.753 25269
917 1 5 . 1 1 38 38 GLY H H 38 8.047 8.047 8.191 -0.144 25269
918 1 5 . 1 1 39 39 GLY N N 39 107.993 107.993 108.150 -0.157 25269
919 1 5 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.486 -1.943 25269
920 1 5 . 1 1 39 39 GLY H H 39 8.095 8.095 7.966 0.129 25269
921 1 5 . 1 1 40 40 SER N N 40 116.643 116.643 116.244 0.399 25269
922 1 5 . 1 1 40 40 SER HA H 40 4.394 4.394 4.673 -0.279 25269
923 1 5 . 1 1 40 40 SER CA C 40 55.388 55.388 57.647 -2.259 25269
924 1 5 . 1 1 40 40 SER CB C 40 61.227 61.227 64.710 -3.483 25269
925 1 5 . 1 1 40 40 SER H H 40 8.079 8.079 8.333 -0.254 25269
926 1 5 . 1 1 41 41 TYR N N 41 120.646 120.646 121.421 -0.775 25269
927 1 5 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.837 -0.386 25269
928 1 5 . 1 1 41 41 TYR CA C 41 55.125 55.125 57.852 -2.728 25269
929 1 5 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.106 -2.093 25269
930 1 5 . 1 1 41 41 TYR H H 41 7.854 7.854 8.123 -0.269 25269
931 1 5 . 1 1 42 42 HIS N N 42 118.252 118.252 118.290 -0.038 25269
932 1 5 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.636 -0.029 25269
933 1 5 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.198 -3.278 25269
934 1 5 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.941 -2.833 25269
935 1 5 . 1 1 42 42 HIS H H 42 7.806 7.806 8.331 -0.525 25269
936 1 6 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.163 -0.028 25269
937 1 6 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.995 -1.890 25269
938 1 6 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.463 -2.410 25269
939 1 6 . 1 1 3 3 ALA N N 3 124.626 124.626 120.232 4.394 25269
940 1 6 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.122 0.050 25269
941 1 6 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.732 -2.142 25269
942 1 6 . 1 1 3 3 ALA CB C 3 15.910 15.910 19.029 -3.119 25269
943 1 6 . 1 1 3 3 ALA H H 3 8.259 8.259 8.154 0.105 25269
944 1 6 . 1 1 4 4 TRP N N 4 117.335 117.335 113.356 3.979 25269
945 1 6 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.693 -0.424 25269
946 1 6 . 1 1 4 4 TRP CA C 4 59.094 59.094 53.771 5.323 25269
947 1 6 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.623 -1.381 25269
948 1 6 . 1 1 4 4 TRP H H 4 7.581 7.581 6.833 0.748 25269
949 1 6 . 1 1 5 5 CYS N N 5 117.878 117.878 118.732 -0.854 25269
950 1 6 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.792 -0.588 25269
951 1 6 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.539 -3.426 25269
952 1 6 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.196 6.176 25269
953 1 6 . 1 1 5 5 CYS H H 5 7.880 7.880 7.105 0.775 25269
954 1 6 . 1 1 6 6 TRP N N 6 120.116 120.116 121.499 -1.383 25269
955 1 6 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.310 1.069 25269
956 1 6 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.385 -3.339 25269
957 1 6 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.579 -3.031 25269
958 1 6 . 1 1 6 6 TRP H H 6 7.514 7.514 8.329 -0.815 25269
959 1 6 . 1 1 7 7 TYR N N 7 117.617 117.617 114.916 2.701 25269
960 1 6 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.142 0.064 25269
961 1 6 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.267 -0.911 25269
962 1 6 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.211 -1.619 25269
963 1 6 . 1 1 7 7 TYR H H 7 7.758 7.758 8.439 -0.681 25269
964 1 6 . 1 1 8 8 THR N N 8 114.013 114.013 106.839 7.174 25269
965 1 6 . 1 1 8 8 THR HA H 8 3.807 3.807 4.218 -0.411 25269
966 1 6 . 1 1 8 8 THR CA C 8 63.506 63.506 63.466 0.040 25269
967 1 6 . 1 1 8 8 THR CB C 8 65.965 65.965 67.308 -1.344 25269
968 1 6 . 1 1 8 8 THR H H 8 7.843 7.843 8.467 -0.624 25269
969 1 6 . 1 1 9 9 LEU N N 9 121.631 121.631 121.539 0.092 25269
970 1 6 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.321 -0.381 25269
971 1 6 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.225 -0.834 25269
972 1 6 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.563 -3.888 25269
973 1 6 . 1 1 9 9 LEU H H 9 7.750 7.750 7.951 -0.201 25269
974 1 6 . 1 1 10 10 ALA N N 10 120.229 120.229 119.030 1.199 25269
975 1 6 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.935 0.070 25269
976 1 6 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.816 -1.182 25269
977 1 6 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.347 -1.789 25269
978 1 6 . 1 1 10 10 ALA H H 10 7.592 7.592 8.086 -0.494 25269
979 1 6 . 1 1 11 11 MET N N 11 114.827 114.827 115.238 -0.411 25269
980 1 6 . 1 1 11 11 MET HA H 11 3.800 3.800 3.910 -0.110 25269
981 1 6 . 1 1 11 11 MET CA C 11 55.416 55.416 55.366 0.050 25269
982 1 6 . 1 1 11 11 MET CB C 11 30.203 30.203 32.401 -2.198 25269
983 1 6 . 1 1 11 11 MET H H 11 7.788 7.788 8.151 -0.363 25269
984 1 6 . 1 1 12 12 CYS N N 12 117.096 117.096 117.619 -0.523 25269
985 1 6 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.587 -0.026 25269
986 1 6 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.449 -2.898 25269
987 1 6 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.483 11.250 25269
988 1 6 . 1 1 12 12 CYS H H 12 8.155 8.155 7.489 0.666 25269
989 1 6 . 1 1 13 13 GLY N N 13 108.467 108.467 111.399 -2.932 25269
990 1 6 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.056 -2.587 25269
991 1 6 . 1 1 13 13 GLY H H 13 8.112 8.112 8.733 -0.621 25269
992 1 6 . 1 1 14 14 ALA N N 14 121.448 121.448 121.394 0.054 25269
993 1 6 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.487 -0.187 25269
994 1 6 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.301 -1.839 25269
995 1 6 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.395 -3.048 25269
996 1 6 . 1 1 14 14 ALA H H 14 7.662 7.662 7.838 -0.176 25269
997 1 6 . 1 1 15 15 GLY N N 15 104.928 104.928 107.223 -2.295 25269
998 1 6 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.390 -3.659 25269
999 1 6 . 1 1 15 15 GLY H H 15 7.695 7.695 8.369 -0.674 25269
1000 1 6 . 1 1 16 16 TYR N N 16 118.658 118.658 119.322 -0.664 25269
1001 1 6 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.506 -0.041 25269
1002 1 6 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.498 -4.279 25269
1003 1 6 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.765 -3.706 25269
1004 1 6 . 1 1 16 16 TYR H H 16 7.604 7.604 8.161 -0.557 25269
1005 1 6 . 1 1 17 17 ASP N N 17 118.647 118.647 117.134 1.513 25269
1006 1 6 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.794 -0.190 25269
1007 1 6 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.343 -3.045 25269
1008 1 6 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.833 -6.761 25269
1009 1 6 . 1 1 17 17 ASP H H 17 7.919 7.919 7.777 0.142 25269
1010 1 6 . 1 1 18 18 SER N N 18 116.466 116.466 116.577 -0.111 25269
1011 1 6 . 1 1 18 18 SER HA H 18 4.272 4.272 4.492 -0.220 25269
1012 1 6 . 1 1 18 18 SER CA C 18 55.383 55.383 58.335 -2.952 25269
1013 1 6 . 1 1 18 18 SER CB C 18 67.330 67.330 61.722 5.608 25269
1014 1 6 . 1 1 18 18 SER H H 18 8.039 8.039 8.557 -0.518 25269
1015 1 6 . 1 1 19 19 GLY N N 19 111.185 111.185 110.632 0.553 25269
1016 1 6 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.076 -1.802 25269
1017 1 6 . 1 1 19 19 GLY H H 19 8.331 8.331 8.021 0.310 25269
1018 1 6 . 1 1 20 20 THR N N 20 116.439 116.439 114.304 2.135 25269
1019 1 6 . 1 1 20 20 THR HA H 20 4.110 4.110 4.480 -0.370 25269
1020 1 6 . 1 1 20 20 THR CA C 20 62.430 62.430 62.634 -0.204 25269
1021 1 6 . 1 1 20 20 THR CB C 20 65.863 65.863 70.124 -4.261 25269
1022 1 6 . 1 1 20 20 THR H H 20 7.850 7.850 7.822 0.029 25269
1023 1 6 . 1 1 21 21 CYS N N 21 119.701 119.701 124.694 -4.993 25269
1024 1 6 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.647 -0.374 25269
1025 1 6 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.620 -2.256 25269
1026 1 6 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.564 7.452 25269
1027 1 6 . 1 1 21 21 CYS H H 21 8.037 8.037 8.716 -0.679 25269
1028 1 6 . 1 1 22 22 ASP N N 22 119.085 119.085 118.985 0.100 25269
1029 1 6 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.588 -0.136 25269
1030 1 6 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.507 -0.580 25269
1031 1 6 . 1 1 22 22 ASP CB C 22 35.083 35.083 41.088 -6.005 25269
1032 1 6 . 1 1 22 22 ASP H H 22 8.447 8.447 8.300 0.147 25269
1033 1 6 . 1 1 23 23 TYR N N 23 121.546 121.546 121.226 0.320 25269
1034 1 6 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.423 -0.298 25269
1035 1 6 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.794 -2.489 25269
1036 1 6 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.867 -2.144 25269
1037 1 6 . 1 1 23 23 TYR H H 23 8.037 8.037 7.820 0.217 25269
1038 1 6 . 1 1 24 24 MET N N 24 120.054 120.054 116.619 3.435 25269
1039 1 6 . 1 1 24 24 MET HA H 24 4.123 4.123 4.324 -0.201 25269
1040 1 6 . 1 1 24 24 MET CA C 24 56.163 56.163 58.207 -2.044 25269
1041 1 6 . 1 1 24 24 MET CB C 24 28.747 28.747 30.484 -1.737 25269
1042 1 6 . 1 1 24 24 MET H H 24 8.459 8.459 8.138 0.321 25269
1043 1 6 . 1 1 25 25 TYR N N 25 120.358 120.358 119.477 0.881 25269
1044 1 6 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.346 -0.222 25269
1045 1 6 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.054 -0.409 25269
1046 1 6 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.730 -2.220 25269
1047 1 6 . 1 1 25 25 TYR H H 25 8.909 8.909 7.512 1.397 25269
1048 1 6 . 1 1 26 26 SER N N 26 112.447 112.447 112.673 -0.226 25269
1049 1 6 . 1 1 26 26 SER HA H 26 4.124 4.124 4.633 -0.509 25269
1050 1 6 . 1 1 26 26 SER CA C 26 58.949 58.949 58.228 0.721 25269
1051 1 6 . 1 1 26 26 SER CB C 26 60.889 60.889 63.166 -2.277 25269
1052 1 6 . 1 1 26 26 SER H H 26 8.039 8.039 7.577 0.462 25269
1053 1 6 . 1 1 27 27 HIS N N 27 116.202 116.202 115.260 0.942 25269
1054 1 6 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.411 -0.187 25269
1055 1 6 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.289 -1.883 25269
1056 1 6 . 1 1 27 27 HIS CB C 27 25.552 25.552 26.860 -1.308 25269
1057 1 6 . 1 1 27 27 HIS H H 27 7.790 7.790 8.238 -0.448 25269
1058 1 6 . 1 1 28 28 CYS N N 28 115.699 115.699 116.249 -0.550 25269
1059 1 6 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.827 -0.602 25269
1060 1 6 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.668 -4.274 25269
1061 1 6 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.722 10.757 25269
1062 1 6 . 1 1 28 28 CYS H H 28 8.096 8.096 8.103 -0.007 25269
1063 1 6 . 1 1 29 29 PHE N N 29 115.898 115.898 119.062 -3.164 25269
1064 1 6 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.891 -0.293 25269
1065 1 6 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.803 -2.750 25269
1066 1 6 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.826 -3.356 25269
1067 1 6 . 1 1 29 29 PHE H H 29 7.682 7.682 7.811 -0.129 25269
1068 1 6 . 1 1 30 30 GLY N N 30 107.941 107.941 107.572 0.369 25269
1069 1 6 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.421 -3.527 25269
1070 1 6 . 1 1 30 30 GLY H H 30 7.577 7.577 8.768 -1.191 25269
1071 1 6 . 1 1 31 31 VAL N N 31 115.625 115.625 113.790 1.835 25269
1072 1 6 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.159 -0.111 25269
1073 1 6 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.376 -3.381 25269
1074 1 6 . 1 1 31 31 VAL CB C 31 30.343 30.343 31.756 -1.413 25269
1075 1 6 . 1 1 31 31 VAL H H 31 7.584 7.584 8.019 -0.435 25269
1076 1 6 . 1 1 32 32 LYS N N 32 123.707 123.707 120.152 3.555 25269
1077 1 6 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.856 0.340 25269
1078 1 6 . 1 1 32 32 LYS CA C 32 53.280 53.280 57.056 -3.776 25269
1079 1 6 . 1 1 32 32 LYS CB C 32 30.389 30.389 31.935 -1.546 25269
1080 1 6 . 1 1 32 32 LYS H H 32 8.002 8.002 7.698 0.304 25269
1081 1 6 . 1 1 33 33 HIS N N 33 119.228 119.228 119.151 0.077 25269
1082 1 6 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.480 0.138 25269
1083 1 6 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.881 -3.528 25269
1084 1 6 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.657 -4.098 25269
1085 1 6 . 1 1 33 33 HIS H H 33 8.205 8.205 8.238 -0.033 25269
1086 1 6 . 1 1 34 34 SER N N 34 114.324 114.324 114.798 -0.474 25269
1087 1 6 . 1 1 34 34 SER HA H 34 4.329 4.329 4.565 -0.236 25269
1088 1 6 . 1 1 34 34 SER CA C 34 55.392 55.392 59.102 -3.711 25269
1089 1 6 . 1 1 34 34 SER CB C 34 61.072 61.072 62.298 -1.226 25269
1090 1 6 . 1 1 34 34 SER H H 34 7.814 7.814 8.664 -0.850 25269
1091 1 6 . 1 1 35 35 SER N N 35 117.133 117.133 116.731 0.402 25269
1092 1 6 . 1 1 35 35 SER HA H 35 4.392 4.392 4.431 -0.039 25269
1093 1 6 . 1 1 35 35 SER CA C 35 55.618 55.618 59.158 -3.540 25269
1094 1 6 . 1 1 35 35 SER CB C 35 61.247 61.247 63.957 -2.710 25269
1095 1 6 . 1 1 35 35 SER H H 35 8.185 8.185 8.350 -0.165 25269
1096 1 6 . 1 1 36 36 GLY N N 36 107.839 107.839 107.607 0.232 25269
1097 1 6 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.786 -2.363 25269
1098 1 6 . 1 1 36 36 GLY H H 36 8.021 8.021 8.179 -0.158 25269
1099 1 6 . 1 1 37 37 GLY N N 37 109.587 109.587 109.185 0.402 25269
1100 1 6 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.420 -1.833 25269
1101 1 6 . 1 1 37 37 GLY H H 37 8.159 8.159 8.182 -0.023 25269
1102 1 6 . 1 1 38 38 GLY N N 38 107.839 107.839 108.920 -1.081 25269
1103 1 6 . 1 1 38 38 GLY CA C 38 42.423 42.423 46.697 -4.274 25269
1104 1 6 . 1 1 38 38 GLY H H 38 8.047 8.047 10.319 -2.272 25269
1105 1 6 . 1 1 39 39 GLY N N 39 107.993 107.993 109.355 -1.362 25269
1106 1 6 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.938 -2.395 25269
1107 1 6 . 1 1 39 39 GLY H H 39 8.095 8.095 7.909 0.186 25269
1108 1 6 . 1 1 40 40 SER N N 40 116.643 116.643 116.926 -0.283 25269
1109 1 6 . 1 1 40 40 SER HA H 40 4.394 4.394 4.331 0.063 25269
1110 1 6 . 1 1 40 40 SER CA C 40 55.388 55.388 57.599 -2.211 25269
1111 1 6 . 1 1 40 40 SER CB C 40 61.227 61.227 63.778 -2.551 25269
1112 1 6 . 1 1 40 40 SER H H 40 8.079 8.079 8.149 -0.070 25269
1113 1 6 . 1 1 41 41 TYR N N 41 120.646 120.646 122.310 -1.664 25269
1114 1 6 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.767 -0.316 25269
1115 1 6 . 1 1 41 41 TYR CA C 41 55.125 55.125 57.434 -2.309 25269
1116 1 6 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.256 -2.243 25269
1117 1 6 . 1 1 41 41 TYR H H 41 7.854 7.854 7.658 0.196 25269
1118 1 6 . 1 1 42 42 HIS N N 42 118.252 118.252 117.959 0.293 25269
1119 1 6 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.712 -0.105 25269
1120 1 6 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.418 -4.498 25269
1121 1 6 . 1 1 42 42 HIS CB C 42 27.108 27.108 30.259 -3.151 25269
1122 1 6 . 1 1 42 42 HIS H H 42 7.806 7.806 7.969 -0.163 25269
1123 1 7 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.183 -0.048 25269
1124 1 7 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.928 -1.823 25269
1125 1 7 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.548 -2.495 25269
1126 1 7 . 1 1 3 3 ALA N N 3 124.626 124.626 119.309 5.317 25269
1127 1 7 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.122 0.050 25269
1128 1 7 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.238 -2.648 25269
1129 1 7 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.814 -2.904 25269
1130 1 7 . 1 1 3 3 ALA H H 3 8.259 8.259 8.317 -0.058 25269
1131 1 7 . 1 1 4 4 TRP N N 4 117.335 117.335 112.899 4.436 25269
1132 1 7 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.674 -0.405 25269
1133 1 7 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.041 5.053 25269
1134 1 7 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.616 -1.374 25269
1135 1 7 . 1 1 4 4 TRP H H 4 7.581 7.581 6.844 0.737 25269
1136 1 7 . 1 1 5 5 CYS N N 5 117.878 117.878 118.651 -0.773 25269
1137 1 7 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.783 -0.579 25269
1138 1 7 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.677 -3.564 25269
1139 1 7 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.347 6.025 25269
1140 1 7 . 1 1 5 5 CYS H H 5 7.880 7.880 7.141 0.739 25269
1141 1 7 . 1 1 6 6 TRP N N 6 120.116 120.116 121.600 -1.484 25269
1142 1 7 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.243 1.136 25269
1143 1 7 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.322 -3.276 25269
1144 1 7 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.566 -3.018 25269
1145 1 7 . 1 1 6 6 TRP H H 6 7.514 7.514 8.319 -0.805 25269
1146 1 7 . 1 1 7 7 TYR N N 7 117.617 117.617 115.050 2.567 25269
1147 1 7 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.136 0.070 25269
1148 1 7 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.205 -0.848 25269
1149 1 7 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.047 -1.455 25269
1150 1 7 . 1 1 7 7 TYR H H 7 7.758 7.758 8.437 -0.679 25269
1151 1 7 . 1 1 8 8 THR N N 8 114.013 114.013 106.573 7.440 25269
1152 1 7 . 1 1 8 8 THR HA H 8 3.807 3.807 4.248 -0.441 25269
1153 1 7 . 1 1 8 8 THR CA C 8 63.506 63.506 63.468 0.038 25269
1154 1 7 . 1 1 8 8 THR CB C 8 65.965 65.965 67.296 -1.331 25269
1155 1 7 . 1 1 8 8 THR H H 8 7.843 7.843 8.489 -0.646 25269
1156 1 7 . 1 1 9 9 LEU N N 9 121.631 121.631 121.368 0.263 25269
1157 1 7 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.281 -0.341 25269
1158 1 7 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.178 -0.787 25269
1159 1 7 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.508 -3.833 25269
1160 1 7 . 1 1 9 9 LEU H H 9 7.750 7.750 7.929 -0.179 25269
1161 1 7 . 1 1 10 10 ALA N N 10 120.229 120.229 118.897 1.332 25269
1162 1 7 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.902 0.103 25269
1163 1 7 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.812 -1.178 25269
1164 1 7 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.273 -1.716 25269
1165 1 7 . 1 1 10 10 ALA H H 10 7.592 7.592 8.038 -0.446 25269
1166 1 7 . 1 1 11 11 MET N N 11 114.827 114.827 115.170 -0.343 25269
1167 1 7 . 1 1 11 11 MET HA H 11 3.800 3.800 3.944 -0.144 25269
1168 1 7 . 1 1 11 11 MET CA C 11 55.416 55.416 55.630 -0.214 25269
1169 1 7 . 1 1 11 11 MET CB C 11 30.203 30.203 32.402 -2.199 25269
1170 1 7 . 1 1 11 11 MET H H 11 7.788 7.788 8.137 -0.349 25269
1171 1 7 . 1 1 12 12 CYS N N 12 117.096 117.096 117.486 -0.390 25269
1172 1 7 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.575 -0.014 25269
1173 1 7 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.500 -2.949 25269
1174 1 7 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.383 11.350 25269
1175 1 7 . 1 1 12 12 CYS H H 12 8.155 8.155 7.483 0.672 25269
1176 1 7 . 1 1 13 13 GLY N N 13 108.467 108.467 111.439 -2.972 25269
1177 1 7 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.057 -2.588 25269
1178 1 7 . 1 1 13 13 GLY H H 13 8.112 8.112 8.721 -0.609 25269
1179 1 7 . 1 1 14 14 ALA N N 14 121.448 121.448 121.418 0.030 25269
1180 1 7 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.489 -0.189 25269
1181 1 7 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.260 -1.797 25269
1182 1 7 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.390 -3.043 25269
1183 1 7 . 1 1 14 14 ALA H H 14 7.662 7.662 7.825 -0.163 25269
1184 1 7 . 1 1 15 15 GLY N N 15 104.928 104.928 107.264 -2.336 25269
1185 1 7 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.411 -3.680 25269
1186 1 7 . 1 1 15 15 GLY H H 15 7.695 7.695 8.363 -0.668 25269
1187 1 7 . 1 1 16 16 TYR N N 16 118.658 118.658 119.170 -0.512 25269
1188 1 7 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.517 -0.052 25269
1189 1 7 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.302 -4.083 25269
1190 1 7 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.854 -3.795 25269
1191 1 7 . 1 1 16 16 TYR H H 16 7.604 7.604 8.175 -0.571 25269
1192 1 7 . 1 1 17 17 ASP N N 17 118.647 118.647 117.113 1.534 25269
1193 1 7 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.723 -0.119 25269
1194 1 7 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.397 -3.099 25269
1195 1 7 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.120 -7.048 25269
1196 1 7 . 1 1 17 17 ASP H H 17 7.919 7.919 7.724 0.195 25269
1197 1 7 . 1 1 18 18 SER N N 18 116.466 116.466 116.178 0.288 25269
1198 1 7 . 1 1 18 18 SER HA H 18 4.272 4.272 4.497 -0.225 25269
1199 1 7 . 1 1 18 18 SER CA C 18 55.383 55.383 57.907 -2.524 25269
1200 1 7 . 1 1 18 18 SER CB C 18 67.330 67.330 61.801 5.529 25269
1201 1 7 . 1 1 18 18 SER H H 18 8.039 8.039 8.495 -0.456 25269
1202 1 7 . 1 1 19 19 GLY N N 19 111.185 111.185 110.676 0.509 25269
1203 1 7 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.254 -1.980 25269
1204 1 7 . 1 1 19 19 GLY H H 19 8.331 8.331 8.025 0.306 25269
1205 1 7 . 1 1 20 20 THR N N 20 116.439 116.439 114.359 2.080 25269
1206 1 7 . 1 1 20 20 THR HA H 20 4.110 4.110 4.423 -0.313 25269
1207 1 7 . 1 1 20 20 THR CA C 20 62.430 62.430 62.369 0.061 25269
1208 1 7 . 1 1 20 20 THR CB C 20 65.863 65.863 70.245 -4.382 25269
1209 1 7 . 1 1 20 20 THR H H 20 7.850 7.850 7.782 0.068 25269
1210 1 7 . 1 1 21 21 CYS N N 21 119.701 119.701 125.073 -5.372 25269
1211 1 7 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.624 -0.351 25269
1212 1 7 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.101 -2.737 25269
1213 1 7 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.110 7.906 25269
1214 1 7 . 1 1 21 21 CYS H H 21 8.037 8.037 8.923 -0.886 25269
1215 1 7 . 1 1 22 22 ASP N N 22 119.085 119.085 118.890 0.195 25269
1216 1 7 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.520 -0.068 25269
1217 1 7 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.804 -0.877 25269
1218 1 7 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.901 -5.818 25269
1219 1 7 . 1 1 22 22 ASP H H 22 8.447 8.447 8.418 0.029 25269
1220 1 7 . 1 1 23 23 TYR N N 23 121.546 121.546 121.206 0.340 25269
1221 1 7 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.449 -0.324 25269
1222 1 7 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.120 -2.816 25269
1223 1 7 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.907 -2.184 25269
1224 1 7 . 1 1 23 23 TYR H H 23 8.037 8.037 7.927 0.110 25269
1225 1 7 . 1 1 24 24 MET N N 24 120.054 120.054 115.685 4.369 25269
1226 1 7 . 1 1 24 24 MET HA H 24 4.123 4.123 4.255 -0.132 25269
1227 1 7 . 1 1 24 24 MET CA C 24 56.163 56.163 58.264 -2.101 25269
1228 1 7 . 1 1 24 24 MET CB C 24 28.747 28.747 30.680 -1.933 25269
1229 1 7 . 1 1 24 24 MET H H 24 8.459 8.459 8.039 0.420 25269
1230 1 7 . 1 1 25 25 TYR N N 25 120.358 120.358 119.114 1.244 25269
1231 1 7 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.229 -0.105 25269
1232 1 7 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.029 -0.383 25269
1233 1 7 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.763 -2.253 25269
1234 1 7 . 1 1 25 25 TYR H H 25 8.909 8.909 7.491 1.418 25269
1235 1 7 . 1 1 26 26 SER N N 26 112.447 112.447 112.843 -0.396 25269
1236 1 7 . 1 1 26 26 SER HA H 26 4.124 4.124 4.493 -0.369 25269
1237 1 7 . 1 1 26 26 SER CA C 26 58.949 58.949 58.395 0.554 25269
1238 1 7 . 1 1 26 26 SER CB C 26 60.889 60.889 63.659 -2.770 25269
1239 1 7 . 1 1 26 26 SER H H 26 8.039 8.039 7.510 0.529 25269
1240 1 7 . 1 1 27 27 HIS N N 27 116.202 116.202 116.521 -0.319 25269
1241 1 7 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.375 -0.151 25269
1242 1 7 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.351 -1.945 25269
1243 1 7 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.021 -1.469 25269
1244 1 7 . 1 1 27 27 HIS H H 27 7.790 7.790 8.154 -0.364 25269
1245 1 7 . 1 1 28 28 CYS N N 28 115.699 115.699 116.334 -0.635 25269
1246 1 7 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.797 -0.572 25269
1247 1 7 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.651 -4.257 25269
1248 1 7 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.690 10.789 25269
1249 1 7 . 1 1 28 28 CYS H H 28 8.096 8.096 8.013 0.083 25269
1250 1 7 . 1 1 29 29 PHE N N 29 115.898 115.898 119.211 -3.313 25269
1251 1 7 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.867 -0.269 25269
1252 1 7 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.470 -2.417 25269
1253 1 7 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.469 -2.999 25269
1254 1 7 . 1 1 29 29 PHE H H 29 7.682 7.682 7.770 -0.088 25269
1255 1 7 . 1 1 30 30 GLY N N 30 107.941 107.941 108.121 -0.180 25269
1256 1 7 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.584 -3.690 25269
1257 1 7 . 1 1 30 30 GLY H H 30 7.577 7.577 8.704 -1.127 25269
1258 1 7 . 1 1 31 31 VAL N N 31 115.625 115.625 112.982 2.643 25269
1259 1 7 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.104 -0.056 25269
1260 1 7 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.529 -3.534 25269
1261 1 7 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.194 -1.851 25269
1262 1 7 . 1 1 31 31 VAL H H 31 7.584 7.584 7.907 -0.323 25269
1263 1 7 . 1 1 32 32 LYS N N 32 123.707 123.707 120.102 3.605 25269
1264 1 7 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.180 0.016 25269
1265 1 7 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.599 -2.319 25269
1266 1 7 . 1 1 32 32 LYS CB C 32 30.389 30.389 33.361 -2.972 25269
1267 1 7 . 1 1 32 32 LYS H H 32 8.002 8.002 7.888 0.114 25269
1268 1 7 . 1 1 33 33 HIS N N 33 119.228 119.228 117.700 1.528 25269
1269 1 7 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.684 -0.066 25269
1270 1 7 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.189 -2.836 25269
1271 1 7 . 1 1 33 33 HIS CB C 33 26.559 26.559 32.439 -5.880 25269
1272 1 7 . 1 1 33 33 HIS H H 33 8.205 8.205 8.304 -0.099 25269
1273 1 7 . 1 1 34 34 SER N N 34 114.324 114.324 117.587 -3.263 25269
1274 1 7 . 1 1 34 34 SER HA H 34 4.329 4.329 4.665 -0.336 25269
1275 1 7 . 1 1 34 34 SER CA C 34 55.392 55.392 58.871 -3.479 25269
1276 1 7 . 1 1 34 34 SER CB C 34 61.072 61.072 63.872 -2.800 25269
1277 1 7 . 1 1 34 34 SER H H 34 7.814 7.814 8.702 -0.888 25269
1278 1 7 . 1 1 35 35 SER N N 35 117.133 117.133 120.246 -3.113 25269
1279 1 7 . 1 1 35 35 SER HA H 35 4.392 4.392 4.613 -0.221 25269
1280 1 7 . 1 1 35 35 SER CA C 35 55.618 55.618 58.215 -2.597 25269
1281 1 7 . 1 1 35 35 SER CB C 35 61.247 61.247 64.136 -2.889 25269
1282 1 7 . 1 1 35 35 SER H H 35 8.185 8.185 8.398 -0.213 25269
1283 1 7 . 1 1 36 36 GLY N N 36 107.839 107.839 109.084 -1.245 25269
1284 1 7 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.843 -2.421 25269
1285 1 7 . 1 1 36 36 GLY H H 36 8.021 8.021 9.029 -1.008 25269
1286 1 7 . 1 1 37 37 GLY N N 37 109.587 109.587 108.501 1.086 25269
1287 1 7 . 1 1 37 37 GLY CA C 37 42.587 42.587 43.990 -1.403 25269
1288 1 7 . 1 1 37 37 GLY H H 37 8.159 8.159 8.286 -0.127 25269
1289 1 7 . 1 1 38 38 GLY N N 38 107.839 107.839 110.846 -3.007 25269
1290 1 7 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.352 -1.929 25269
1291 1 7 . 1 1 38 38 GLY H H 38 8.047 8.047 8.343 -0.296 25269
1292 1 7 . 1 1 39 39 GLY N N 39 107.993 107.993 105.189 2.804 25269
1293 1 7 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.377 -2.834 25269
1294 1 7 . 1 1 39 39 GLY H H 39 8.095 8.095 8.237 -0.142 25269
1295 1 7 . 1 1 40 40 SER N N 40 116.643 116.643 116.615 0.028 25269
1296 1 7 . 1 1 40 40 SER HA H 40 4.394 4.394 4.744 -0.350 25269
1297 1 7 . 1 1 40 40 SER CA C 40 55.388 55.388 57.607 -2.219 25269
1298 1 7 . 1 1 40 40 SER CB C 40 61.227 61.227 63.027 -1.800 25269
1299 1 7 . 1 1 40 40 SER H H 40 8.079 8.079 8.478 -0.399 25269
1300 1 7 . 1 1 41 41 TYR N N 41 120.646 120.646 120.025 0.621 25269
1301 1 7 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.397 0.054 25269
1302 1 7 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.765 -3.640 25269
1303 1 7 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.178 -1.165 25269
1304 1 7 . 1 1 41 41 TYR H H 41 7.854 7.854 8.505 -0.651 25269
1305 1 7 . 1 1 42 42 HIS N N 42 118.252 118.252 119.308 -1.056 25269
1306 1 7 . 1 1 42 42 HIS HA H 42 4.607 4.607 3.832 0.775 25269
1307 1 7 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.472 -4.552 25269
1308 1 7 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.590 -2.482 25269
1309 1 7 . 1 1 42 42 HIS H H 42 7.806 7.806 8.229 -0.423 25269
1310 1 8 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.154 -0.018 25269
1311 1 8 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.944 -1.839 25269
1312 1 8 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.449 -2.396 25269
1313 1 8 . 1 1 3 3 ALA N N 3 124.626 124.626 119.018 5.608 25269
1314 1 8 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.110 0.062 25269
1315 1 8 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.968 -2.378 25269
1316 1 8 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.791 -2.881 25269
1317 1 8 . 1 1 3 3 ALA H H 3 8.259 8.259 8.274 -0.015 25269
1318 1 8 . 1 1 4 4 TRP N N 4 117.335 117.335 112.901 4.434 25269
1319 1 8 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.669 -0.400 25269
1320 1 8 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.132 4.962 25269
1321 1 8 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.640 -1.397 25269
1322 1 8 . 1 1 4 4 TRP H H 4 7.581 7.581 6.825 0.756 25269
1323 1 8 . 1 1 5 5 CYS N N 5 117.878 117.878 118.731 -0.853 25269
1324 1 8 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.761 -0.557 25269
1325 1 8 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.523 -3.410 25269
1326 1 8 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.162 6.210 25269
1327 1 8 . 1 1 5 5 CYS H H 5 7.880 7.880 7.080 0.800 25269
1328 1 8 . 1 1 6 6 TRP N N 6 120.116 120.116 121.519 -1.403 25269
1329 1 8 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.230 1.149 25269
1330 1 8 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.259 -3.213 25269
1331 1 8 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.579 -3.031 25269
1332 1 8 . 1 1 6 6 TRP H H 6 7.514 7.514 8.288 -0.774 25269
1333 1 8 . 1 1 7 7 TYR N N 7 117.617 117.617 115.772 1.845 25269
1334 1 8 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.115 0.091 25269
1335 1 8 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.537 -1.181 25269
1336 1 8 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.908 -1.316 25269
1337 1 8 . 1 1 7 7 TYR H H 7 7.758 7.758 8.372 -0.614 25269
1338 1 8 . 1 1 8 8 THR N N 8 114.013 114.013 106.386 7.627 25269
1339 1 8 . 1 1 8 8 THR HA H 8 3.807 3.807 4.237 -0.430 25269
1340 1 8 . 1 1 8 8 THR CA C 8 63.506 63.506 62.879 0.627 25269
1341 1 8 . 1 1 8 8 THR CB C 8 65.965 65.965 67.611 -1.646 25269
1342 1 8 . 1 1 8 8 THR H H 8 7.843 7.843 8.357 -0.514 25269
1343 1 8 . 1 1 9 9 LEU N N 9 121.631 121.631 121.213 0.418 25269
1344 1 8 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.323 -0.383 25269
1345 1 8 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.431 -1.040 25269
1346 1 8 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.791 -4.116 25269
1347 1 8 . 1 1 9 9 LEU H H 9 7.750 7.750 8.019 -0.269 25269
1348 1 8 . 1 1 10 10 ALA N N 10 120.229 120.229 118.961 1.268 25269
1349 1 8 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.934 0.071 25269
1350 1 8 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.891 -1.257 25269
1351 1 8 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.562 -2.005 25269
1352 1 8 . 1 1 10 10 ALA H H 10 7.592 7.592 8.042 -0.450 25269
1353 1 8 . 1 1 11 11 MET N N 11 114.827 114.827 115.279 -0.452 25269
1354 1 8 . 1 1 11 11 MET HA H 11 3.800 3.800 4.107 -0.307 25269
1355 1 8 . 1 1 11 11 MET CA C 11 55.416 55.416 55.342 0.075 25269
1356 1 8 . 1 1 11 11 MET CB C 11 30.203 30.203 31.822 -1.619 25269
1357 1 8 . 1 1 11 11 MET H H 11 7.788 7.788 8.255 -0.467 25269
1358 1 8 . 1 1 12 12 CYS N N 12 117.096 117.096 118.505 -1.409 25269
1359 1 8 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.586 -0.025 25269
1360 1 8 . 1 1 12 12 CYS CA C 12 55.551 55.551 59.013 -3.462 25269
1361 1 8 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.253 11.480 25269
1362 1 8 . 1 1 12 12 CYS H H 12 8.155 8.155 7.606 0.549 25269
1363 1 8 . 1 1 13 13 GLY N N 13 108.467 108.467 111.449 -2.982 25269
1364 1 8 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.049 -2.580 25269
1365 1 8 . 1 1 13 13 GLY H H 13 8.112 8.112 8.729 -0.617 25269
1366 1 8 . 1 1 14 14 ALA N N 14 121.448 121.448 121.438 0.010 25269
1367 1 8 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.507 -0.207 25269
1368 1 8 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.262 -1.799 25269
1369 1 8 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.416 -3.069 25269
1370 1 8 . 1 1 14 14 ALA H H 14 7.662 7.662 7.844 -0.182 25269
1371 1 8 . 1 1 15 15 GLY N N 15 104.928 104.928 107.323 -2.395 25269
1372 1 8 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.447 -3.716 25269
1373 1 8 . 1 1 15 15 GLY H H 15 7.695 7.695 8.367 -0.672 25269
1374 1 8 . 1 1 16 16 TYR N N 16 118.658 118.658 119.152 -0.494 25269
1375 1 8 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.523 -0.058 25269
1376 1 8 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.280 -4.061 25269
1377 1 8 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.885 -3.826 25269
1378 1 8 . 1 1 16 16 TYR H H 16 7.604 7.604 8.194 -0.590 25269
1379 1 8 . 1 1 17 17 ASP N N 17 118.647 118.647 117.278 1.369 25269
1380 1 8 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.801 -0.197 25269
1381 1 8 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.355 -3.057 25269
1382 1 8 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.030 -6.958 25269
1383 1 8 . 1 1 17 17 ASP H H 17 7.919 7.919 7.794 0.125 25269
1384 1 8 . 1 1 18 18 SER N N 18 116.466 116.466 116.539 -0.073 25269
1385 1 8 . 1 1 18 18 SER HA H 18 4.272 4.272 4.493 -0.221 25269
1386 1 8 . 1 1 18 18 SER CA C 18 55.383 55.383 58.352 -2.969 25269
1387 1 8 . 1 1 18 18 SER CB C 18 67.330 67.330 61.732 5.598 25269
1388 1 8 . 1 1 18 18 SER H H 18 8.039 8.039 8.566 -0.527 25269
1389 1 8 . 1 1 19 19 GLY N N 19 111.185 111.185 110.165 1.020 25269
1390 1 8 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.149 -1.875 25269
1391 1 8 . 1 1 19 19 GLY H H 19 8.331 8.331 8.068 0.263 25269
1392 1 8 . 1 1 20 20 THR N N 20 116.439 116.439 113.971 2.468 25269
1393 1 8 . 1 1 20 20 THR HA H 20 4.110 4.110 4.432 -0.322 25269
1394 1 8 . 1 1 20 20 THR CA C 20 62.430 62.430 62.189 0.241 25269
1395 1 8 . 1 1 20 20 THR CB C 20 65.863 65.863 70.230 -4.367 25269
1396 1 8 . 1 1 20 20 THR H H 20 7.850 7.850 7.768 0.082 25269
1397 1 8 . 1 1 21 21 CYS N N 21 119.701 119.701 124.975 -5.274 25269
1398 1 8 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.622 -0.349 25269
1399 1 8 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.146 -2.782 25269
1400 1 8 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.137 7.879 25269
1401 1 8 . 1 1 21 21 CYS H H 21 8.037 8.037 8.890 -0.853 25269
1402 1 8 . 1 1 22 22 ASP N N 22 119.085 119.085 118.444 0.641 25269
1403 1 8 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.575 -0.123 25269
1404 1 8 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.845 -0.918 25269
1405 1 8 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.836 -5.753 25269
1406 1 8 . 1 1 22 22 ASP H H 22 8.447 8.447 8.089 0.358 25269
1407 1 8 . 1 1 23 23 TYR N N 23 121.546 121.546 121.244 0.302 25269
1408 1 8 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.411 -0.286 25269
1409 1 8 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.788 -2.483 25269
1410 1 8 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.910 -2.187 25269
1411 1 8 . 1 1 23 23 TYR H H 23 8.037 8.037 7.839 0.198 25269
1412 1 8 . 1 1 24 24 MET N N 24 120.054 120.054 116.583 3.471 25269
1413 1 8 . 1 1 24 24 MET HA H 24 4.123 4.123 4.302 -0.179 25269
1414 1 8 . 1 1 24 24 MET CA C 24 56.163 56.163 58.133 -1.970 25269
1415 1 8 . 1 1 24 24 MET CB C 24 28.747 28.747 30.464 -1.717 25269
1416 1 8 . 1 1 24 24 MET H H 24 8.459 8.459 8.130 0.329 25269
1417 1 8 . 1 1 25 25 TYR N N 25 120.358 120.358 120.052 0.306 25269
1418 1 8 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.273 -0.149 25269
1419 1 8 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.115 -0.470 25269
1420 1 8 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.637 -2.127 25269
1421 1 8 . 1 1 25 25 TYR H H 25 8.909 8.909 7.475 1.434 25269
1422 1 8 . 1 1 26 26 SER N N 26 112.447 112.447 112.013 0.434 25269
1423 1 8 . 1 1 26 26 SER HA H 26 4.124 4.124 4.498 -0.374 25269
1424 1 8 . 1 1 26 26 SER CA C 26 58.949 58.949 58.351 0.598 25269
1425 1 8 . 1 1 26 26 SER CB C 26 60.889 60.889 63.199 -2.310 25269
1426 1 8 . 1 1 26 26 SER H H 26 8.039 8.039 7.463 0.576 25269
1427 1 8 . 1 1 27 27 HIS N N 27 116.202 116.202 116.678 -0.476 25269
1428 1 8 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.381 -0.157 25269
1429 1 8 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.089 -1.683 25269
1430 1 8 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.787 -2.235 25269
1431 1 8 . 1 1 27 27 HIS H H 27 7.790 7.790 7.924 -0.134 25269
1432 1 8 . 1 1 28 28 CYS N N 28 115.699 115.699 116.434 -0.735 25269
1433 1 8 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.701 -0.476 25269
1434 1 8 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.602 -4.208 25269
1435 1 8 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.333 11.146 25269
1436 1 8 . 1 1 28 28 CYS H H 28 8.096 8.096 8.096 0.000 25269
1437 1 8 . 1 1 29 29 PHE N N 29 115.898 115.898 119.123 -3.225 25269
1438 1 8 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.827 -0.229 25269
1439 1 8 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.512 -2.459 25269
1440 1 8 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.503 -3.033 25269
1441 1 8 . 1 1 29 29 PHE H H 29 7.682 7.682 7.818 -0.136 25269
1442 1 8 . 1 1 30 30 GLY N N 30 107.941 107.941 108.050 -0.109 25269
1443 1 8 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.739 -3.845 25269
1444 1 8 . 1 1 30 30 GLY H H 30 7.577 7.577 8.760 -1.183 25269
1445 1 8 . 1 1 31 31 VAL N N 31 115.625 115.625 114.645 0.980 25269
1446 1 8 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.304 -0.256 25269
1447 1 8 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.596 -3.601 25269
1448 1 8 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.090 -1.748 25269
1449 1 8 . 1 1 31 31 VAL H H 31 7.584 7.584 8.222 -0.638 25269
1450 1 8 . 1 1 32 32 LYS N N 32 123.707 123.707 119.593 4.114 25269
1451 1 8 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.349 -0.153 25269
1452 1 8 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.279 -1.998 25269
1453 1 8 . 1 1 32 32 LYS CB C 32 30.389 30.389 33.273 -2.884 25269
1454 1 8 . 1 1 32 32 LYS H H 32 8.002 8.002 8.161 -0.159 25269
1455 1 8 . 1 1 33 33 HIS N N 33 119.228 119.228 118.212 1.016 25269
1456 1 8 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.883 -0.265 25269
1457 1 8 . 1 1 33 33 HIS CA C 33 52.353 52.353 54.918 -2.565 25269
1458 1 8 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.082 -4.523 25269
1459 1 8 . 1 1 33 33 HIS H H 33 8.205 8.205 8.190 0.015 25269
1460 1 8 . 1 1 34 34 SER N N 34 114.324 114.324 119.297 -4.973 25269
1461 1 8 . 1 1 34 34 SER HA H 34 4.329 4.329 4.320 0.009 25269
1462 1 8 . 1 1 34 34 SER CA C 34 55.392 55.392 57.532 -2.140 25269
1463 1 8 . 1 1 34 34 SER CB C 34 61.072 61.072 63.919 -2.847 25269
1464 1 8 . 1 1 34 34 SER H H 34 7.814 7.814 8.550 -0.736 25269
1465 1 8 . 1 1 35 35 SER N N 35 117.133 117.133 116.693 0.440 25269
1466 1 8 . 1 1 35 35 SER HA H 35 4.392 4.392 4.466 -0.074 25269
1467 1 8 . 1 1 35 35 SER CA C 35 55.618 55.618 59.655 -4.037 25269
1468 1 8 . 1 1 35 35 SER CB C 35 61.247 61.247 63.344 -2.098 25269
1469 1 8 . 1 1 35 35 SER H H 35 8.185 8.185 8.611 -0.426 25269
1470 1 8 . 1 1 36 36 GLY N N 36 107.839 107.839 109.139 -1.300 25269
1471 1 8 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.834 -2.411 25269
1472 1 8 . 1 1 36 36 GLY H H 36 8.021 8.021 7.772 0.249 25269
1473 1 8 . 1 1 37 37 GLY N N 37 109.587 109.587 104.359 5.228 25269
1474 1 8 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.884 -2.297 25269
1475 1 8 . 1 1 37 37 GLY H H 37 8.159 8.159 8.094 0.065 25269
1476 1 8 . 1 1 38 38 GLY N N 38 107.839 107.839 108.166 -0.327 25269
1477 1 8 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.339 -2.916 25269
1478 1 8 . 1 1 38 38 GLY H H 38 8.047 8.047 8.245 -0.198 25269
1479 1 8 . 1 1 39 39 GLY N N 39 107.993 107.993 108.506 -0.513 25269
1480 1 8 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.173 -2.630 25269
1481 1 8 . 1 1 39 39 GLY H H 39 8.095 8.095 8.122 -0.027 25269
1482 1 8 . 1 1 40 40 SER N N 40 116.643 116.643 114.395 2.248 25269
1483 1 8 . 1 1 40 40 SER HA H 40 4.394 4.394 4.824 -0.430 25269
1484 1 8 . 1 1 40 40 SER CA C 40 55.388 55.388 57.316 -1.929 25269
1485 1 8 . 1 1 40 40 SER CB C 40 61.227 61.227 65.006 -3.779 25269
1486 1 8 . 1 1 40 40 SER H H 40 8.079 8.079 8.284 -0.205 25269
1487 1 8 . 1 1 41 41 TYR N N 41 120.646 120.646 123.831 -3.185 25269
1488 1 8 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.408 0.043 25269
1489 1 8 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.615 -4.490 25269
1490 1 8 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.739 -1.726 25269
1491 1 8 . 1 1 41 41 TYR H H 41 7.854 7.854 8.737 -0.883 25269
1492 1 8 . 1 1 42 42 HIS N N 42 118.252 118.252 120.104 -1.852 25269
1493 1 8 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.688 -0.081 25269
1494 1 8 . 1 1 42 42 HIS CA C 42 51.920 51.920 54.485 -2.565 25269
1495 1 8 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.002 -1.894 25269
1496 1 8 . 1 1 42 42 HIS H H 42 7.806 7.806 7.768 0.038 25269
1497 1 9 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.137 -0.002 25269
1498 1 9 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.983 -1.879 25269
1499 1 9 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.429 -2.376 25269
1500 1 9 . 1 1 3 3 ALA N N 3 124.626 124.626 118.978 5.648 25269
1501 1 9 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.184 -0.012 25269
1502 1 9 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.937 -2.347 25269
1503 1 9 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.819 -2.909 25269
1504 1 9 . 1 1 3 3 ALA H H 3 8.259 8.259 8.267 -0.008 25269
1505 1 9 . 1 1 4 4 TRP N N 4 117.335 117.335 112.958 4.377 25269
1506 1 9 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.770 -0.501 25269
1507 1 9 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.369 4.725 25269
1508 1 9 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.562 -1.320 25269
1509 1 9 . 1 1 4 4 TRP H H 4 7.581 7.581 6.738 0.843 25269
1510 1 9 . 1 1 5 5 CYS N N 5 117.878 117.878 118.652 -0.774 25269
1511 1 9 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.782 -0.578 25269
1512 1 9 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.528 -3.415 25269
1513 1 9 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.245 6.127 25269
1514 1 9 . 1 1 5 5 CYS H H 5 7.880 7.880 7.074 0.805 25269
1515 1 9 . 1 1 6 6 TRP N N 6 120.116 120.116 121.588 -1.472 25269
1516 1 9 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.417 0.962 25269
1517 1 9 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.310 -3.264 25269
1518 1 9 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.577 -3.029 25269
1519 1 9 . 1 1 6 6 TRP H H 6 7.514 7.514 8.310 -0.796 25269
1520 1 9 . 1 1 7 7 TYR N N 7 117.617 117.617 115.348 2.269 25269
1521 1 9 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.113 0.093 25269
1522 1 9 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.774 -1.418 25269
1523 1 9 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.154 -1.562 25269
1524 1 9 . 1 1 7 7 TYR H H 7 7.758 7.758 8.529 -0.771 25269
1525 1 9 . 1 1 8 8 THR N N 8 114.013 114.013 108.304 5.709 25269
1526 1 9 . 1 1 8 8 THR HA H 8 3.807 3.807 4.273 -0.466 25269
1527 1 9 . 1 1 8 8 THR CA C 8 63.506 63.506 63.308 0.198 25269
1528 1 9 . 1 1 8 8 THR CB C 8 65.965 65.965 67.266 -1.301 25269
1529 1 9 . 1 1 8 8 THR H H 8 7.843 7.843 8.464 -0.621 25269
1530 1 9 . 1 1 9 9 LEU N N 9 121.631 121.631 120.471 1.160 25269
1531 1 9 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.327 -0.387 25269
1532 1 9 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.081 -0.690 25269
1533 1 9 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.649 -3.974 25269
1534 1 9 . 1 1 9 9 LEU H H 9 7.750 7.750 7.989 -0.239 25269
1535 1 9 . 1 1 10 10 ALA N N 10 120.229 120.229 119.155 1.074 25269
1536 1 9 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.918 0.087 25269
1537 1 9 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.825 -1.191 25269
1538 1 9 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.555 -1.998 25269
1539 1 9 . 1 1 10 10 ALA H H 10 7.592 7.592 7.999 -0.407 25269
1540 1 9 . 1 1 11 11 MET N N 11 114.827 114.827 115.644 -0.817 25269
1541 1 9 . 1 1 11 11 MET HA H 11 3.800 3.800 4.142 -0.342 25269
1542 1 9 . 1 1 11 11 MET CA C 11 55.416 55.416 55.134 0.282 25269
1543 1 9 . 1 1 11 11 MET CB C 11 30.203 30.203 32.068 -1.865 25269
1544 1 9 . 1 1 11 11 MET H H 11 7.788 7.788 8.232 -0.444 25269
1545 1 9 . 1 1 12 12 CYS N N 12 117.096 117.096 118.699 -1.603 25269
1546 1 9 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.590 -0.029 25269
1547 1 9 . 1 1 12 12 CYS CA C 12 55.551 55.551 59.002 -3.451 25269
1548 1 9 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.230 11.503 25269
1549 1 9 . 1 1 12 12 CYS H H 12 8.155 8.155 7.600 0.555 25269
1550 1 9 . 1 1 13 13 GLY N N 13 108.467 108.467 111.397 -2.930 25269
1551 1 9 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.053 -2.584 25269
1552 1 9 . 1 1 13 13 GLY H H 13 8.112 8.112 8.738 -0.626 25269
1553 1 9 . 1 1 14 14 ALA N N 14 121.448 121.448 121.428 0.020 25269
1554 1 9 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.511 -0.211 25269
1555 1 9 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.256 -1.793 25269
1556 1 9 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.410 -3.063 25269
1557 1 9 . 1 1 14 14 ALA H H 14 7.662 7.662 7.850 -0.188 25269
1558 1 9 . 1 1 15 15 GLY N N 15 104.928 104.928 107.326 -2.398 25269
1559 1 9 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.451 -3.720 25269
1560 1 9 . 1 1 15 15 GLY H H 15 7.695 7.695 8.371 -0.676 25269
1561 1 9 . 1 1 16 16 TYR N N 16 118.658 118.658 119.199 -0.541 25269
1562 1 9 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.509 -0.044 25269
1563 1 9 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.404 -4.184 25269
1564 1 9 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.791 -3.732 25269
1565 1 9 . 1 1 16 16 TYR H H 16 7.604 7.604 8.204 -0.600 25269
1566 1 9 . 1 1 17 17 ASP N N 17 118.647 118.647 117.027 1.620 25269
1567 1 9 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.724 -0.120 25269
1568 1 9 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.413 -3.115 25269
1569 1 9 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.020 -6.948 25269
1570 1 9 . 1 1 17 17 ASP H H 17 7.919 7.919 7.709 0.210 25269
1571 1 9 . 1 1 18 18 SER N N 18 116.466 116.466 116.190 0.276 25269
1572 1 9 . 1 1 18 18 SER HA H 18 4.272 4.272 4.500 -0.229 25269
1573 1 9 . 1 1 18 18 SER CA C 18 55.383 55.383 57.874 -2.491 25269
1574 1 9 . 1 1 18 18 SER CB C 18 67.330 67.330 61.774 5.556 25269
1575 1 9 . 1 1 18 18 SER H H 18 8.039 8.039 8.481 -0.442 25269
1576 1 9 . 1 1 19 19 GLY N N 19 111.185 111.185 110.850 0.335 25269
1577 1 9 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.280 -2.006 25269
1578 1 9 . 1 1 19 19 GLY H H 19 8.331 8.331 8.035 0.296 25269
1579 1 9 . 1 1 20 20 THR N N 20 116.439 116.439 114.263 2.176 25269
1580 1 9 . 1 1 20 20 THR HA H 20 4.110 4.110 4.445 -0.335 25269
1581 1 9 . 1 1 20 20 THR CA C 20 62.430 62.430 62.320 0.110 25269
1582 1 9 . 1 1 20 20 THR CB C 20 65.863 65.863 70.246 -4.383 25269
1583 1 9 . 1 1 20 20 THR H H 20 7.850 7.850 7.781 0.069 25269
1584 1 9 . 1 1 21 21 CYS N N 21 119.701 119.701 125.090 -5.389 25269
1585 1 9 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.619 -0.346 25269
1586 1 9 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.071 -2.707 25269
1587 1 9 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.022 7.994 25269
1588 1 9 . 1 1 21 21 CYS H H 21 8.037 8.037 8.942 -0.905 25269
1589 1 9 . 1 1 22 22 ASP N N 22 119.085 119.085 118.506 0.579 25269
1590 1 9 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.600 -0.148 25269
1591 1 9 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.796 -0.869 25269
1592 1 9 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.898 -5.815 25269
1593 1 9 . 1 1 22 22 ASP H H 22 8.447 8.447 8.064 0.383 25269
1594 1 9 . 1 1 23 23 TYR N N 23 121.546 121.546 121.140 0.406 25269
1595 1 9 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.423 -0.298 25269
1596 1 9 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.751 -2.446 25269
1597 1 9 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.848 -2.125 25269
1598 1 9 . 1 1 23 23 TYR H H 23 8.037 8.037 7.786 0.251 25269
1599 1 9 . 1 1 24 24 MET N N 24 120.054 120.054 116.673 3.381 25269
1600 1 9 . 1 1 24 24 MET HA H 24 4.123 4.123 4.319 -0.196 25269
1601 1 9 . 1 1 24 24 MET CA C 24 56.163 56.163 58.228 -2.065 25269
1602 1 9 . 1 1 24 24 MET CB C 24 28.747 28.747 30.485 -1.738 25269
1603 1 9 . 1 1 24 24 MET H H 24 8.459 8.459 8.118 0.341 25269
1604 1 9 . 1 1 25 25 TYR N N 25 120.358 120.358 119.670 0.688 25269
1605 1 9 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.365 -0.241 25269
1606 1 9 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.649 -0.004 25269
1607 1 9 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.694 -2.184 25269
1608 1 9 . 1 1 25 25 TYR H H 25 8.909 8.909 7.553 1.356 25269
1609 1 9 . 1 1 26 26 SER N N 26 112.447 112.447 113.283 -0.836 25269
1610 1 9 . 1 1 26 26 SER HA H 26 4.124 4.124 4.583 -0.459 25269
1611 1 9 . 1 1 26 26 SER CA C 26 58.949 58.949 57.999 0.950 25269
1612 1 9 . 1 1 26 26 SER CB C 26 60.889 60.889 62.718 -1.829 25269
1613 1 9 . 1 1 26 26 SER H H 26 8.039 8.039 7.580 0.459 25269
1614 1 9 . 1 1 27 27 HIS N N 27 116.202 116.202 116.223 -0.021 25269
1615 1 9 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.353 -0.129 25269
1616 1 9 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.034 -1.628 25269
1617 1 9 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.927 -2.375 25269
1618 1 9 . 1 1 27 27 HIS H H 27 7.790 7.790 8.126 -0.336 25269
1619 1 9 . 1 1 28 28 CYS N N 28 115.699 115.699 116.193 -0.494 25269
1620 1 9 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.718 -0.493 25269
1621 1 9 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.623 -4.229 25269
1622 1 9 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.577 10.902 25269
1623 1 9 . 1 1 28 28 CYS H H 28 8.096 8.096 8.140 -0.044 25269
1624 1 9 . 1 1 29 29 PHE N N 29 115.898 115.898 118.929 -3.031 25269
1625 1 9 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.921 -0.323 25269
1626 1 9 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.725 -2.672 25269
1627 1 9 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.862 -3.392 25269
1628 1 9 . 1 1 29 29 PHE H H 29 7.682 7.682 7.809 -0.127 25269
1629 1 9 . 1 1 30 30 GLY N N 30 107.941 107.941 108.015 -0.074 25269
1630 1 9 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.456 -3.562 25269
1631 1 9 . 1 1 30 30 GLY H H 30 7.577 7.577 8.836 -1.259 25269
1632 1 9 . 1 1 31 31 VAL N N 31 115.625 115.625 112.066 3.559 25269
1633 1 9 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.213 -0.165 25269
1634 1 9 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.283 -3.288 25269
1635 1 9 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.069 -1.726 25269
1636 1 9 . 1 1 31 31 VAL H H 31 7.584 7.584 7.900 -0.316 25269
1637 1 9 . 1 1 32 32 LYS N N 32 123.707 123.707 120.246 3.461 25269
1638 1 9 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.721 0.475 25269
1639 1 9 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.795 -3.515 25269
1640 1 9 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.098 -1.709 25269
1641 1 9 . 1 1 32 32 LYS H H 32 8.002 8.002 7.861 0.141 25269
1642 1 9 . 1 1 33 33 HIS N N 33 119.228 119.228 120.635 -1.407 25269
1643 1 9 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.637 -0.019 25269
1644 1 9 . 1 1 33 33 HIS CA C 33 52.353 52.353 56.985 -4.632 25269
1645 1 9 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.581 -4.022 25269
1646 1 9 . 1 1 33 33 HIS H H 33 8.205 8.205 8.501 -0.296 25269
1647 1 9 . 1 1 34 34 SER N N 34 114.324 114.324 113.141 1.183 25269
1648 1 9 . 1 1 34 34 SER HA H 34 4.329 4.329 4.398 -0.069 25269
1649 1 9 . 1 1 34 34 SER CA C 34 55.392 55.392 58.987 -3.595 25269
1650 1 9 . 1 1 34 34 SER CB C 34 61.072 61.072 62.508 -1.436 25269
1651 1 9 . 1 1 34 34 SER H H 34 7.814 7.814 8.926 -1.112 25269
1652 1 9 . 1 1 35 35 SER N N 35 117.133 117.133 116.140 0.993 25269
1653 1 9 . 1 1 35 35 SER HA H 35 4.392 4.392 4.502 -0.110 25269
1654 1 9 . 1 1 35 35 SER CA C 35 55.618 55.618 58.840 -3.222 25269
1655 1 9 . 1 1 35 35 SER CB C 35 61.247 61.247 63.907 -2.660 25269
1656 1 9 . 1 1 35 35 SER H H 35 8.185 8.185 8.519 -0.334 25269
1657 1 9 . 1 1 36 36 GLY N N 36 107.839 107.839 109.536 -1.697 25269
1658 1 9 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.048 -2.625 25269
1659 1 9 . 1 1 36 36 GLY H H 36 8.021 8.021 7.951 0.070 25269
1660 1 9 . 1 1 37 37 GLY N N 37 109.587 109.587 108.440 1.147 25269
1661 1 9 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.790 -3.203 25269
1662 1 9 . 1 1 37 37 GLY H H 37 8.159 8.159 8.065 0.094 25269
1663 1 9 . 1 1 38 38 GLY N N 38 107.839 107.839 106.403 1.436 25269
1664 1 9 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.739 -3.316 25269
1665 1 9 . 1 1 38 38 GLY H H 38 8.047 8.047 9.465 -1.418 25269
1666 1 9 . 1 1 39 39 GLY N N 39 107.993 107.993 109.492 -1.499 25269
1667 1 9 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.866 -2.323 25269
1668 1 9 . 1 1 39 39 GLY H H 39 8.095 8.095 8.068 0.027 25269
1669 1 9 . 1 1 40 40 SER N N 40 116.643 116.643 116.733 -0.090 25269
1670 1 9 . 1 1 40 40 SER HA H 40 4.394 4.394 4.258 0.136 25269
1671 1 9 . 1 1 40 40 SER CA C 40 55.388 55.388 58.599 -3.211 25269
1672 1 9 . 1 1 40 40 SER CB C 40 61.227 61.227 63.782 -2.555 25269
1673 1 9 . 1 1 40 40 SER H H 40 8.079 8.079 7.856 0.223 25269
1674 1 9 . 1 1 41 41 TYR N N 41 120.646 120.646 125.145 -4.499 25269
1675 1 9 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.560 -0.109 25269
1676 1 9 . 1 1 41 41 TYR CA C 41 55.125 55.125 57.143 -2.018 25269
1677 1 9 . 1 1 41 41 TYR CB C 41 36.013 36.013 39.071 -3.058 25269
1678 1 9 . 1 1 41 41 TYR H H 41 7.854 7.854 8.327 -0.473 25269
1679 1 9 . 1 1 42 42 HIS N N 42 118.252 118.252 118.750 -0.498 25269
1680 1 9 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.353 0.254 25269
1681 1 9 . 1 1 42 42 HIS CA C 42 51.920 51.920 57.047 -5.127 25269
1682 1 9 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.820 -2.712 25269
1683 1 9 . 1 1 42 42 HIS H H 42 7.806 7.806 8.586 -0.780 25269
1684 1 10 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.227 -0.092 25269
1685 1 10 . 1 1 2 2 PRO CA C 2 60.105 60.105 62.018 -1.913 25269
1686 1 10 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.502 -2.449 25269
1687 1 10 . 1 1 3 3 ALA N N 3 124.626 124.626 119.223 5.403 25269
1688 1 10 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.384 -0.212 25269
1689 1 10 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.207 -2.617 25269
1690 1 10 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.931 -3.021 25269
1691 1 10 . 1 1 3 3 ALA H H 3 8.259 8.259 8.415 -0.156 25269
1692 1 10 . 1 1 4 4 TRP N N 4 117.335 117.335 113.023 4.312 25269
1693 1 10 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.729 -0.460 25269
1694 1 10 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.185 4.909 25269
1695 1 10 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.614 -1.373 25269
1696 1 10 . 1 1 4 4 TRP H H 4 7.581 7.581 6.920 0.661 25269
1697 1 10 . 1 1 5 5 CYS N N 5 117.878 117.878 117.614 0.264 25269
1698 1 10 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.919 -0.715 25269
1699 1 10 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.379 -3.266 25269
1700 1 10 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.186 6.186 25269
1701 1 10 . 1 1 5 5 CYS H H 5 7.880 7.880 7.183 0.697 25269
1702 1 10 . 1 1 6 6 TRP N N 6 120.116 120.116 122.219 -2.103 25269
1703 1 10 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.265 1.114 25269
1704 1 10 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.822 -3.776 25269
1705 1 10 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.305 -2.757 25269
1706 1 10 . 1 1 6 6 TRP H H 6 7.514 7.514 8.534 -1.020 25269
1707 1 10 . 1 1 7 7 TYR N N 7 117.617 117.617 115.586 2.031 25269
1708 1 10 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.119 0.087 25269
1709 1 10 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.479 -1.123 25269
1710 1 10 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.870 -1.278 25269
1711 1 10 . 1 1 7 7 TYR H H 7 7.758 7.758 8.386 -0.628 25269
1712 1 10 . 1 1 8 8 THR N N 8 114.013 114.013 106.112 7.901 25269
1713 1 10 . 1 1 8 8 THR HA H 8 3.807 3.807 4.316 -0.509 25269
1714 1 10 . 1 1 8 8 THR CA C 8 63.506 63.506 63.431 0.075 25269
1715 1 10 . 1 1 8 8 THR CB C 8 65.965 65.965 67.781 -1.816 25269
1716 1 10 . 1 1 8 8 THR H H 8 7.843 7.843 8.406 -0.563 25269
1717 1 10 . 1 1 9 9 LEU N N 9 121.631 121.631 120.802 0.829 25269
1718 1 10 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.273 -0.333 25269
1719 1 10 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.002 -0.611 25269
1720 1 10 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.592 -3.917 25269
1721 1 10 . 1 1 9 9 LEU H H 9 7.750 7.750 7.923 -0.173 25269
1722 1 10 . 1 1 10 10 ALA N N 10 120.229 120.229 119.035 1.194 25269
1723 1 10 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.913 0.092 25269
1724 1 10 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.768 -1.134 25269
1725 1 10 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.322 -1.764 25269
1726 1 10 . 1 1 10 10 ALA H H 10 7.592 7.592 8.001 -0.409 25269
1727 1 10 . 1 1 11 11 MET N N 11 114.827 114.827 115.512 -0.685 25269
1728 1 10 . 1 1 11 11 MET HA H 11 3.800 3.800 3.885 -0.085 25269
1729 1 10 . 1 1 11 11 MET CA C 11 55.416 55.416 55.280 0.136 25269
1730 1 10 . 1 1 11 11 MET CB C 11 30.203 30.203 32.374 -2.171 25269
1731 1 10 . 1 1 11 11 MET H H 11 7.788 7.788 8.173 -0.385 25269
1732 1 10 . 1 1 12 12 CYS N N 12 117.096 117.096 117.633 -0.537 25269
1733 1 10 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.594 -0.033 25269
1734 1 10 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.432 -2.881 25269
1735 1 10 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.477 11.256 25269
1736 1 10 . 1 1 12 12 CYS H H 12 8.155 8.155 7.496 0.659 25269
1737 1 10 . 1 1 13 13 GLY N N 13 108.467 108.467 111.431 -2.964 25269
1738 1 10 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.039 -2.570 25269
1739 1 10 . 1 1 13 13 GLY H H 13 8.112 8.112 8.731 -0.619 25269
1740 1 10 . 1 1 14 14 ALA N N 14 121.448 121.448 121.437 0.011 25269
1741 1 10 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.486 -0.186 25269
1742 1 10 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.358 -1.895 25269
1743 1 10 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.402 -3.055 25269
1744 1 10 . 1 1 14 14 ALA H H 14 7.662 7.662 7.846 -0.184 25269
1745 1 10 . 1 1 15 15 GLY N N 15 104.928 104.928 107.216 -2.288 25269
1746 1 10 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.382 -3.651 25269
1747 1 10 . 1 1 15 15 GLY H H 15 7.695 7.695 8.377 -0.682 25269
1748 1 10 . 1 1 16 16 TYR N N 16 118.658 118.658 119.198 -0.540 25269
1749 1 10 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.510 -0.045 25269
1750 1 10 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.440 -4.221 25269
1751 1 10 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.805 -3.746 25269
1752 1 10 . 1 1 16 16 TYR H H 16 7.604 7.604 8.165 -0.561 25269
1753 1 10 . 1 1 17 17 ASP N N 17 118.647 118.647 117.177 1.470 25269
1754 1 10 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.784 -0.180 25269
1755 1 10 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.370 -3.072 25269
1756 1 10 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.864 -6.792 25269
1757 1 10 . 1 1 17 17 ASP H H 17 7.919 7.919 7.753 0.166 25269
1758 1 10 . 1 1 18 18 SER N N 18 116.466 116.466 116.599 -0.133 25269
1759 1 10 . 1 1 18 18 SER HA H 18 4.272 4.272 4.492 -0.220 25269
1760 1 10 . 1 1 18 18 SER CA C 18 55.383 55.383 58.343 -2.960 25269
1761 1 10 . 1 1 18 18 SER CB C 18 67.330 67.330 61.698 5.632 25269
1762 1 10 . 1 1 18 18 SER H H 18 8.039 8.039 8.564 -0.525 25269
1763 1 10 . 1 1 19 19 GLY N N 19 111.185 111.185 110.627 0.558 25269
1764 1 10 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.079 -1.805 25269
1765 1 10 . 1 1 19 19 GLY H H 19 8.331 8.331 8.026 0.305 25269
1766 1 10 . 1 1 20 20 THR N N 20 116.439 116.439 114.327 2.112 25269
1767 1 10 . 1 1 20 20 THR HA H 20 4.110 4.110 4.480 -0.370 25269
1768 1 10 . 1 1 20 20 THR CA C 20 62.430 62.430 62.623 -0.193 25269
1769 1 10 . 1 1 20 20 THR CB C 20 65.863 65.863 70.132 -4.269 25269
1770 1 10 . 1 1 20 20 THR H H 20 7.850 7.850 7.827 0.023 25269
1771 1 10 . 1 1 21 21 CYS N N 21 119.701 119.701 124.734 -5.033 25269
1772 1 10 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.623 -0.350 25269
1773 1 10 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.980 -2.616 25269
1774 1 10 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.828 7.188 25269
1775 1 10 . 1 1 21 21 CYS H H 21 8.037 8.037 8.890 -0.853 25269
1776 1 10 . 1 1 22 22 ASP N N 22 119.085 119.085 118.459 0.626 25269
1777 1 10 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.567 -0.115 25269
1778 1 10 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.733 -0.806 25269
1779 1 10 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.899 -5.816 25269
1780 1 10 . 1 1 22 22 ASP H H 22 8.447 8.447 8.046 0.401 25269
1781 1 10 . 1 1 23 23 TYR N N 23 121.546 121.546 120.906 0.640 25269
1782 1 10 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.412 -0.287 25269
1783 1 10 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.708 -2.403 25269
1784 1 10 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.883 -2.160 25269
1785 1 10 . 1 1 23 23 TYR H H 23 8.037 8.037 7.745 0.292 25269
1786 1 10 . 1 1 24 24 MET N N 24 120.054 120.054 116.722 3.332 25269
1787 1 10 . 1 1 24 24 MET HA H 24 4.123 4.123 4.236 -0.113 25269
1788 1 10 . 1 1 24 24 MET CA C 24 56.163 56.163 58.245 -2.082 25269
1789 1 10 . 1 1 24 24 MET CB C 24 28.747 28.747 30.455 -1.708 25269
1790 1 10 . 1 1 24 24 MET H H 24 8.459 8.459 8.061 0.398 25269
1791 1 10 . 1 1 25 25 TYR N N 25 120.358 120.358 118.152 2.206 25269
1792 1 10 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.285 -0.161 25269
1793 1 10 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.445 -0.800 25269
1794 1 10 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.987 -2.477 25269
1795 1 10 . 1 1 25 25 TYR H H 25 8.909 8.909 7.380 1.529 25269
1796 1 10 . 1 1 26 26 SER N N 26 112.447 112.447 112.079 0.368 25269
1797 1 10 . 1 1 26 26 SER HA H 26 4.124 4.124 4.478 -0.354 25269
1798 1 10 . 1 1 26 26 SER CA C 26 58.949 58.949 58.102 0.847 25269
1799 1 10 . 1 1 26 26 SER CB C 26 60.889 60.889 63.642 -2.753 25269
1800 1 10 . 1 1 26 26 SER H H 26 8.039 8.039 7.496 0.543 25269
1801 1 10 . 1 1 27 27 HIS N N 27 116.202 116.202 116.935 -0.733 25269
1802 1 10 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.366 -0.142 25269
1803 1 10 . 1 1 27 27 HIS CA C 27 55.406 55.406 56.944 -1.538 25269
1804 1 10 . 1 1 27 27 HIS CB C 27 25.552 25.552 28.202 -2.650 25269
1805 1 10 . 1 1 27 27 HIS H H 27 7.790 7.790 8.222 -0.432 25269
1806 1 10 . 1 1 28 28 CYS N N 28 115.699 115.699 116.106 -0.407 25269
1807 1 10 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.710 -0.485 25269
1808 1 10 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.777 -4.383 25269
1809 1 10 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.741 10.738 25269
1810 1 10 . 1 1 28 28 CYS H H 28 8.096 8.096 8.112 -0.016 25269
1811 1 10 . 1 1 29 29 PHE N N 29 115.898 115.898 119.142 -3.244 25269
1812 1 10 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.885 -0.287 25269
1813 1 10 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.782 -2.729 25269
1814 1 10 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.794 -3.324 25269
1815 1 10 . 1 1 29 29 PHE H H 29 7.682 7.682 7.765 -0.083 25269
1816 1 10 . 1 1 30 30 GLY N N 30 107.941 107.941 107.734 0.207 25269
1817 1 10 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.121 -3.227 25269
1818 1 10 . 1 1 30 30 GLY H H 30 7.577 7.577 8.730 -1.153 25269
1819 1 10 . 1 1 31 31 VAL N N 31 115.625 115.625 111.197 4.428 25269
1820 1 10 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.225 -0.177 25269
1821 1 10 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.001 -3.006 25269
1822 1 10 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.394 -2.051 25269
1823 1 10 . 1 1 31 31 VAL H H 31 7.584 7.584 7.773 -0.189 25269
1824 1 10 . 1 1 32 32 LYS N N 32 123.707 123.707 119.936 3.771 25269
1825 1 10 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.803 0.393 25269
1826 1 10 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.985 -3.705 25269
1827 1 10 . 1 1 32 32 LYS CB C 32 30.389 30.389 31.894 -1.505 25269
1828 1 10 . 1 1 32 32 LYS H H 32 8.002 8.002 7.534 0.468 25269
1829 1 10 . 1 1 33 33 HIS N N 33 119.228 119.228 117.720 1.508 25269
1830 1 10 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.722 -0.104 25269
1831 1 10 . 1 1 33 33 HIS CA C 33 52.353 52.353 57.532 -5.179 25269
1832 1 10 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.704 -5.145 25269
1833 1 10 . 1 1 33 33 HIS H H 33 8.205 8.205 8.741 -0.536 25269
1834 1 10 . 1 1 34 34 SER N N 34 114.324 114.324 118.519 -4.195 25269
1835 1 10 . 1 1 34 34 SER HA H 34 4.329 4.329 4.401 -0.072 25269
1836 1 10 . 1 1 34 34 SER CA C 34 55.392 55.392 58.908 -3.516 25269
1837 1 10 . 1 1 34 34 SER CB C 34 61.072 61.072 63.822 -2.750 25269
1838 1 10 . 1 1 34 34 SER H H 34 7.814 7.814 8.605 -0.791 25269
1839 1 10 . 1 1 35 35 SER N N 35 117.133 117.133 119.937 -2.804 25269
1840 1 10 . 1 1 35 35 SER HA H 35 4.392 4.392 4.474 -0.082 25269
1841 1 10 . 1 1 35 35 SER CA C 35 55.618 55.618 58.556 -2.938 25269
1842 1 10 . 1 1 35 35 SER CB C 35 61.247 61.247 63.892 -2.645 25269
1843 1 10 . 1 1 35 35 SER H H 35 8.185 8.185 8.508 -0.323 25269
1844 1 10 . 1 1 36 36 GLY N N 36 107.839 107.839 108.976 -1.137 25269
1845 1 10 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.702 -2.279 25269
1846 1 10 . 1 1 36 36 GLY H H 36 8.021 8.021 8.399 -0.378 25269
1847 1 10 . 1 1 37 37 GLY N N 37 109.587 109.587 111.149 -1.562 25269
1848 1 10 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.936 -2.349 25269
1849 1 10 . 1 1 37 37 GLY H H 37 8.159 8.159 8.083 0.076 25269
1850 1 10 . 1 1 38 38 GLY N N 38 107.839 107.839 109.975 -2.136 25269
1851 1 10 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.187 -2.764 25269
1852 1 10 . 1 1 38 38 GLY H H 38 8.047 8.047 8.179 -0.132 25269
1853 1 10 . 1 1 39 39 GLY N N 39 107.993 107.993 109.011 -1.018 25269
1854 1 10 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.714 -2.171 25269
1855 1 10 . 1 1 39 39 GLY H H 39 8.095 8.095 8.369 -0.274 25269
1856 1 10 . 1 1 40 40 SER N N 40 116.643 116.643 121.745 -5.102 25269
1857 1 10 . 1 1 40 40 SER HA H 40 4.394 4.394 4.503 -0.109 25269
1858 1 10 . 1 1 40 40 SER CA C 40 55.388 55.388 58.475 -3.087 25269
1859 1 10 . 1 1 40 40 SER CB C 40 61.227 61.227 63.393 -2.166 25269
1860 1 10 . 1 1 40 40 SER H H 40 8.079 8.079 8.672 -0.593 25269
1861 1 10 . 1 1 41 41 TYR N N 41 120.646 120.646 127.041 -6.395 25269
1862 1 10 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.412 0.039 25269
1863 1 10 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.445 -4.320 25269
1864 1 10 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.714 -1.701 25269
1865 1 10 . 1 1 41 41 TYR H H 41 7.854 7.854 9.159 -1.305 25269
1866 1 10 . 1 1 42 42 HIS N N 42 118.252 118.252 120.368 -2.116 25269
1867 1 10 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.168 0.439 25269
1868 1 10 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.641 -3.721 25269
1869 1 10 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.408 -2.300 25269
1870 1 10 . 1 1 42 42 HIS H H 42 7.806 7.806 7.901 -0.095 25269
1871 1 11 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.121 0.014 25269
1872 1 11 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.966 -1.861 25269
1873 1 11 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.406 -2.353 25269
1874 1 11 . 1 1 3 3 ALA N N 3 124.626 124.626 119.033 5.593 25269
1875 1 11 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.232 -0.060 25269
1876 1 11 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.936 -2.346 25269
1877 1 11 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.791 -2.881 25269
1878 1 11 . 1 1 3 3 ALA H H 3 8.259 8.259 8.293 -0.034 25269
1879 1 11 . 1 1 4 4 TRP N N 4 117.335 117.335 112.585 4.750 25269
1880 1 11 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.708 -0.439 25269
1881 1 11 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.343 4.751 25269
1882 1 11 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.954 -1.712 25269
1883 1 11 . 1 1 4 4 TRP H H 4 7.581 7.581 6.836 0.745 25269
1884 1 11 . 1 1 5 5 CYS N N 5 117.878 117.878 118.689 -0.811 25269
1885 1 11 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.761 -0.557 25269
1886 1 11 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.531 -3.418 25269
1887 1 11 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.240 6.132 25269
1888 1 11 . 1 1 5 5 CYS H H 5 7.880 7.880 7.110 0.770 25269
1889 1 11 . 1 1 6 6 TRP N N 6 120.116 120.116 121.589 -1.473 25269
1890 1 11 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.378 1.001 25269
1891 1 11 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.256 -3.210 25269
1892 1 11 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.558 -3.010 25269
1893 1 11 . 1 1 6 6 TRP H H 6 7.514 7.514 8.242 -0.728 25269
1894 1 11 . 1 1 7 7 TYR N N 7 117.617 117.617 115.945 1.672 25269
1895 1 11 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.104 0.102 25269
1896 1 11 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.965 -1.609 25269
1897 1 11 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.739 -1.147 25269
1898 1 11 . 1 1 7 7 TYR H H 7 7.758 7.758 8.486 -0.728 25269
1899 1 11 . 1 1 8 8 THR N N 8 114.013 114.013 108.347 5.666 25269
1900 1 11 . 1 1 8 8 THR HA H 8 3.807 3.807 4.253 -0.446 25269
1901 1 11 . 1 1 8 8 THR CA C 8 63.506 63.506 62.723 0.783 25269
1902 1 11 . 1 1 8 8 THR CB C 8 65.965 65.965 67.616 -1.651 25269
1903 1 11 . 1 1 8 8 THR H H 8 7.843 7.843 8.367 -0.524 25269
1904 1 11 . 1 1 9 9 LEU N N 9 121.631 121.631 120.546 1.085 25269
1905 1 11 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.316 -0.376 25269
1906 1 11 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.249 -0.858 25269
1907 1 11 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.814 -4.139 25269
1908 1 11 . 1 1 9 9 LEU H H 9 7.750 7.750 7.984 -0.234 25269
1909 1 11 . 1 1 10 10 ALA N N 10 120.229 120.229 119.024 1.205 25269
1910 1 11 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.888 0.117 25269
1911 1 11 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.795 -1.161 25269
1912 1 11 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.305 -1.747 25269
1913 1 11 . 1 1 10 10 ALA H H 10 7.592 7.592 8.001 -0.409 25269
1914 1 11 . 1 1 11 11 MET N N 11 114.827 114.827 115.535 -0.708 25269
1915 1 11 . 1 1 11 11 MET HA H 11 3.800 3.800 3.928 -0.128 25269
1916 1 11 . 1 1 11 11 MET CA C 11 55.416 55.416 55.381 0.035 25269
1917 1 11 . 1 1 11 11 MET CB C 11 30.203 30.203 32.538 -2.335 25269
1918 1 11 . 1 1 11 11 MET H H 11 7.788 7.788 8.126 -0.338 25269
1919 1 11 . 1 1 12 12 CYS N N 12 117.096 117.096 117.571 -0.475 25269
1920 1 11 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.606 -0.045 25269
1921 1 11 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.271 -2.720 25269
1922 1 11 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.534 11.199 25269
1923 1 11 . 1 1 12 12 CYS H H 12 8.155 8.155 7.459 0.696 25269
1924 1 11 . 1 1 13 13 GLY N N 13 108.467 108.467 111.574 -3.107 25269
1925 1 11 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.063 -2.594 25269
1926 1 11 . 1 1 13 13 GLY H H 13 8.112 8.112 8.741 -0.629 25269
1927 1 11 . 1 1 14 14 ALA N N 14 121.448 121.448 121.369 0.079 25269
1928 1 11 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.487 -0.188 25269
1929 1 11 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.354 -1.891 25269
1930 1 11 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.407 -3.060 25269
1931 1 11 . 1 1 14 14 ALA H H 14 7.662 7.662 7.857 -0.195 25269
1932 1 11 . 1 1 15 15 GLY N N 15 104.928 104.928 107.188 -2.260 25269
1933 1 11 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.362 -3.631 25269
1934 1 11 . 1 1 15 15 GLY H H 15 7.695 7.695 8.369 -0.674 25269
1935 1 11 . 1 1 16 16 TYR N N 16 118.658 118.658 119.473 -0.815 25269
1936 1 11 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.503 -0.037 25269
1937 1 11 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.540 -4.321 25269
1938 1 11 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.694 -3.635 25269
1939 1 11 . 1 1 16 16 TYR H H 16 7.604 7.604 8.129 -0.525 25269
1940 1 11 . 1 1 17 17 ASP N N 17 118.647 118.647 117.217 1.430 25269
1941 1 11 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.796 -0.192 25269
1942 1 11 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.250 -2.952 25269
1943 1 11 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.963 -6.891 25269
1944 1 11 . 1 1 17 17 ASP H H 17 7.919 7.919 7.792 0.127 25269
1945 1 11 . 1 1 18 18 SER N N 18 116.466 116.466 116.257 0.209 25269
1946 1 11 . 1 1 18 18 SER HA H 18 4.272 4.272 4.489 -0.217 25269
1947 1 11 . 1 1 18 18 SER CA C 18 55.383 55.383 58.257 -2.874 25269
1948 1 11 . 1 1 18 18 SER CB C 18 67.330 67.330 61.847 5.483 25269
1949 1 11 . 1 1 18 18 SER H H 18 8.039 8.039 8.529 -0.490 25269
1950 1 11 . 1 1 19 19 GLY N N 19 111.185 111.185 109.954 1.231 25269
1951 1 11 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.193 -1.919 25269
1952 1 11 . 1 1 19 19 GLY H H 19 8.331 8.331 8.047 0.284 25269
1953 1 11 . 1 1 20 20 THR N N 20 116.439 116.439 113.659 2.780 25269
1954 1 11 . 1 1 20 20 THR HA H 20 4.110 4.110 4.425 -0.315 25269
1955 1 11 . 1 1 20 20 THR CA C 20 62.430 62.430 62.125 0.305 25269
1956 1 11 . 1 1 20 20 THR CB C 20 65.863 65.863 70.248 -4.385 25269
1957 1 11 . 1 1 20 20 THR H H 20 7.850 7.850 7.742 0.108 25269
1958 1 11 . 1 1 21 21 CYS N N 21 119.701 119.701 124.868 -5.167 25269
1959 1 11 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.619 -0.346 25269
1960 1 11 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.116 -2.752 25269
1961 1 11 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.151 7.865 25269
1962 1 11 . 1 1 21 21 CYS H H 21 8.037 8.037 8.875 -0.838 25269
1963 1 11 . 1 1 22 22 ASP N N 22 119.085 119.085 118.792 0.293 25269
1964 1 11 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.527 -0.075 25269
1965 1 11 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.810 -0.883 25269
1966 1 11 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.808 -5.725 25269
1967 1 11 . 1 1 22 22 ASP H H 22 8.447 8.447 8.438 0.009 25269
1968 1 11 . 1 1 23 23 TYR N N 23 121.546 121.546 121.509 0.037 25269
1969 1 11 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.442 -0.317 25269
1970 1 11 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.118 -2.813 25269
1971 1 11 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.941 -2.218 25269
1972 1 11 . 1 1 23 23 TYR H H 23 8.037 8.037 7.934 0.103 25269
1973 1 11 . 1 1 24 24 MET N N 24 120.054 120.054 116.630 3.424 25269
1974 1 11 . 1 1 24 24 MET HA H 24 4.123 4.123 4.331 -0.208 25269
1975 1 11 . 1 1 24 24 MET CA C 24 56.163 56.163 58.159 -1.996 25269
1976 1 11 . 1 1 24 24 MET CB C 24 28.747 28.747 30.493 -1.746 25269
1977 1 11 . 1 1 24 24 MET H H 24 8.459 8.459 8.144 0.315 25269
1978 1 11 . 1 1 25 25 TYR N N 25 120.358 120.358 120.625 -0.267 25269
1979 1 11 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.294 -0.170 25269
1980 1 11 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.154 -0.509 25269
1981 1 11 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.648 -2.138 25269
1982 1 11 . 1 1 25 25 TYR H H 25 8.909 8.909 7.538 1.371 25269
1983 1 11 . 1 1 26 26 SER N N 26 112.447 112.447 111.913 0.534 25269
1984 1 11 . 1 1 26 26 SER HA H 26 4.124 4.124 4.526 -0.402 25269
1985 1 11 . 1 1 26 26 SER CA C 26 58.949 58.949 58.554 0.395 25269
1986 1 11 . 1 1 26 26 SER CB C 26 60.889 60.889 63.008 -2.119 25269
1987 1 11 . 1 1 26 26 SER H H 26 8.039 8.039 7.505 0.534 25269
1988 1 11 . 1 1 27 27 HIS N N 27 116.202 116.202 116.797 -0.595 25269
1989 1 11 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.396 -0.172 25269
1990 1 11 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.196 -1.790 25269
1991 1 11 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.729 -2.177 25269
1992 1 11 . 1 1 27 27 HIS H H 27 7.790 7.790 7.950 -0.160 25269
1993 1 11 . 1 1 28 28 CYS N N 28 115.699 115.699 116.491 -0.792 25269
1994 1 11 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.705 -0.480 25269
1995 1 11 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.495 -4.101 25269
1996 1 11 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.384 11.095 25269
1997 1 11 . 1 1 28 28 CYS H H 28 8.096 8.096 8.077 0.019 25269
1998 1 11 . 1 1 29 29 PHE N N 29 115.898 115.898 119.176 -3.278 25269
1999 1 11 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.872 -0.274 25269
2000 1 11 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.405 -2.352 25269
2001 1 11 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.501 -3.031 25269
2002 1 11 . 1 1 29 29 PHE H H 29 7.682 7.682 7.845 -0.163 25269
2003 1 11 . 1 1 30 30 GLY N N 30 107.941 107.941 108.416 -0.475 25269
2004 1 11 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.700 -3.805 25269
2005 1 11 . 1 1 30 30 GLY H H 30 7.577 7.577 8.742 -1.165 25269
2006 1 11 . 1 1 31 31 VAL N N 31 115.625 115.625 112.661 2.964 25269
2007 1 11 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.281 -0.233 25269
2008 1 11 . 1 1 31 31 VAL CA C 31 58.995 58.995 63.330 -4.335 25269
2009 1 11 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.568 -2.225 25269
2010 1 11 . 1 1 31 31 VAL H H 31 7.584 7.584 8.036 -0.452 25269
2011 1 11 . 1 1 32 32 LYS N N 32 123.707 123.707 119.986 3.721 25269
2012 1 11 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.294 -0.098 25269
2013 1 11 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.647 -2.367 25269
2014 1 11 . 1 1 32 32 LYS CB C 32 30.389 30.389 33.472 -3.083 25269
2015 1 11 . 1 1 32 32 LYS H H 32 8.002 8.002 7.976 0.026 25269
2016 1 11 . 1 1 33 33 HIS N N 33 119.228 119.228 116.668 2.560 25269
2017 1 11 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.827 -0.209 25269
2018 1 11 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.127 -2.774 25269
2019 1 11 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.455 -4.896 25269
2020 1 11 . 1 1 33 33 HIS H H 33 8.205 8.205 7.671 0.534 25269
2021 1 11 . 1 1 34 34 SER N N 34 114.324 114.324 115.812 -1.488 25269
2022 1 11 . 1 1 34 34 SER HA H 34 4.329 4.329 4.252 0.077 25269
2023 1 11 . 1 1 34 34 SER CA C 34 55.392 55.392 58.359 -2.967 25269
2024 1 11 . 1 1 34 34 SER CB C 34 61.072 61.072 63.316 -2.244 25269
2025 1 11 . 1 1 34 34 SER H H 34 7.814 7.814 8.727 -0.913 25269
2026 1 11 . 1 1 35 35 SER N N 35 117.133 117.133 115.782 1.351 25269
2027 1 11 . 1 1 35 35 SER HA H 35 4.392 4.392 4.345 0.047 25269
2028 1 11 . 1 1 35 35 SER CA C 35 55.618 55.618 59.954 -4.336 25269
2029 1 11 . 1 1 35 35 SER CB C 35 61.247 61.247 63.622 -2.375 25269
2030 1 11 . 1 1 35 35 SER H H 35 8.185 8.185 8.452 -0.267 25269
2031 1 11 . 1 1 36 36 GLY N N 36 107.839 107.839 110.490 -2.651 25269
2032 1 11 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.878 -2.455 25269
2033 1 11 . 1 1 36 36 GLY H H 36 8.021 8.021 8.150 -0.129 25269
2034 1 11 . 1 1 37 37 GLY N N 37 109.587 109.587 110.434 -0.847 25269
2035 1 11 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.805 -2.218 25269
2036 1 11 . 1 1 37 37 GLY H H 37 8.159 8.159 8.280 -0.121 25269
2037 1 11 . 1 1 38 38 GLY N N 38 107.839 107.839 106.799 1.040 25269
2038 1 11 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.892 -2.469 25269
2039 1 11 . 1 1 38 38 GLY H H 38 8.047 8.047 8.223 -0.176 25269
2040 1 11 . 1 1 39 39 GLY N N 39 107.993 107.993 108.820 -0.827 25269
2041 1 11 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.709 -2.167 25269
2042 1 11 . 1 1 39 39 GLY H H 39 8.095 8.095 8.127 -0.032 25269
2043 1 11 . 1 1 40 40 SER N N 40 116.643 116.643 114.360 2.283 25269
2044 1 11 . 1 1 40 40 SER HA H 40 4.394 4.394 4.738 -0.344 25269
2045 1 11 . 1 1 40 40 SER CA C 40 55.388 55.388 57.673 -2.285 25269
2046 1 11 . 1 1 40 40 SER CB C 40 61.227 61.227 63.724 -2.497 25269
2047 1 11 . 1 1 40 40 SER H H 40 8.079 8.079 8.334 -0.255 25269
2048 1 11 . 1 1 41 41 TYR N N 41 120.646 120.646 121.019 -0.373 25269
2049 1 11 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.532 -0.081 25269
2050 1 11 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.737 -3.612 25269
2051 1 11 . 1 1 41 41 TYR CB C 41 36.013 36.013 39.117 -3.104 25269
2052 1 11 . 1 1 41 41 TYR H H 41 7.854 7.854 7.940 -0.086 25269
2053 1 11 . 1 1 42 42 HIS N N 42 118.252 118.252 122.750 -4.498 25269
2054 1 11 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.600 0.007 25269
2055 1 11 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.386 -4.466 25269
2056 1 11 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.780 -2.672 25269
2057 1 11 . 1 1 42 42 HIS H H 42 7.806 7.806 8.867 -1.061 25269
2058 1 12 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.266 -0.131 25269
2059 1 12 . 1 1 2 2 PRO CA C 2 60.105 60.105 62.000 -1.895 25269
2060 1 12 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.584 -2.531 25269
2061 1 12 . 1 1 3 3 ALA N N 3 124.626 124.626 119.045 5.581 25269
2062 1 12 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.349 -0.177 25269
2063 1 12 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.230 -2.640 25269
2064 1 12 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.892 -2.982 25269
2065 1 12 . 1 1 3 3 ALA H H 3 8.259 8.259 8.371 -0.112 25269
2066 1 12 . 1 1 4 4 TRP N N 4 117.335 117.335 112.891 4.444 25269
2067 1 12 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.742 -0.473 25269
2068 1 12 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.301 4.793 25269
2069 1 12 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.766 -1.524 25269
2070 1 12 . 1 1 4 4 TRP H H 4 7.581 7.581 6.871 0.710 25269
2071 1 12 . 1 1 5 5 CYS N N 5 117.878 117.878 118.608 -0.730 25269
2072 1 12 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.821 -0.617 25269
2073 1 12 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.509 -3.396 25269
2074 1 12 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.233 6.139 25269
2075 1 12 . 1 1 5 5 CYS H H 5 7.880 7.880 7.162 0.718 25269
2076 1 12 . 1 1 6 6 TRP N N 6 120.116 120.116 121.472 -1.356 25269
2077 1 12 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.280 1.099 25269
2078 1 12 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.258 -3.212 25269
2079 1 12 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.519 -2.971 25269
2080 1 12 . 1 1 6 6 TRP H H 6 7.514 7.514 8.316 -0.802 25269
2081 1 12 . 1 1 7 7 TYR N N 7 117.617 117.617 115.798 1.819 25269
2082 1 12 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.112 0.094 25269
2083 1 12 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.561 -1.205 25269
2084 1 12 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.783 -1.191 25269
2085 1 12 . 1 1 7 7 TYR H H 7 7.758 7.758 8.371 -0.613 25269
2086 1 12 . 1 1 8 8 THR N N 8 114.013 114.013 106.029 7.984 25269
2087 1 12 . 1 1 8 8 THR HA H 8 3.807 3.807 4.286 -0.479 25269
2088 1 12 . 1 1 8 8 THR CA C 8 63.506 63.506 63.256 0.250 25269
2089 1 12 . 1 1 8 8 THR CB C 8 65.965 65.965 67.899 -1.934 25269
2090 1 12 . 1 1 8 8 THR H H 8 7.843 7.843 8.348 -0.505 25269
2091 1 12 . 1 1 9 9 LEU N N 9 121.631 121.631 120.764 0.867 25269
2092 1 12 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.279 -0.339 25269
2093 1 12 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.074 -0.683 25269
2094 1 12 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.646 -3.971 25269
2095 1 12 . 1 1 9 9 LEU H H 9 7.750 7.750 7.960 -0.210 25269
2096 1 12 . 1 1 10 10 ALA N N 10 120.229 120.229 119.011 1.218 25269
2097 1 12 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.912 0.093 25269
2098 1 12 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.763 -1.129 25269
2099 1 12 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.309 -1.751 25269
2100 1 12 . 1 1 10 10 ALA H H 10 7.592 7.592 8.070 -0.478 25269
2101 1 12 . 1 1 11 11 MET N N 11 114.827 114.827 115.504 -0.677 25269
2102 1 12 . 1 1 11 11 MET HA H 11 3.800 3.800 3.868 -0.068 25269
2103 1 12 . 1 1 11 11 MET CA C 11 55.416 55.416 55.326 0.090 25269
2104 1 12 . 1 1 11 11 MET CB C 11 30.203 30.203 32.524 -2.321 25269
2105 1 12 . 1 1 11 11 MET H H 11 7.788 7.788 8.138 -0.350 25269
2106 1 12 . 1 1 12 12 CYS N N 12 117.096 117.096 117.622 -0.526 25269
2107 1 12 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.597 -0.036 25269
2108 1 12 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.347 -2.796 25269
2109 1 12 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.468 11.264 25269
2110 1 12 . 1 1 12 12 CYS H H 12 8.155 8.155 7.461 0.694 25269
2111 1 12 . 1 1 13 13 GLY N N 13 108.467 108.467 111.434 -2.967 25269
2112 1 12 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.069 -2.600 25269
2113 1 12 . 1 1 13 13 GLY H H 13 8.112 8.112 8.715 -0.603 25269
2114 1 12 . 1 1 14 14 ALA N N 14 121.448 121.448 121.419 0.029 25269
2115 1 12 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.496 -0.196 25269
2116 1 12 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.201 -1.738 25269
2117 1 12 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.370 -3.023 25269
2118 1 12 . 1 1 14 14 ALA H H 14 7.662 7.662 7.806 -0.144 25269
2119 1 12 . 1 1 15 15 GLY N N 15 104.928 104.928 107.226 -2.298 25269
2120 1 12 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.395 -3.663 25269
2121 1 12 . 1 1 15 15 GLY H H 15 7.695 7.695 8.368 -0.673 25269
2122 1 12 . 1 1 16 16 TYR N N 16 118.658 118.658 119.270 -0.612 25269
2123 1 12 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.501 -0.036 25269
2124 1 12 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.513 -4.294 25269
2125 1 12 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.795 -3.736 25269
2126 1 12 . 1 1 16 16 TYR H H 16 7.604 7.604 8.162 -0.558 25269
2127 1 12 . 1 1 17 17 ASP N N 17 118.647 118.647 117.135 1.512 25269
2128 1 12 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.770 -0.166 25269
2129 1 12 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.326 -3.028 25269
2130 1 12 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.739 -6.667 25269
2131 1 12 . 1 1 17 17 ASP H H 17 7.919 7.919 7.746 0.173 25269
2132 1 12 . 1 1 18 18 SER N N 18 116.466 116.466 116.537 -0.071 25269
2133 1 12 . 1 1 18 18 SER HA H 18 4.272 4.272 4.482 -0.210 25269
2134 1 12 . 1 1 18 18 SER CA C 18 55.383 55.383 58.338 -2.955 25269
2135 1 12 . 1 1 18 18 SER CB C 18 67.330 67.330 61.808 5.522 25269
2136 1 12 . 1 1 18 18 SER H H 18 8.039 8.039 8.538 -0.499 25269
2137 1 12 . 1 1 19 19 GLY N N 19 111.185 111.185 110.150 1.035 25269
2138 1 12 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.153 -1.879 25269
2139 1 12 . 1 1 19 19 GLY H H 19 8.331 8.331 8.063 0.268 25269
2140 1 12 . 1 1 20 20 THR N N 20 116.439 116.439 114.070 2.369 25269
2141 1 12 . 1 1 20 20 THR HA H 20 4.110 4.110 4.426 -0.316 25269
2142 1 12 . 1 1 20 20 THR CA C 20 62.430 62.430 62.233 0.197 25269
2143 1 12 . 1 1 20 20 THR CB C 20 65.863 65.863 70.262 -4.399 25269
2144 1 12 . 1 1 20 20 THR H H 20 7.850 7.850 7.782 0.068 25269
2145 1 12 . 1 1 21 21 CYS N N 21 119.701 119.701 124.849 -5.148 25269
2146 1 12 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.607 -0.334 25269
2147 1 12 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.096 -2.732 25269
2148 1 12 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.169 7.847 25269
2149 1 12 . 1 1 21 21 CYS H H 21 8.037 8.037 8.880 -0.843 25269
2150 1 12 . 1 1 22 22 ASP N N 22 119.085 119.085 118.888 0.197 25269
2151 1 12 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.515 -0.063 25269
2152 1 12 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.778 -0.851 25269
2153 1 12 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.824 -5.741 25269
2154 1 12 . 1 1 22 22 ASP H H 22 8.447 8.447 8.361 0.086 25269
2155 1 12 . 1 1 23 23 TYR N N 23 121.546 121.546 121.351 0.195 25269
2156 1 12 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.400 -0.275 25269
2157 1 12 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.101 -2.796 25269
2158 1 12 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.878 -2.155 25269
2159 1 12 . 1 1 23 23 TYR H H 23 8.037 8.037 7.881 0.156 25269
2160 1 12 . 1 1 24 24 MET N N 24 120.054 120.054 116.546 3.508 25269
2161 1 12 . 1 1 24 24 MET HA H 24 4.123 4.123 4.262 -0.139 25269
2162 1 12 . 1 1 24 24 MET CA C 24 56.163 56.163 58.188 -2.025 25269
2163 1 12 . 1 1 24 24 MET CB C 24 28.747 28.747 30.434 -1.687 25269
2164 1 12 . 1 1 24 24 MET H H 24 8.459 8.459 8.085 0.374 25269
2165 1 12 . 1 1 25 25 TYR N N 25 120.358 120.358 119.203 1.155 25269
2166 1 12 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.202 -0.078 25269
2167 1 12 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.818 -0.173 25269
2168 1 12 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.665 -2.155 25269
2169 1 12 . 1 1 25 25 TYR H H 25 8.909 8.909 7.542 1.367 25269
2170 1 12 . 1 1 26 26 SER N N 26 112.447 112.447 112.107 0.340 25269
2171 1 12 . 1 1 26 26 SER HA H 26 4.124 4.124 4.549 -0.425 25269
2172 1 12 . 1 1 26 26 SER CA C 26 58.949 58.949 58.302 0.647 25269
2173 1 12 . 1 1 26 26 SER CB C 26 60.889 60.889 63.598 -2.709 25269
2174 1 12 . 1 1 26 26 SER H H 26 8.039 8.039 7.466 0.573 25269
2175 1 12 . 1 1 27 27 HIS N N 27 116.202 116.202 115.846 0.356 25269
2176 1 12 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.404 -0.180 25269
2177 1 12 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.381 -1.975 25269
2178 1 12 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.057 -1.505 25269
2179 1 12 . 1 1 27 27 HIS H H 27 7.790 7.790 8.028 -0.238 25269
2180 1 12 . 1 1 28 28 CYS N N 28 115.699 115.699 116.209 -0.510 25269
2181 1 12 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.811 -0.586 25269
2182 1 12 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.804 -4.410 25269
2183 1 12 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.777 10.702 25269
2184 1 12 . 1 1 28 28 CYS H H 28 8.096 8.096 8.008 0.088 25269
2185 1 12 . 1 1 29 29 PHE N N 29 115.898 115.898 119.143 -3.245 25269
2186 1 12 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.851 -0.253 25269
2187 1 12 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.866 -2.813 25269
2188 1 12 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.807 -3.337 25269
2189 1 12 . 1 1 29 29 PHE H H 29 7.682 7.682 7.756 -0.074 25269
2190 1 12 . 1 1 30 30 GLY N N 30 107.941 107.941 107.549 0.392 25269
2191 1 12 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.385 -3.491 25269
2192 1 12 . 1 1 30 30 GLY H H 30 7.577 7.577 8.648 -1.071 25269
2193 1 12 . 1 1 31 31 VAL N N 31 115.625 115.625 115.379 0.246 25269
2194 1 12 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.179 -0.131 25269
2195 1 12 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.577 -3.582 25269
2196 1 12 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.088 -1.745 25269
2197 1 12 . 1 1 31 31 VAL H H 31 7.584 7.584 8.088 -0.504 25269
2198 1 12 . 1 1 32 32 LYS N N 32 123.707 123.707 120.195 3.512 25269
2199 1 12 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.760 0.436 25269
2200 1 12 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.703 -3.423 25269
2201 1 12 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.168 -1.779 25269
2202 1 12 . 1 1 32 32 LYS H H 32 8.002 8.002 7.697 0.305 25269
2203 1 12 . 1 1 33 33 HIS N N 33 119.228 119.228 118.627 0.601 25269
2204 1 12 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.700 -0.082 25269
2205 1 12 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.054 -2.701 25269
2206 1 12 . 1 1 33 33 HIS CB C 33 26.559 26.559 32.042 -5.483 25269
2207 1 12 . 1 1 33 33 HIS H H 33 8.205 8.205 8.386 -0.181 25269
2208 1 12 . 1 1 34 34 SER N N 34 114.324 114.324 123.578 -9.254 25269
2209 1 12 . 1 1 34 34 SER HA H 34 4.329 4.329 4.406 -0.077 25269
2210 1 12 . 1 1 34 34 SER CA C 34 55.392 55.392 59.761 -4.369 25269
2211 1 12 . 1 1 34 34 SER CB C 34 61.072 61.072 63.631 -2.559 25269
2212 1 12 . 1 1 34 34 SER H H 34 7.814 7.814 9.195 -1.381 25269
2213 1 12 . 1 1 35 35 SER N N 35 117.133 117.133 116.538 0.595 25269
2214 1 12 . 1 1 35 35 SER HA H 35 4.392 4.392 4.219 0.173 25269
2215 1 12 . 1 1 35 35 SER CA C 35 55.618 55.618 59.467 -3.849 25269
2216 1 12 . 1 1 35 35 SER CB C 35 61.247 61.247 63.116 -1.869 25269
2217 1 12 . 1 1 35 35 SER H H 35 8.185 8.185 8.087 0.098 25269
2218 1 12 . 1 1 36 36 GLY N N 36 107.839 107.839 108.291 -0.452 25269
2219 1 12 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.560 -2.137 25269
2220 1 12 . 1 1 36 36 GLY H H 36 8.021 8.021 7.250 0.771 25269
2221 1 12 . 1 1 37 37 GLY N N 37 109.587 109.587 107.520 2.067 25269
2222 1 12 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.419 -1.832 25269
2223 1 12 . 1 1 37 37 GLY H H 37 8.159 8.159 7.831 0.328 25269
2224 1 12 . 1 1 38 38 GLY N N 38 107.839 107.839 108.470 -0.631 25269
2225 1 12 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.276 -2.853 25269
2226 1 12 . 1 1 38 38 GLY H H 38 8.047 8.047 8.348 -0.301 25269
2227 1 12 . 1 1 39 39 GLY N N 39 107.993 107.993 109.136 -1.143 25269
2228 1 12 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.580 -2.037 25269
2229 1 12 . 1 1 39 39 GLY H H 39 8.095 8.095 7.962 0.133 25269
2230 1 12 . 1 1 40 40 SER N N 40 116.643 116.643 120.148 -3.505 25269
2231 1 12 . 1 1 40 40 SER HA H 40 4.394 4.394 4.492 -0.098 25269
2232 1 12 . 1 1 40 40 SER CA C 40 55.388 55.388 56.394 -1.006 25269
2233 1 12 . 1 1 40 40 SER CB C 40 61.227 61.227 63.531 -2.304 25269
2234 1 12 . 1 1 40 40 SER H H 40 8.079 8.079 8.361 -0.282 25269
2235 1 12 . 1 1 41 41 TYR N N 41 120.646 120.646 127.878 -7.232 25269
2236 1 12 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.476 -0.025 25269
2237 1 12 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.414 -3.289 25269
2238 1 12 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.849 -1.837 25269
2239 1 12 . 1 1 41 41 TYR H H 41 7.854 7.854 8.674 -0.820 25269
2240 1 12 . 1 1 42 42 HIS N N 42 118.252 118.252 119.511 -1.259 25269
2241 1 12 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.627 -0.020 25269
2242 1 12 . 1 1 42 42 HIS CA C 42 51.920 51.920 54.811 -2.891 25269
2243 1 12 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.769 -2.661 25269
2244 1 12 . 1 1 42 42 HIS H H 42 7.806 7.806 7.961 -0.155 25269
2245 1 13 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.178 -0.043 25269
2246 1 13 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.900 -1.795 25269
2247 1 13 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.582 -2.529 25269
2248 1 13 . 1 1 3 3 ALA N N 3 124.626 124.626 119.052 5.574 25269
2249 1 13 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.053 0.119 25269
2250 1 13 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.103 -2.513 25269
2251 1 13 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.778 -2.868 25269
2252 1 13 . 1 1 3 3 ALA H H 3 8.259 8.259 8.275 -0.016 25269
2253 1 13 . 1 1 4 4 TRP N N 4 117.335 117.335 113.033 4.302 25269
2254 1 13 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.696 -0.427 25269
2255 1 13 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.120 4.974 25269
2256 1 13 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.508 -1.266 25269
2257 1 13 . 1 1 4 4 TRP H H 4 7.581 7.581 6.817 0.764 25269
2258 1 13 . 1 1 5 5 CYS N N 5 117.878 117.878 118.529 -0.651 25269
2259 1 13 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.834 -0.630 25269
2260 1 13 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.539 -3.426 25269
2261 1 13 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.381 5.991 25269
2262 1 13 . 1 1 5 5 CYS H H 5 7.880 7.880 7.108 0.772 25269
2263 1 13 . 1 1 6 6 TRP N N 6 120.116 120.116 121.552 -1.436 25269
2264 1 13 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.307 1.072 25269
2265 1 13 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.381 -3.335 25269
2266 1 13 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.578 -3.030 25269
2267 1 13 . 1 1 6 6 TRP H H 6 7.514 7.514 8.394 -0.880 25269
2268 1 13 . 1 1 7 7 TYR N N 7 117.617 117.617 114.856 2.761 25269
2269 1 13 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.132 0.074 25269
2270 1 13 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.198 -0.842 25269
2271 1 13 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.211 -1.619 25269
2272 1 13 . 1 1 7 7 TYR H H 7 7.758 7.758 8.410 -0.652 25269
2273 1 13 . 1 1 8 8 THR N N 8 114.013 114.013 106.768 7.245 25269
2274 1 13 . 1 1 8 8 THR HA H 8 3.807 3.807 4.181 -0.374 25269
2275 1 13 . 1 1 8 8 THR CA C 8 63.506 63.506 63.426 0.080 25269
2276 1 13 . 1 1 8 8 THR CB C 8 65.965 65.965 67.308 -1.343 25269
2277 1 13 . 1 1 8 8 THR H H 8 7.843 7.843 8.436 -0.593 25269
2278 1 13 . 1 1 9 9 LEU N N 9 121.631 121.631 121.595 0.036 25269
2279 1 13 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.298 -0.358 25269
2280 1 13 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.309 -0.918 25269
2281 1 13 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.557 -3.882 25269
2282 1 13 . 1 1 9 9 LEU H H 9 7.750 7.750 7.940 -0.190 25269
2283 1 13 . 1 1 10 10 ALA N N 10 120.229 120.229 118.944 1.285 25269
2284 1 13 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.926 0.079 25269
2285 1 13 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.842 -1.208 25269
2286 1 13 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.524 -1.966 25269
2287 1 13 . 1 1 10 10 ALA H H 10 7.592 7.592 8.084 -0.492 25269
2288 1 13 . 1 1 11 11 MET N N 11 114.827 114.827 115.517 -0.690 25269
2289 1 13 . 1 1 11 11 MET HA H 11 3.800 3.800 4.062 -0.262 25269
2290 1 13 . 1 1 11 11 MET CA C 11 55.416 55.416 55.110 0.306 25269
2291 1 13 . 1 1 11 11 MET CB C 11 30.203 30.203 32.045 -1.842 25269
2292 1 13 . 1 1 11 11 MET H H 11 7.788 7.788 8.213 -0.425 25269
2293 1 13 . 1 1 12 12 CYS N N 12 117.096 117.096 118.752 -1.656 25269
2294 1 13 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.556 0.005 25269
2295 1 13 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.989 -3.438 25269
2296 1 13 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.147 11.586 25269
2297 1 13 . 1 1 12 12 CYS H H 12 8.155 8.155 7.579 0.576 25269
2298 1 13 . 1 1 13 13 GLY N N 13 108.467 108.467 111.435 -2.968 25269
2299 1 13 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.020 -2.551 25269
2300 1 13 . 1 1 13 13 GLY H H 13 8.112 8.112 8.710 -0.598 25269
2301 1 13 . 1 1 14 14 ALA N N 14 121.448 121.448 121.425 0.023 25269
2302 1 13 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.495 -0.195 25269
2303 1 13 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.304 -1.841 25269
2304 1 13 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.412 -3.065 25269
2305 1 13 . 1 1 14 14 ALA H H 14 7.662 7.662 7.854 -0.192 25269
2306 1 13 . 1 1 15 15 GLY N N 15 104.928 104.928 107.284 -2.356 25269
2307 1 13 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.417 -3.686 25269
2308 1 13 . 1 1 15 15 GLY H H 15 7.695 7.695 8.361 -0.666 25269
2309 1 13 . 1 1 16 16 TYR N N 16 118.658 118.658 119.166 -0.508 25269
2310 1 13 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.502 -0.037 25269
2311 1 13 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.430 -4.211 25269
2312 1 13 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.852 -3.793 25269
2313 1 13 . 1 1 16 16 TYR H H 16 7.604 7.604 8.201 -0.597 25269
2314 1 13 . 1 1 17 17 ASP N N 17 118.647 118.647 117.242 1.405 25269
2315 1 13 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.768 -0.164 25269
2316 1 13 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.359 -3.061 25269
2317 1 13 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.846 -6.774 25269
2318 1 13 . 1 1 17 17 ASP H H 17 7.919 7.919 7.767 0.152 25269
2319 1 13 . 1 1 18 18 SER N N 18 116.466 116.466 116.505 -0.039 25269
2320 1 13 . 1 1 18 18 SER HA H 18 4.272 4.272 4.497 -0.225 25269
2321 1 13 . 1 1 18 18 SER CA C 18 55.383 55.383 58.305 -2.922 25269
2322 1 13 . 1 1 18 18 SER CB C 18 67.330 67.330 61.837 5.493 25269
2323 1 13 . 1 1 18 18 SER H H 18 8.039 8.039 8.546 -0.507 25269
2324 1 13 . 1 1 19 19 GLY N N 19 111.185 111.185 110.124 1.061 25269
2325 1 13 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.150 -1.875 25269
2326 1 13 . 1 1 19 19 GLY H H 19 8.331 8.331 8.036 0.295 25269
2327 1 13 . 1 1 20 20 THR N N 20 116.439 116.439 114.592 1.847 25269
2328 1 13 . 1 1 20 20 THR HA H 20 4.110 4.110 4.426 -0.316 25269
2329 1 13 . 1 1 20 20 THR CA C 20 62.430 62.430 62.477 -0.047 25269
2330 1 13 . 1 1 20 20 THR CB C 20 65.863 65.863 70.195 -4.332 25269
2331 1 13 . 1 1 20 20 THR H H 20 7.850 7.850 7.856 -0.006 25269
2332 1 13 . 1 1 21 21 CYS N N 21 119.701 119.701 125.129 -5.428 25269
2333 1 13 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.587 -0.314 25269
2334 1 13 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.029 -2.665 25269
2335 1 13 . 1 1 21 21 CYS CB C 21 38.016 38.016 29.999 8.017 25269
2336 1 13 . 1 1 21 21 CYS H H 21 8.037 8.037 8.931 -0.893 25269
2337 1 13 . 1 1 22 22 ASP N N 22 119.085 119.085 119.117 -0.032 25269
2338 1 13 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.561 -0.109 25269
2339 1 13 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.697 -0.770 25269
2340 1 13 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.666 -5.583 25269
2341 1 13 . 1 1 22 22 ASP H H 22 8.447 8.447 8.169 0.278 25269
2342 1 13 . 1 1 23 23 TYR N N 23 121.546 121.546 121.020 0.526 25269
2343 1 13 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.398 -0.273 25269
2344 1 13 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.709 -2.404 25269
2345 1 13 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.841 -2.118 25269
2346 1 13 . 1 1 23 23 TYR H H 23 8.037 8.037 7.748 0.289 25269
2347 1 13 . 1 1 24 24 MET N N 24 120.054 120.054 116.649 3.405 25269
2348 1 13 . 1 1 24 24 MET HA H 24 4.123 4.123 4.276 -0.153 25269
2349 1 13 . 1 1 24 24 MET CA C 24 56.163 56.163 58.243 -2.080 25269
2350 1 13 . 1 1 24 24 MET CB C 24 28.747 28.747 30.471 -1.724 25269
2351 1 13 . 1 1 24 24 MET H H 24 8.459 8.459 8.078 0.381 25269
2352 1 13 . 1 1 25 25 TYR N N 25 120.358 120.358 118.616 1.742 25269
2353 1 13 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.197 -0.073 25269
2354 1 13 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.997 -0.352 25269
2355 1 13 . 1 1 25 25 TYR CB C 25 35.510 35.510 38.032 -2.522 25269
2356 1 13 . 1 1 25 25 TYR H H 25 8.909 8.909 7.398 1.511 25269
2357 1 13 . 1 1 26 26 SER N N 26 112.447 112.447 113.150 -0.703 25269
2358 1 13 . 1 1 26 26 SER HA H 26 4.124 4.124 4.371 -0.247 25269
2359 1 13 . 1 1 26 26 SER CA C 26 58.949 58.949 58.254 0.695 25269
2360 1 13 . 1 1 26 26 SER CB C 26 60.889 60.889 63.370 -2.481 25269
2361 1 13 . 1 1 26 26 SER H H 26 8.039 8.039 7.418 0.621 25269
2362 1 13 . 1 1 27 27 HIS N N 27 116.202 116.202 116.164 0.038 25269
2363 1 13 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.402 -0.178 25269
2364 1 13 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.203 -1.798 25269
2365 1 13 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.076 -1.524 25269
2366 1 13 . 1 1 27 27 HIS H H 27 7.790 7.790 7.845 -0.055 25269
2367 1 13 . 1 1 28 28 CYS N N 28 115.699 115.699 116.284 -0.585 25269
2368 1 13 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.823 -0.598 25269
2369 1 13 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.721 -4.327 25269
2370 1 13 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.915 10.564 25269
2371 1 13 . 1 1 28 28 CYS H H 28 8.096 8.096 8.052 0.044 25269
2372 1 13 . 1 1 29 29 PHE N N 29 115.898 115.898 119.047 -3.149 25269
2373 1 13 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.886 -0.288 25269
2374 1 13 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.803 -2.750 25269
2375 1 13 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.816 -3.345 25269
2376 1 13 . 1 1 29 29 PHE H H 29 7.682 7.682 7.778 -0.096 25269
2377 1 13 . 1 1 30 30 GLY N N 30 107.941 107.941 107.739 0.202 25269
2378 1 13 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.547 -3.653 25269
2379 1 13 . 1 1 30 30 GLY H H 30 7.577 7.577 8.750 -1.173 25269
2380 1 13 . 1 1 31 31 VAL N N 31 115.625 115.625 112.291 3.334 25269
2381 1 13 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.180 -0.132 25269
2382 1 13 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.209 -3.214 25269
2383 1 13 . 1 1 31 31 VAL CB C 31 30.343 30.343 31.953 -1.610 25269
2384 1 13 . 1 1 31 31 VAL H H 31 7.584 7.584 7.836 -0.252 25269
2385 1 13 . 1 1 32 32 LYS N N 32 123.707 123.707 121.329 2.378 25269
2386 1 13 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.527 0.669 25269
2387 1 13 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.318 -3.038 25269
2388 1 13 . 1 1 32 32 LYS CB C 32 30.389 30.389 31.789 -1.400 25269
2389 1 13 . 1 1 32 32 LYS H H 32 8.002 8.002 7.790 0.212 25269
2390 1 13 . 1 1 33 33 HIS N N 33 119.228 119.228 120.644 -1.416 25269
2391 1 13 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.580 0.038 25269
2392 1 13 . 1 1 33 33 HIS CA C 33 52.353 52.353 56.359 -4.006 25269
2393 1 13 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.682 -4.123 25269
2394 1 13 . 1 1 33 33 HIS H H 33 8.205 8.205 8.162 0.043 25269
2395 1 13 . 1 1 34 34 SER N N 34 114.324 114.324 115.548 -1.224 25269
2396 1 13 . 1 1 34 34 SER HA H 34 4.329 4.329 4.793 -0.464 25269
2397 1 13 . 1 1 34 34 SER CA C 34 55.392 55.392 57.852 -2.460 25269
2398 1 13 . 1 1 34 34 SER CB C 34 61.072 61.072 64.126 -3.054 25269
2399 1 13 . 1 1 34 34 SER H H 34 7.814 7.814 8.494 -0.680 25269
2400 1 13 . 1 1 35 35 SER N N 35 117.133 117.133 121.715 -4.582 25269
2401 1 13 . 1 1 35 35 SER HA H 35 4.392 4.392 4.626 -0.234 25269
2402 1 13 . 1 1 35 35 SER CA C 35 55.618 55.618 57.957 -2.339 25269
2403 1 13 . 1 1 35 35 SER CB C 35 61.247 61.247 64.236 -2.989 25269
2404 1 13 . 1 1 35 35 SER H H 35 8.185 8.185 8.227 -0.042 25269
2405 1 13 . 1 1 36 36 GLY N N 36 107.839 107.839 109.393 -1.554 25269
2406 1 13 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.899 -2.476 25269
2407 1 13 . 1 1 36 36 GLY H H 36 8.021 8.021 8.559 -0.538 25269
2408 1 13 . 1 1 37 37 GLY N N 37 109.587 109.587 110.179 -0.592 25269
2409 1 13 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.604 -3.017 25269
2410 1 13 . 1 1 37 37 GLY H H 37 8.159 8.159 8.348 -0.189 25269
2411 1 13 . 1 1 38 38 GLY N N 38 107.839 107.839 109.071 -1.232 25269
2412 1 13 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.614 -2.191 25269
2413 1 13 . 1 1 38 38 GLY H H 38 8.047 8.047 8.323 -0.276 25269
2414 1 13 . 1 1 39 39 GLY N N 39 107.993 107.993 110.167 -2.174 25269
2415 1 13 . 1 1 39 39 GLY CA C 39 42.543 42.543 46.031 -3.488 25269
2416 1 13 . 1 1 39 39 GLY H H 39 8.095 8.095 7.765 0.330 25269
2417 1 13 . 1 1 40 40 SER N N 40 116.643 116.643 116.999 -0.356 25269
2418 1 13 . 1 1 40 40 SER HA H 40 4.394 4.394 4.184 0.210 25269
2419 1 13 . 1 1 40 40 SER CA C 40 55.388 55.388 60.978 -5.590 25269
2420 1 13 . 1 1 40 40 SER CB C 40 61.227 61.227 63.193 -1.966 25269
2421 1 13 . 1 1 40 40 SER H H 40 8.079 8.079 8.579 -0.500 25269
2422 1 13 . 1 1 41 41 TYR N N 41 120.646 120.646 120.584 0.062 25269
2423 1 13 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.328 0.123 25269
2424 1 13 . 1 1 41 41 TYR CA C 41 55.125 55.125 60.017 -4.893 25269
2425 1 13 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.489 -2.476 25269
2426 1 13 . 1 1 41 41 TYR H H 41 7.854 7.854 7.870 -0.016 25269
2427 1 13 . 1 1 42 42 HIS N N 42 118.252 118.252 117.721 0.531 25269
2428 1 13 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.265 0.342 25269
2429 1 13 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.347 -4.427 25269
2430 1 13 . 1 1 42 42 HIS CB C 42 27.108 27.108 30.191 -3.083 25269
2431 1 13 . 1 1 42 42 HIS H H 42 7.806 7.806 8.325 -0.519 25269
2432 1 14 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.134 0.001 25269
2433 1 14 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.929 -1.825 25269
2434 1 14 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.431 -2.378 25269
2435 1 14 . 1 1 3 3 ALA N N 3 124.626 124.626 118.982 5.644 25269
2436 1 14 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.134 0.038 25269
2437 1 14 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.969 -2.379 25269
2438 1 14 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.800 -2.890 25269
2439 1 14 . 1 1 3 3 ALA H H 3 8.259 8.259 8.265 -0.006 25269
2440 1 14 . 1 1 4 4 TRP N N 4 117.335 117.335 112.911 4.424 25269
2441 1 14 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.620 -0.351 25269
2442 1 14 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.263 4.831 25269
2443 1 14 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.458 -1.216 25269
2444 1 14 . 1 1 4 4 TRP H H 4 7.581 7.581 6.806 0.775 25269
2445 1 14 . 1 1 5 5 CYS N N 5 117.878 117.878 118.276 -0.398 25269
2446 1 14 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.815 -0.611 25269
2447 1 14 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.358 -3.245 25269
2448 1 14 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.303 6.069 25269
2449 1 14 . 1 1 5 5 CYS H H 5 7.880 7.880 7.050 0.830 25269
2450 1 14 . 1 1 6 6 TRP N N 6 120.116 120.116 121.589 -1.473 25269
2451 1 14 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.280 1.099 25269
2452 1 14 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.038 -2.991 25269
2453 1 14 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.558 -3.010 25269
2454 1 14 . 1 1 6 6 TRP H H 6 7.514 7.514 8.209 -0.695 25269
2455 1 14 . 1 1 7 7 TYR N N 7 117.617 117.617 115.588 2.029 25269
2456 1 14 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.074 0.132 25269
2457 1 14 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.483 -1.127 25269
2458 1 14 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.001 -1.409 25269
2459 1 14 . 1 1 7 7 TYR H H 7 7.758 7.758 8.416 -0.658 25269
2460 1 14 . 1 1 8 8 THR N N 8 114.013 114.013 106.120 7.893 25269
2461 1 14 . 1 1 8 8 THR HA H 8 3.807 3.807 4.189 -0.382 25269
2462 1 14 . 1 1 8 8 THR CA C 8 63.506 63.506 63.294 0.212 25269
2463 1 14 . 1 1 8 8 THR CB C 8 65.965 65.965 67.544 -1.579 25269
2464 1 14 . 1 1 8 8 THR H H 8 7.843 7.843 8.275 -0.432 25269
2465 1 14 . 1 1 9 9 LEU N N 9 121.631 121.631 120.791 0.840 25269
2466 1 14 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.272 -0.332 25269
2467 1 14 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.285 -0.894 25269
2468 1 14 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.526 -3.851 25269
2469 1 14 . 1 1 9 9 LEU H H 9 7.750 7.750 8.087 -0.337 25269
2470 1 14 . 1 1 10 10 ALA N N 10 120.229 120.229 118.665 1.564 25269
2471 1 14 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.894 0.111 25269
2472 1 14 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.905 -1.271 25269
2473 1 14 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.386 -1.828 25269
2474 1 14 . 1 1 10 10 ALA H H 10 7.592 7.592 8.012 -0.420 25269
2475 1 14 . 1 1 11 11 MET N N 11 114.827 114.827 115.237 -0.410 25269
2476 1 14 . 1 1 11 11 MET HA H 11 3.800 3.800 3.655 0.145 25269
2477 1 14 . 1 1 11 11 MET CA C 11 55.416 55.416 55.568 -0.152 25269
2478 1 14 . 1 1 11 11 MET CB C 11 30.203 30.203 32.225 -2.022 25269
2479 1 14 . 1 1 11 11 MET H H 11 7.788 7.788 8.108 -0.320 25269
2480 1 14 . 1 1 12 12 CYS N N 12 117.096 117.096 116.994 0.102 25269
2481 1 14 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.579 -0.018 25269
2482 1 14 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.655 -3.104 25269
2483 1 14 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.510 11.223 25269
2484 1 14 . 1 1 12 12 CYS H H 12 8.155 8.155 7.490 0.665 25269
2485 1 14 . 1 1 13 13 GLY N N 13 108.467 108.467 111.356 -2.889 25269
2486 1 14 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.118 -2.649 25269
2487 1 14 . 1 1 13 13 GLY H H 13 8.112 8.112 8.715 -0.603 25269
2488 1 14 . 1 1 14 14 ALA N N 14 121.448 121.448 121.434 0.014 25269
2489 1 14 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.519 -0.219 25269
2490 1 14 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.103 -1.640 25269
2491 1 14 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.336 -2.989 25269
2492 1 14 . 1 1 14 14 ALA H H 14 7.662 7.662 7.786 -0.124 25269
2493 1 14 . 1 1 15 15 GLY N N 15 104.928 104.928 107.131 -2.203 25269
2494 1 14 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.401 -3.670 25269
2495 1 14 . 1 1 15 15 GLY H H 15 7.695 7.695 8.375 -0.680 25269
2496 1 14 . 1 1 16 16 TYR N N 16 118.658 118.658 119.702 -1.044 25269
2497 1 14 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.482 -0.017 25269
2498 1 14 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.601 -4.382 25269
2499 1 14 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.906 -3.847 25269
2500 1 14 . 1 1 16 16 TYR H H 16 7.604 7.604 8.279 -0.675 25269
2501 1 14 . 1 1 17 17 ASP N N 17 118.647 118.647 117.108 1.539 25269
2502 1 14 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.882 -0.278 25269
2503 1 14 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.338 -3.040 25269
2504 1 14 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.820 -6.748 25269
2505 1 14 . 1 1 17 17 ASP H H 17 7.919 7.919 7.895 0.024 25269
2506 1 14 . 1 1 18 18 SER N N 18 116.466 116.466 116.685 -0.219 25269
2507 1 14 . 1 1 18 18 SER HA H 18 4.272 4.272 4.489 -0.217 25269
2508 1 14 . 1 1 18 18 SER CA C 18 55.383 55.383 58.214 -2.831 25269
2509 1 14 . 1 1 18 18 SER CB C 18 67.330 67.330 61.682 5.648 25269
2510 1 14 . 1 1 18 18 SER H H 18 8.039 8.039 8.496 -0.457 25269
2511 1 14 . 1 1 19 19 GLY N N 19 111.185 111.185 110.651 0.534 25269
2512 1 14 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.064 -1.790 25269
2513 1 14 . 1 1 19 19 GLY H H 19 8.331 8.331 8.018 0.313 25269
2514 1 14 . 1 1 20 20 THR N N 20 116.439 116.439 114.969 1.470 25269
2515 1 14 . 1 1 20 20 THR HA H 20 4.110 4.110 4.478 -0.368 25269
2516 1 14 . 1 1 20 20 THR CA C 20 62.430 62.430 62.956 -0.527 25269
2517 1 14 . 1 1 20 20 THR CB C 20 65.863 65.863 70.008 -4.145 25269
2518 1 14 . 1 1 20 20 THR H H 20 7.850 7.850 7.955 -0.105 25269
2519 1 14 . 1 1 21 21 CYS N N 21 119.701 119.701 124.859 -5.158 25269
2520 1 14 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.637 -0.364 25269
2521 1 14 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.989 -2.625 25269
2522 1 14 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.763 7.253 25269
2523 1 14 . 1 1 21 21 CYS H H 21 8.037 8.037 8.915 -0.878 25269
2524 1 14 . 1 1 22 22 ASP N N 22 119.085 119.085 118.890 0.195 25269
2525 1 14 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.624 -0.172 25269
2526 1 14 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.695 -0.768 25269
2527 1 14 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.705 -5.622 25269
2528 1 14 . 1 1 22 22 ASP H H 22 8.447 8.447 8.167 0.280 25269
2529 1 14 . 1 1 23 23 TYR N N 23 121.546 121.546 119.166 2.380 25269
2530 1 14 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.368 -0.243 25269
2531 1 14 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.131 -2.826 25269
2532 1 14 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.903 -2.179 25269
2533 1 14 . 1 1 23 23 TYR H H 23 8.037 8.037 7.744 0.293 25269
2534 1 14 . 1 1 24 24 MET N N 24 120.054 120.054 116.546 3.508 25269
2535 1 14 . 1 1 24 24 MET HA H 24 4.123 4.123 4.171 -0.048 25269
2536 1 14 . 1 1 24 24 MET CA C 24 56.163 56.163 58.157 -1.994 25269
2537 1 14 . 1 1 24 24 MET CB C 24 28.747 28.747 30.204 -1.457 25269
2538 1 14 . 1 1 24 24 MET H H 24 8.459 8.459 8.088 0.371 25269
2539 1 14 . 1 1 25 25 TYR N N 25 120.358 120.358 118.808 1.550 25269
2540 1 14 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.272 -0.148 25269
2541 1 14 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.055 0.590 25269
2542 1 14 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.412 -1.902 25269
2543 1 14 . 1 1 25 25 TYR H H 25 8.909 8.909 7.469 1.440 25269
2544 1 14 . 1 1 26 26 SER N N 26 112.447 112.447 112.156 0.291 25269
2545 1 14 . 1 1 26 26 SER HA H 26 4.124 4.124 4.376 -0.252 25269
2546 1 14 . 1 1 26 26 SER CA C 26 58.949 58.949 58.004 0.945 25269
2547 1 14 . 1 1 26 26 SER CB C 26 60.889 60.889 63.431 -2.542 25269
2548 1 14 . 1 1 26 26 SER H H 26 8.039 8.039 7.435 0.604 25269
2549 1 14 . 1 1 27 27 HIS N N 27 116.202 116.202 116.791 -0.589 25269
2550 1 14 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.353 -0.129 25269
2551 1 14 . 1 1 27 27 HIS CA C 27 55.406 55.406 56.793 -1.387 25269
2552 1 14 . 1 1 27 27 HIS CB C 27 25.552 25.552 28.280 -2.728 25269
2553 1 14 . 1 1 27 27 HIS H H 27 7.790 7.790 8.184 -0.394 25269
2554 1 14 . 1 1 28 28 CYS N N 28 115.699 115.699 116.317 -0.618 25269
2555 1 14 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.697 -0.472 25269
2556 1 14 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.543 -4.149 25269
2557 1 14 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.201 11.278 25269
2558 1 14 . 1 1 28 28 CYS H H 28 8.096 8.096 8.063 0.033 25269
2559 1 14 . 1 1 29 29 PHE N N 29 115.898 115.898 119.472 -3.574 25269
2560 1 14 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.808 -0.210 25269
2561 1 14 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.032 -1.980 25269
2562 1 14 . 1 1 29 29 PHE CB C 29 37.470 37.470 39.901 -2.431 25269
2563 1 14 . 1 1 29 29 PHE H H 29 7.682 7.682 7.839 -0.157 25269
2564 1 14 . 1 1 30 30 GLY N N 30 107.941 107.941 108.422 -0.481 25269
2565 1 14 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.871 -3.977 25269
2566 1 14 . 1 1 30 30 GLY H H 30 7.577 7.577 8.787 -1.210 25269
2567 1 14 . 1 1 31 31 VAL N N 31 115.625 115.625 114.495 1.130 25269
2568 1 14 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.189 -0.141 25269
2569 1 14 . 1 1 31 31 VAL CA C 31 58.995 58.995 63.577 -4.582 25269
2570 1 14 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.451 -2.108 25269
2571 1 14 . 1 1 31 31 VAL H H 31 7.584 7.584 8.084 -0.500 25269
2572 1 14 . 1 1 32 32 LYS N N 32 123.707 123.707 117.904 5.803 25269
2573 1 14 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.656 -0.460 25269
2574 1 14 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.146 -1.866 25269
2575 1 14 . 1 1 32 32 LYS CB C 32 30.389 30.389 35.021 -4.632 25269
2576 1 14 . 1 1 32 32 LYS H H 32 8.002 8.002 7.910 0.092 25269
2577 1 14 . 1 1 33 33 HIS N N 33 119.228 119.228 117.719 1.509 25269
2578 1 14 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.819 -0.201 25269
2579 1 14 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.468 -3.115 25269
2580 1 14 . 1 1 33 33 HIS CB C 33 26.559 26.559 33.454 -6.895 25269
2581 1 14 . 1 1 33 33 HIS H H 33 8.205 8.205 8.439 -0.234 25269
2582 1 14 . 1 1 34 34 SER N N 34 114.324 114.324 116.321 -1.997 25269
2583 1 14 . 1 1 34 34 SER HA H 34 4.329 4.329 4.479 -0.150 25269
2584 1 14 . 1 1 34 34 SER CA C 34 55.392 55.392 56.847 -1.455 25269
2585 1 14 . 1 1 34 34 SER CB C 34 61.072 61.072 63.951 -2.879 25269
2586 1 14 . 1 1 34 34 SER H H 34 7.814 7.814 7.977 -0.163 25269
2587 1 14 . 1 1 35 35 SER N N 35 117.133 117.133 121.499 -4.366 25269
2588 1 14 . 1 1 35 35 SER HA H 35 4.392 4.392 4.229 0.163 25269
2589 1 14 . 1 1 35 35 SER CA C 35 55.618 55.618 59.762 -4.144 25269
2590 1 14 . 1 1 35 35 SER CB C 35 61.247 61.247 63.194 -1.947 25269
2591 1 14 . 1 1 35 35 SER H H 35 8.185 8.185 8.641 -0.456 25269
2592 1 14 . 1 1 36 36 GLY N N 36 107.839 107.839 108.075 -0.236 25269
2593 1 14 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.364 -1.941 25269
2594 1 14 . 1 1 36 36 GLY H H 36 8.021 8.021 8.341 -0.320 25269
2595 1 14 . 1 1 37 37 GLY N N 37 109.587 109.587 106.901 2.686 25269
2596 1 14 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.913 -2.326 25269
2597 1 14 . 1 1 37 37 GLY H H 37 8.159 8.159 8.130 0.029 25269
2598 1 14 . 1 1 38 38 GLY N N 38 107.839 107.839 106.482 1.357 25269
2599 1 14 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.919 -3.497 25269
2600 1 14 . 1 1 38 38 GLY H H 38 8.047 8.047 8.613 -0.566 25269
2601 1 14 . 1 1 39 39 GLY N N 39 107.993 107.993 109.950 -1.957 25269
2602 1 14 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.002 -2.459 25269
2603 1 14 . 1 1 39 39 GLY H H 39 8.095 8.095 8.562 -0.467 25269
2604 1 14 . 1 1 40 40 SER N N 40 116.643 116.643 117.524 -0.881 25269
2605 1 14 . 1 1 40 40 SER HA H 40 4.394 4.394 4.749 -0.355 25269
2606 1 14 . 1 1 40 40 SER CA C 40 55.388 55.388 57.760 -2.372 25269
2607 1 14 . 1 1 40 40 SER CB C 40 61.227 61.227 63.280 -2.053 25269
2608 1 14 . 1 1 40 40 SER H H 40 8.079 8.079 8.683 -0.604 25269
2609 1 14 . 1 1 41 41 TYR N N 41 120.646 120.646 119.156 1.490 25269
2610 1 14 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.446 0.005 25269
2611 1 14 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.959 -3.834 25269
2612 1 14 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.270 -1.257 25269
2613 1 14 . 1 1 41 41 TYR H H 41 7.854 7.854 8.072 -0.218 25269
2614 1 14 . 1 1 42 42 HIS N N 42 118.252 118.252 118.214 0.038 25269
2615 1 14 . 1 1 42 42 HIS HA H 42 4.607 4.607 3.948 0.659 25269
2616 1 14 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.147 -4.227 25269
2617 1 14 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.987 -2.879 25269
2618 1 14 . 1 1 42 42 HIS H H 42 7.806 7.806 7.925 -0.119 25269
2619 1 15 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.178 -0.043 25269
2620 1 15 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.889 -1.784 25269
2621 1 15 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.603 -2.550 25269
2622 1 15 . 1 1 3 3 ALA N N 3 124.626 124.626 120.334 4.292 25269
2623 1 15 . 1 1 3 3 ALA HA H 3 4.172 4.172 3.995 0.177 25269
2624 1 15 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.061 -2.471 25269
2625 1 15 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.947 -3.037 25269
2626 1 15 . 1 1 3 3 ALA H H 3 8.259 8.259 8.198 0.061 25269
2627 1 15 . 1 1 4 4 TRP N N 4 117.335 117.335 112.745 4.590 25269
2628 1 15 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.628 -0.359 25269
2629 1 15 . 1 1 4 4 TRP CA C 4 59.094 59.094 53.844 5.250 25269
2630 1 15 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.810 -1.568 25269
2631 1 15 . 1 1 4 4 TRP H H 4 7.581 7.581 6.753 0.828 25269
2632 1 15 . 1 1 5 5 CYS N N 5 117.878 117.878 118.712 -0.834 25269
2633 1 15 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.801 -0.597 25269
2634 1 15 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.358 -3.245 25269
2635 1 15 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.006 6.366 25269
2636 1 15 . 1 1 5 5 CYS H H 5 7.880 7.880 7.176 0.704 25269
2637 1 15 . 1 1 6 6 TRP N N 6 120.116 120.116 121.594 -1.478 25269
2638 1 15 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.326 1.053 25269
2639 1 15 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.292 -3.246 25269
2640 1 15 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.597 -3.049 25269
2641 1 15 . 1 1 6 6 TRP H H 6 7.514 7.514 8.402 -0.888 25269
2642 1 15 . 1 1 7 7 TYR N N 7 117.617 117.617 115.677 1.940 25269
2643 1 15 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.086 0.120 25269
2644 1 15 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.468 -1.112 25269
2645 1 15 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.004 -1.411 25269
2646 1 15 . 1 1 7 7 TYR H H 7 7.758 7.758 8.401 -0.643 25269
2647 1 15 . 1 1 8 8 THR N N 8 114.013 114.013 106.086 7.927 25269
2648 1 15 . 1 1 8 8 THR HA H 8 3.807 3.807 4.212 -0.405 25269
2649 1 15 . 1 1 8 8 THR CA C 8 63.506 63.506 63.180 0.326 25269
2650 1 15 . 1 1 8 8 THR CB C 8 65.965 65.965 67.588 -1.623 25269
2651 1 15 . 1 1 8 8 THR H H 8 7.843 7.843 8.277 -0.434 25269
2652 1 15 . 1 1 9 9 LEU N N 9 121.631 121.631 120.846 0.785 25269
2653 1 15 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.320 -0.380 25269
2654 1 15 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.205 -0.814 25269
2655 1 15 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.610 -3.935 25269
2656 1 15 . 1 1 9 9 LEU H H 9 7.750 7.750 7.964 -0.214 25269
2657 1 15 . 1 1 10 10 ALA N N 10 120.229 120.229 119.431 0.798 25269
2658 1 15 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.938 0.067 25269
2659 1 15 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.818 -1.184 25269
2660 1 15 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.300 -1.742 25269
2661 1 15 . 1 1 10 10 ALA H H 10 7.592 7.592 8.101 -0.509 25269
2662 1 15 . 1 1 11 11 MET N N 11 114.827 114.827 113.733 1.094 25269
2663 1 15 . 1 1 11 11 MET HA H 11 3.800 3.800 4.361 -0.561 25269
2664 1 15 . 1 1 11 11 MET CA C 11 55.416 55.416 56.951 -1.535 25269
2665 1 15 . 1 1 11 11 MET CB C 11 30.203 30.203 32.511 -2.308 25269
2666 1 15 . 1 1 11 11 MET H H 11 7.788 7.788 7.985 -0.197 25269
2667 1 15 . 1 1 12 12 CYS N N 12 117.096 117.096 119.898 -2.802 25269
2668 1 15 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.361 0.200 25269
2669 1 15 . 1 1 12 12 CYS CA C 12 55.551 55.551 61.380 -5.830 25269
2670 1 15 . 1 1 12 12 CYS CB C 12 39.733 39.733 27.007 12.726 25269
2671 1 15 . 1 1 12 12 CYS H H 12 8.155 8.155 7.963 0.192 25269
2672 1 15 . 1 1 13 13 GLY N N 13 108.467 108.467 111.476 -3.009 25269
2673 1 15 . 1 1 13 13 GLY CA C 13 43.469 43.469 45.987 -2.518 25269
2674 1 15 . 1 1 13 13 GLY H H 13 8.112 8.112 8.843 -0.731 25269
2675 1 15 . 1 1 14 14 ALA N N 14 121.448 121.448 121.268 0.180 25269
2676 1 15 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.496 -0.196 25269
2677 1 15 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.708 -2.245 25269
2678 1 15 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.525 -3.178 25269
2679 1 15 . 1 1 14 14 ALA H H 14 7.662 7.662 7.718 -0.056 25269
2680 1 15 . 1 1 15 15 GLY N N 15 104.928 104.928 107.810 -2.882 25269
2681 1 15 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.651 -3.920 25269
2682 1 15 . 1 1 15 15 GLY H H 15 7.695 7.695 8.358 -0.663 25269
2683 1 15 . 1 1 16 16 TYR N N 16 118.658 118.658 118.757 -0.099 25269
2684 1 15 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.535 -0.070 25269
2685 1 15 . 1 1 16 16 TYR CA C 16 55.219 55.219 58.939 -3.720 25269
2686 1 15 . 1 1 16 16 TYR CB C 16 36.059 36.059 40.236 -4.177 25269
2687 1 15 . 1 1 16 16 TYR H H 16 7.604 7.604 8.321 -0.717 25269
2688 1 15 . 1 1 17 17 ASP N N 17 118.647 118.647 117.453 1.194 25269
2689 1 15 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.804 -0.200 25269
2690 1 15 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.435 -3.137 25269
2691 1 15 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.097 -7.025 25269
2692 1 15 . 1 1 17 17 ASP H H 17 7.919 7.919 7.812 0.107 25269
2693 1 15 . 1 1 18 18 SER N N 18 116.466 116.466 116.468 -0.002 25269
2694 1 15 . 1 1 18 18 SER HA H 18 4.272 4.272 4.502 -0.230 25269
2695 1 15 . 1 1 18 18 SER CA C 18 55.383 55.383 58.300 -2.917 25269
2696 1 15 . 1 1 18 18 SER CB C 18 67.330 67.330 61.792 5.538 25269
2697 1 15 . 1 1 18 18 SER H H 18 8.039 8.039 8.564 -0.525 25269
2698 1 15 . 1 1 19 19 GLY N N 19 111.185 111.185 110.062 1.123 25269
2699 1 15 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.094 -1.820 25269
2700 1 15 . 1 1 19 19 GLY H H 19 8.331 8.331 7.957 0.374 25269
2701 1 15 . 1 1 20 20 THR N N 20 116.439 116.439 113.988 2.451 25269
2702 1 15 . 1 1 20 20 THR HA H 20 4.110 4.110 4.426 -0.316 25269
2703 1 15 . 1 1 20 20 THR CA C 20 62.430 62.430 61.971 0.459 25269
2704 1 15 . 1 1 20 20 THR CB C 20 65.863 65.863 70.141 -4.278 25269
2705 1 15 . 1 1 20 20 THR H H 20 7.850 7.850 7.646 0.204 25269
2706 1 15 . 1 1 21 21 CYS N N 21 119.701 119.701 125.019 -5.318 25269
2707 1 15 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.620 -0.347 25269
2708 1 15 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.191 -2.827 25269
2709 1 15 . 1 1 21 21 CYS CB C 21 38.016 38.016 29.975 8.041 25269
2710 1 15 . 1 1 21 21 CYS H H 21 8.037 8.037 8.921 -0.884 25269
2711 1 15 . 1 1 22 22 ASP N N 22 119.085 119.085 118.933 0.152 25269
2712 1 15 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.577 -0.125 25269
2713 1 15 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.905 -0.978 25269
2714 1 15 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.875 -5.792 25269
2715 1 15 . 1 1 22 22 ASP H H 22 8.447 8.447 8.309 0.138 25269
2716 1 15 . 1 1 23 23 TYR N N 23 121.546 121.546 119.746 1.800 25269
2717 1 15 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.315 -0.190 25269
2718 1 15 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.348 -3.043 25269
2719 1 15 . 1 1 23 23 TYR CB C 23 35.723 35.723 38.306 -2.583 25269
2720 1 15 . 1 1 23 23 TYR H H 23 8.037 8.037 8.212 -0.175 25269
2721 1 15 . 1 1 24 24 MET N N 24 120.054 120.054 116.466 3.588 25269
2722 1 15 . 1 1 24 24 MET HA H 24 4.123 4.123 4.309 -0.186 25269
2723 1 15 . 1 1 24 24 MET CA C 24 56.163 56.163 57.629 -1.466 25269
2724 1 15 . 1 1 24 24 MET CB C 24 28.747 28.747 30.906 -2.159 25269
2725 1 15 . 1 1 24 24 MET H H 24 8.459 8.459 7.891 0.568 25269
2726 1 15 . 1 1 25 25 TYR N N 25 120.358 120.358 119.161 1.197 25269
2727 1 15 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.273 -0.149 25269
2728 1 15 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.699 -0.054 25269
2729 1 15 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.639 -2.129 25269
2730 1 15 . 1 1 25 25 TYR H H 25 8.909 8.909 7.524 1.385 25269
2731 1 15 . 1 1 26 26 SER N N 26 112.447 112.447 111.667 0.780 25269
2732 1 15 . 1 1 26 26 SER HA H 26 4.124 4.124 4.470 -0.346 25269
2733 1 15 . 1 1 26 26 SER CA C 26 58.949 58.949 58.578 0.372 25269
2734 1 15 . 1 1 26 26 SER CB C 26 60.889 60.889 63.621 -2.732 25269
2735 1 15 . 1 1 26 26 SER H H 26 8.039 8.039 7.502 0.537 25269
2736 1 15 . 1 1 27 27 HIS N N 27 116.202 116.202 116.803 -0.601 25269
2737 1 15 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.383 -0.159 25269
2738 1 15 . 1 1 27 27 HIS CA C 27 55.406 55.406 56.814 -1.408 25269
2739 1 15 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.949 -2.397 25269
2740 1 15 . 1 1 27 27 HIS H H 27 7.790 7.790 7.943 -0.153 25269
2741 1 15 . 1 1 28 28 CYS N N 28 115.699 115.699 116.438 -0.739 25269
2742 1 15 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.722 -0.497 25269
2743 1 15 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.757 -4.363 25269
2744 1 15 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.381 11.098 25269
2745 1 15 . 1 1 28 28 CYS H H 28 8.096 8.096 8.115 -0.019 25269
2746 1 15 . 1 1 29 29 PHE N N 29 115.898 115.898 119.026 -3.128 25269
2747 1 15 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.849 -0.251 25269
2748 1 15 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.803 -2.750 25269
2749 1 15 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.749 -3.280 25269
2750 1 15 . 1 1 29 29 PHE H H 29 7.682 7.682 7.842 -0.160 25269
2751 1 15 . 1 1 30 30 GLY N N 30 107.941 107.941 107.669 0.272 25269
2752 1 15 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.601 -3.707 25269
2753 1 15 . 1 1 30 30 GLY H H 30 7.577 7.577 8.808 -1.231 25269
2754 1 15 . 1 1 31 31 VAL N N 31 115.625 115.625 115.852 -0.227 25269
2755 1 15 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.261 -0.213 25269
2756 1 15 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.531 -3.536 25269
2757 1 15 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.163 -1.821 25269
2758 1 15 . 1 1 31 31 VAL H H 31 7.584 7.584 8.147 -0.563 25269
2759 1 15 . 1 1 32 32 LYS N N 32 123.707 123.707 121.513 2.194 25269
2760 1 15 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.931 0.265 25269
2761 1 15 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.633 -3.353 25269
2762 1 15 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.214 -1.825 25269
2763 1 15 . 1 1 32 32 LYS H H 32 8.002 8.002 7.770 0.232 25269
2764 1 15 . 1 1 33 33 HIS N N 33 119.228 119.228 120.000 -0.772 25269
2765 1 15 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.662 -0.044 25269
2766 1 15 . 1 1 33 33 HIS CA C 33 52.353 52.353 54.888 -2.535 25269
2767 1 15 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.780 -4.221 25269
2768 1 15 . 1 1 33 33 HIS H H 33 8.205 8.205 8.491 -0.286 25269
2769 1 15 . 1 1 34 34 SER N N 34 114.324 114.324 120.152 -5.828 25269
2770 1 15 . 1 1 34 34 SER HA H 34 4.329 4.329 4.388 -0.059 25269
2771 1 15 . 1 1 34 34 SER CA C 34 55.392 55.392 58.068 -2.676 25269
2772 1 15 . 1 1 34 34 SER CB C 34 61.072 61.072 63.668 -2.596 25269
2773 1 15 . 1 1 34 34 SER H H 34 7.814 7.814 8.450 -0.636 25269
2774 1 15 . 1 1 35 35 SER N N 35 117.133 117.133 120.180 -3.047 25269
2775 1 15 . 1 1 35 35 SER HA H 35 4.392 4.392 4.359 0.033 25269
2776 1 15 . 1 1 35 35 SER CA C 35 55.618 55.618 58.475 -2.857 25269
2777 1 15 . 1 1 35 35 SER CB C 35 61.247 61.247 62.493 -1.246 25269
2778 1 15 . 1 1 35 35 SER H H 35 8.185 8.185 8.496 -0.311 25269
2779 1 15 . 1 1 36 36 GLY N N 36 107.839 107.839 112.832 -4.993 25269
2780 1 15 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.119 -2.696 25269
2781 1 15 . 1 1 36 36 GLY H H 36 8.021 8.021 8.216 -0.195 25269
2782 1 15 . 1 1 37 37 GLY N N 37 109.587 109.587 109.140 0.447 25269
2783 1 15 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.884 -2.297 25269
2784 1 15 . 1 1 37 37 GLY H H 37 8.159 8.159 7.962 0.197 25269
2785 1 15 . 1 1 38 38 GLY N N 38 107.839 107.839 107.853 -0.014 25269
2786 1 15 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.370 -2.947 25269
2787 1 15 . 1 1 38 38 GLY H H 38 8.047 8.047 8.474 -0.427 25269
2788 1 15 . 1 1 39 39 GLY N N 39 107.993 107.993 106.638 1.355 25269
2789 1 15 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.323 -1.780 25269
2790 1 15 . 1 1 39 39 GLY H H 39 8.095 8.095 8.219 -0.124 25269
2791 1 15 . 1 1 40 40 SER N N 40 116.643 116.643 116.805 -0.162 25269
2792 1 15 . 1 1 40 40 SER HA H 40 4.394 4.394 4.729 -0.335 25269
2793 1 15 . 1 1 40 40 SER CA C 40 55.388 55.388 57.989 -2.601 25269
2794 1 15 . 1 1 40 40 SER CB C 40 61.227 61.227 64.081 -2.854 25269
2795 1 15 . 1 1 40 40 SER H H 40 8.079 8.079 8.462 -0.383 25269
2796 1 15 . 1 1 41 41 TYR N N 41 120.646 120.646 124.007 -3.361 25269
2797 1 15 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.449 0.002 25269
2798 1 15 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.482 -4.357 25269
2799 1 15 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.925 -1.912 25269
2800 1 15 . 1 1 41 41 TYR H H 41 7.854 7.854 9.044 -1.190 25269
2801 1 15 . 1 1 42 42 HIS N N 42 118.252 118.252 118.975 -0.723 25269
2802 1 15 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.040 0.567 25269
2803 1 15 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.954 -4.034 25269
2804 1 15 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.676 -2.568 25269
2805 1 15 . 1 1 42 42 HIS H H 42 7.806 7.806 7.932 -0.126 25269
2806 1 16 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.168 -0.033 25269
2807 1 16 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.945 -1.840 25269
2808 1 16 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.467 -2.414 25269
2809 1 16 . 1 1 3 3 ALA N N 3 124.626 124.626 119.026 5.600 25269
2810 1 16 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.095 0.077 25269
2811 1 16 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.965 -2.375 25269
2812 1 16 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.787 -2.877 25269
2813 1 16 . 1 1 3 3 ALA H H 3 8.259 8.259 8.284 -0.025 25269
2814 1 16 . 1 1 4 4 TRP N N 4 117.335 117.335 112.680 4.655 25269
2815 1 16 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.715 -0.446 25269
2816 1 16 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.342 4.752 25269
2817 1 16 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.891 -1.649 25269
2818 1 16 . 1 1 4 4 TRP H H 4 7.581 7.581 6.832 0.749 25269
2819 1 16 . 1 1 5 5 CYS N N 5 117.878 117.878 118.720 -0.842 25269
2820 1 16 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.805 -0.601 25269
2821 1 16 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.550 -3.437 25269
2822 1 16 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.167 6.205 25269
2823 1 16 . 1 1 5 5 CYS H H 5 7.880 7.880 7.102 0.778 25269
2824 1 16 . 1 1 6 6 TRP N N 6 120.116 120.116 121.629 -1.513 25269
2825 1 16 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.347 1.032 25269
2826 1 16 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.459 -3.413 25269
2827 1 16 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.593 -3.046 25269
2828 1 16 . 1 1 6 6 TRP H H 6 7.514 7.514 8.422 -0.908 25269
2829 1 16 . 1 1 7 7 TYR N N 7 117.617 117.617 114.856 2.761 25269
2830 1 16 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.137 0.069 25269
2831 1 16 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.238 -0.882 25269
2832 1 16 . 1 1 7 7 TYR CB C 7 35.592 35.592 37.204 -1.612 25269
2833 1 16 . 1 1 7 7 TYR H H 7 7.758 7.758 8.418 -0.659 25269
2834 1 16 . 1 1 8 8 THR N N 8 114.013 114.013 106.817 7.196 25269
2835 1 16 . 1 1 8 8 THR HA H 8 3.807 3.807 4.206 -0.399 25269
2836 1 16 . 1 1 8 8 THR CA C 8 63.506 63.506 63.432 0.074 25269
2837 1 16 . 1 1 8 8 THR CB C 8 65.965 65.965 67.315 -1.350 25269
2838 1 16 . 1 1 8 8 THR H H 8 7.843 7.843 8.455 -0.612 25269
2839 1 16 . 1 1 9 9 LEU N N 9 121.631 121.631 121.643 -0.012 25269
2840 1 16 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.311 -0.371 25269
2841 1 16 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.354 -0.963 25269
2842 1 16 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.510 -3.835 25269
2843 1 16 . 1 1 9 9 LEU H H 9 7.750 7.750 7.923 -0.173 25269
2844 1 16 . 1 1 10 10 ALA N N 10 120.229 120.229 119.305 0.924 25269
2845 1 16 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.930 0.075 25269
2846 1 16 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.775 -1.141 25269
2847 1 16 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.291 -1.733 25269
2848 1 16 . 1 1 10 10 ALA H H 10 7.592 7.592 8.064 -0.472 25269
2849 1 16 . 1 1 11 11 MET N N 11 114.827 114.827 113.851 0.976 25269
2850 1 16 . 1 1 11 11 MET HA H 11 3.800 3.800 4.410 -0.610 25269
2851 1 16 . 1 1 11 11 MET CA C 11 55.416 55.416 56.581 -1.165 25269
2852 1 16 . 1 1 11 11 MET CB C 11 30.203 30.203 32.790 -2.587 25269
2853 1 16 . 1 1 11 11 MET H H 11 7.788 7.788 8.027 -0.239 25269
2854 1 16 . 1 1 12 12 CYS N N 12 117.096 117.096 119.783 -2.687 25269
2855 1 16 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.439 0.122 25269
2856 1 16 . 1 1 12 12 CYS CA C 12 55.551 55.551 61.038 -5.487 25269
2857 1 16 . 1 1 12 12 CYS CB C 12 39.733 39.733 27.100 12.633 25269
2858 1 16 . 1 1 12 12 CYS H H 12 8.155 8.155 7.970 0.185 25269
2859 1 16 . 1 1 13 13 GLY N N 13 108.467 108.467 111.563 -3.096 25269
2860 1 16 . 1 1 13 13 GLY CA C 13 43.469 43.469 45.998 -2.529 25269
2861 1 16 . 1 1 13 13 GLY H H 13 8.112 8.112 8.886 -0.774 25269
2862 1 16 . 1 1 14 14 ALA N N 14 121.448 121.448 121.278 0.170 25269
2863 1 16 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.511 -0.211 25269
2864 1 16 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.528 -2.065 25269
2865 1 16 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.499 -3.152 25269
2866 1 16 . 1 1 14 14 ALA H H 14 7.662 7.662 7.732 -0.070 25269
2867 1 16 . 1 1 15 15 GLY N N 15 104.928 104.928 107.818 -2.890 25269
2868 1 16 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.675 -3.943 25269
2869 1 16 . 1 1 15 15 GLY H H 15 7.695 7.695 8.338 -0.643 25269
2870 1 16 . 1 1 16 16 TYR N N 16 118.658 118.658 119.040 -0.382 25269
2871 1 16 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.486 -0.021 25269
2872 1 16 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.293 -4.074 25269
2873 1 16 . 1 1 16 16 TYR CB C 16 36.059 36.059 40.003 -3.944 25269
2874 1 16 . 1 1 16 16 TYR H H 16 7.604 7.604 8.296 -0.692 25269
2875 1 16 . 1 1 17 17 ASP N N 17 118.647 118.647 117.316 1.331 25269
2876 1 16 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.806 -0.202 25269
2877 1 16 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.331 -3.033 25269
2878 1 16 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.044 -6.973 25269
2879 1 16 . 1 1 17 17 ASP H H 17 7.919 7.919 7.835 0.084 25269
2880 1 16 . 1 1 18 18 SER N N 18 116.466 116.466 116.352 0.114 25269
2881 1 16 . 1 1 18 18 SER HA H 18 4.272 4.272 4.494 -0.222 25269
2882 1 16 . 1 1 18 18 SER CA C 18 55.383 55.383 58.268 -2.885 25269
2883 1 16 . 1 1 18 18 SER CB C 18 67.330 67.330 61.852 5.478 25269
2884 1 16 . 1 1 18 18 SER H H 18 8.039 8.039 8.540 -0.501 25269
2885 1 16 . 1 1 19 19 GLY N N 19 111.185 111.185 110.276 0.909 25269
2886 1 16 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.078 -1.804 25269
2887 1 16 . 1 1 19 19 GLY H H 19 8.331 8.331 7.909 0.422 25269
2888 1 16 . 1 1 20 20 THR N N 20 116.439 116.439 113.958 2.481 25269
2889 1 16 . 1 1 20 20 THR HA H 20 4.110 4.110 4.462 -0.352 25269
2890 1 16 . 1 1 20 20 THR CA C 20 62.430 62.430 62.576 -0.146 25269
2891 1 16 . 1 1 20 20 THR CB C 20 65.863 65.863 70.505 -4.642 25269
2892 1 16 . 1 1 20 20 THR H H 20 7.850 7.850 7.651 0.199 25269
2893 1 16 . 1 1 21 21 CYS N N 21 119.701 119.701 124.669 -4.968 25269
2894 1 16 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.631 -0.358 25269
2895 1 16 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.967 -2.603 25269
2896 1 16 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.428 7.588 25269
2897 1 16 . 1 1 21 21 CYS H H 21 8.037 8.037 8.837 -0.800 25269
2898 1 16 . 1 1 22 22 ASP N N 22 119.085 119.085 118.956 0.129 25269
2899 1 16 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.550 -0.098 25269
2900 1 16 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.882 -0.955 25269
2901 1 16 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.889 -5.806 25269
2902 1 16 . 1 1 22 22 ASP H H 22 8.447 8.447 8.288 0.159 25269
2903 1 16 . 1 1 23 23 TYR N N 23 121.546 121.546 119.826 1.720 25269
2904 1 16 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.305 -0.180 25269
2905 1 16 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.325 -3.020 25269
2906 1 16 . 1 1 23 23 TYR CB C 23 35.723 35.723 38.258 -2.535 25269
2907 1 16 . 1 1 23 23 TYR H H 23 8.037 8.037 8.180 -0.143 25269
2908 1 16 . 1 1 24 24 MET N N 24 120.054 120.054 116.461 3.593 25269
2909 1 16 . 1 1 24 24 MET HA H 24 4.123 4.123 4.316 -0.193 25269
2910 1 16 . 1 1 24 24 MET CA C 24 56.163 56.163 57.620 -1.457 25269
2911 1 16 . 1 1 24 24 MET CB C 24 28.747 28.747 30.889 -2.142 25269
2912 1 16 . 1 1 24 24 MET H H 24 8.459 8.459 7.885 0.574 25269
2913 1 16 . 1 1 25 25 TYR N N 25 120.358 120.358 117.949 2.409 25269
2914 1 16 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.243 -0.119 25269
2915 1 16 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.089 -0.444 25269
2916 1 16 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.871 -2.361 25269
2917 1 16 . 1 1 25 25 TYR H H 25 8.909 8.909 7.417 1.492 25269
2918 1 16 . 1 1 26 26 SER N N 26 112.447 112.447 112.752 -0.305 25269
2919 1 16 . 1 1 26 26 SER HA H 26 4.124 4.124 4.505 -0.381 25269
2920 1 16 . 1 1 26 26 SER CA C 26 58.949 58.949 58.043 0.906 25269
2921 1 16 . 1 1 26 26 SER CB C 26 60.889 60.889 62.813 -1.924 25269
2922 1 16 . 1 1 26 26 SER H H 26 8.039 8.039 7.441 0.598 25269
2923 1 16 . 1 1 27 27 HIS N N 27 116.202 116.202 115.553 0.649 25269
2924 1 16 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.367 -0.143 25269
2925 1 16 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.338 -1.932 25269
2926 1 16 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.020 -1.468 25269
2927 1 16 . 1 1 27 27 HIS H H 27 7.790 7.790 7.837 -0.047 25269
2928 1 16 . 1 1 28 28 CYS N N 28 115.699 115.699 116.462 -0.763 25269
2929 1 16 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.826 -0.601 25269
2930 1 16 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.653 -4.259 25269
2931 1 16 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.730 10.749 25269
2932 1 16 . 1 1 28 28 CYS H H 28 8.096 8.096 8.104 -0.008 25269
2933 1 16 . 1 1 29 29 PHE N N 29 115.898 115.898 119.143 -3.245 25269
2934 1 16 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.930 -0.332 25269
2935 1 16 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.821 -2.768 25269
2936 1 16 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.839 -3.369 25269
2937 1 16 . 1 1 29 29 PHE H H 29 7.682 7.682 7.828 -0.146 25269
2938 1 16 . 1 1 30 30 GLY N N 30 107.941 107.941 107.920 0.021 25269
2939 1 16 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.162 -3.268 25269
2940 1 16 . 1 1 30 30 GLY H H 30 7.577 7.577 8.846 -1.269 25269
2941 1 16 . 1 1 31 31 VAL N N 31 115.625 115.625 111.254 4.371 25269
2942 1 16 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.243 -0.195 25269
2943 1 16 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.127 -3.132 25269
2944 1 16 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.547 -2.204 25269
2945 1 16 . 1 1 31 31 VAL H H 31 7.584 7.584 7.777 -0.193 25269
2946 1 16 . 1 1 32 32 LYS N N 32 123.707 123.707 119.596 4.111 25269
2947 1 16 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.823 0.373 25269
2948 1 16 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.335 -3.055 25269
2949 1 16 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.298 -1.909 25269
2950 1 16 . 1 1 32 32 LYS H H 32 8.002 8.002 7.587 0.415 25269
2951 1 16 . 1 1 33 33 HIS N N 33 119.228 119.228 119.025 0.203 25269
2952 1 16 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.771 -0.153 25269
2953 1 16 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.929 -3.576 25269
2954 1 16 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.805 -4.246 25269
2955 1 16 . 1 1 33 33 HIS H H 33 8.205 8.205 8.558 -0.353 25269
2956 1 16 . 1 1 34 34 SER N N 34 114.324 114.324 121.079 -6.755 25269
2957 1 16 . 1 1 34 34 SER HA H 34 4.329 4.329 4.257 0.072 25269
2958 1 16 . 1 1 34 34 SER CA C 34 55.392 55.392 61.066 -5.674 25269
2959 1 16 . 1 1 34 34 SER CB C 34 61.072 61.072 63.291 -2.219 25269
2960 1 16 . 1 1 34 34 SER H H 34 7.814 7.814 9.034 -1.220 25269
2961 1 16 . 1 1 35 35 SER N N 35 117.133 117.133 116.442 0.691 25269
2962 1 16 . 1 1 35 35 SER HA H 35 4.392 4.392 4.376 0.016 25269
2963 1 16 . 1 1 35 35 SER CA C 35 55.618 55.618 59.897 -4.279 25269
2964 1 16 . 1 1 35 35 SER CB C 35 61.247 61.247 63.323 -2.076 25269
2965 1 16 . 1 1 35 35 SER H H 35 8.185 8.185 8.267 -0.082 25269
2966 1 16 . 1 1 36 36 GLY N N 36 107.839 107.839 108.821 -0.982 25269
2967 1 16 . 1 1 36 36 GLY CA C 36 42.423 42.423 46.142 -3.719 25269
2968 1 16 . 1 1 36 36 GLY H H 36 8.021 8.021 8.662 -0.641 25269
2969 1 16 . 1 1 37 37 GLY N N 37 109.587 109.587 109.562 0.025 25269
2970 1 16 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.024 -2.437 25269
2971 1 16 . 1 1 37 37 GLY H H 37 8.159 8.159 8.137 0.022 25269
2972 1 16 . 1 1 38 38 GLY N N 38 107.839 107.839 109.494 -1.655 25269
2973 1 16 . 1 1 38 38 GLY CA C 38 42.423 42.423 46.142 -3.719 25269
2974 1 16 . 1 1 38 38 GLY H H 38 8.047 8.047 8.183 -0.136 25269
2975 1 16 . 1 1 39 39 GLY N N 39 107.993 107.993 108.487 -0.494 25269
2976 1 16 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.531 -1.988 25269
2977 1 16 . 1 1 39 39 GLY H H 39 8.095 8.095 7.985 0.110 25269
2978 1 16 . 1 1 40 40 SER N N 40 116.643 116.643 117.402 -0.759 25269
2979 1 16 . 1 1 40 40 SER HA H 40 4.394 4.394 4.703 -0.309 25269
2980 1 16 . 1 1 40 40 SER CA C 40 55.388 55.388 58.410 -3.022 25269
2981 1 16 . 1 1 40 40 SER CB C 40 61.227 61.227 63.218 -1.991 25269
2982 1 16 . 1 1 40 40 SER H H 40 8.079 8.079 8.678 -0.599 25269
2983 1 16 . 1 1 41 41 TYR N N 41 120.646 120.646 122.246 -1.600 25269
2984 1 16 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.338 0.113 25269
2985 1 16 . 1 1 41 41 TYR CA C 41 55.125 55.125 57.924 -2.799 25269
2986 1 16 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.321 -1.308 25269
2987 1 16 . 1 1 41 41 TYR H H 41 7.854 7.854 8.419 -0.565 25269
2988 1 16 . 1 1 42 42 HIS N N 42 118.252 118.252 118.979 -0.727 25269
2989 1 16 . 1 1 42 42 HIS HA H 42 4.607 4.607 3.813 0.794 25269
2990 1 16 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.843 -4.923 25269
2991 1 16 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.662 -2.554 25269
2992 1 16 . 1 1 42 42 HIS H H 42 7.806 7.806 8.238 -0.432 25269
2993 1 17 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.165 -0.030 25269
2994 1 17 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.949 -1.844 25269
2995 1 17 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.518 -2.465 25269
2996 1 17 . 1 1 3 3 ALA N N 3 124.626 124.626 119.338 5.288 25269
2997 1 17 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.082 0.090 25269
2998 1 17 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.227 -2.637 25269
2999 1 17 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.811 -2.901 25269
3000 1 17 . 1 1 3 3 ALA H H 3 8.259 8.259 8.319 -0.060 25269
3001 1 17 . 1 1 4 4 TRP N N 4 117.335 117.335 112.631 4.704 25269
3002 1 17 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.652 -0.383 25269
3003 1 17 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.375 4.719 25269
3004 1 17 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.824 -1.582 25269
3005 1 17 . 1 1 4 4 TRP H H 4 7.581 7.581 6.816 0.765 25269
3006 1 17 . 1 1 5 5 CYS N N 5 117.878 117.878 118.703 -0.825 25269
3007 1 17 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.814 -0.610 25269
3008 1 17 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.493 -3.380 25269
3009 1 17 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.062 6.310 25269
3010 1 17 . 1 1 5 5 CYS H H 5 7.880 7.880 7.191 0.689 25269
3011 1 17 . 1 1 6 6 TRP N N 6 120.116 120.116 121.716 -1.600 25269
3012 1 17 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.332 1.047 25269
3013 1 17 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.456 -3.410 25269
3014 1 17 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.586 -3.038 25269
3015 1 17 . 1 1 6 6 TRP H H 6 7.514 7.514 8.438 -0.924 25269
3016 1 17 . 1 1 7 7 TYR N N 7 117.617 117.617 115.816 1.801 25269
3017 1 17 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.131 0.075 25269
3018 1 17 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.482 -1.126 25269
3019 1 17 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.756 -1.164 25269
3020 1 17 . 1 1 7 7 TYR H H 7 7.758 7.758 8.383 -0.625 25269
3021 1 17 . 1 1 8 8 THR N N 8 114.013 114.013 106.170 7.843 25269
3022 1 17 . 1 1 8 8 THR HA H 8 3.807 3.807 4.204 -0.397 25269
3023 1 17 . 1 1 8 8 THR CA C 8 63.506 63.506 62.844 0.662 25269
3024 1 17 . 1 1 8 8 THR CB C 8 65.965 65.965 67.604 -1.639 25269
3025 1 17 . 1 1 8 8 THR H H 8 7.843 7.843 8.380 -0.537 25269
3026 1 17 . 1 1 9 9 LEU N N 9 121.631 121.631 121.268 0.363 25269
3027 1 17 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.260 -0.320 25269
3028 1 17 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.369 -0.978 25269
3029 1 17 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.696 -4.021 25269
3030 1 17 . 1 1 9 9 LEU H H 9 7.750 7.750 7.865 -0.115 25269
3031 1 17 . 1 1 10 10 ALA N N 10 120.229 120.229 119.385 0.844 25269
3032 1 17 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.920 0.085 25269
3033 1 17 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.774 -1.140 25269
3034 1 17 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.226 -1.668 25269
3035 1 17 . 1 1 10 10 ALA H H 10 7.592 7.592 8.059 -0.467 25269
3036 1 17 . 1 1 11 11 MET N N 11 114.827 114.827 113.710 1.117 25269
3037 1 17 . 1 1 11 11 MET HA H 11 3.800 3.800 4.320 -0.520 25269
3038 1 17 . 1 1 11 11 MET CA C 11 55.416 55.416 56.984 -1.568 25269
3039 1 17 . 1 1 11 11 MET CB C 11 30.203 30.203 32.443 -2.240 25269
3040 1 17 . 1 1 11 11 MET H H 11 7.788 7.788 7.957 -0.169 25269
3041 1 17 . 1 1 12 12 CYS N N 12 117.096 117.096 119.889 -2.793 25269
3042 1 17 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.353 0.208 25269
3043 1 17 . 1 1 12 12 CYS CA C 12 55.551 55.551 61.386 -5.835 25269
3044 1 17 . 1 1 12 12 CYS CB C 12 39.733 39.733 27.003 12.729 25269
3045 1 17 . 1 1 12 12 CYS H H 12 8.155 8.155 7.948 0.207 25269
3046 1 17 . 1 1 13 13 GLY N N 13 108.467 108.467 111.494 -3.027 25269
3047 1 17 . 1 1 13 13 GLY CA C 13 43.469 43.469 45.980 -2.511 25269
3048 1 17 . 1 1 13 13 GLY H H 13 8.112 8.112 8.839 -0.727 25269
3049 1 17 . 1 1 14 14 ALA N N 14 121.448 121.448 121.278 0.170 25269
3050 1 17 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.480 -0.180 25269
3051 1 17 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.759 -2.296 25269
3052 1 17 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.515 -3.168 25269
3053 1 17 . 1 1 14 14 ALA H H 14 7.662 7.662 7.739 -0.077 25269
3054 1 17 . 1 1 15 15 GLY N N 15 104.928 104.928 107.777 -2.849 25269
3055 1 17 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.638 -3.907 25269
3056 1 17 . 1 1 15 15 GLY H H 15 7.695 7.695 8.350 -0.655 25269
3057 1 17 . 1 1 16 16 TYR N N 16 118.658 118.658 118.813 -0.155 25269
3058 1 17 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.533 -0.068 25269
3059 1 17 . 1 1 16 16 TYR CA C 16 55.219 55.219 58.963 -3.744 25269
3060 1 17 . 1 1 16 16 TYR CB C 16 36.059 36.059 40.223 -4.164 25269
3061 1 17 . 1 1 16 16 TYR H H 16 7.604 7.604 8.323 -0.719 25269
3062 1 17 . 1 1 17 17 ASP N N 17 118.647 118.647 117.441 1.206 25269
3063 1 17 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.800 -0.196 25269
3064 1 17 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.389 -3.091 25269
3065 1 17 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.016 -6.944 25269
3066 1 17 . 1 1 17 17 ASP H H 17 7.919 7.919 7.804 0.115 25269
3067 1 17 . 1 1 18 18 SER N N 18 116.466 116.466 116.395 0.071 25269
3068 1 17 . 1 1 18 18 SER HA H 18 4.272 4.272 4.497 -0.225 25269
3069 1 17 . 1 1 18 18 SER CA C 18 55.383 55.383 58.267 -2.884 25269
3070 1 17 . 1 1 18 18 SER CB C 18 67.330 67.330 61.851 5.479 25269
3071 1 17 . 1 1 18 18 SER H H 18 8.039 8.039 8.546 -0.507 25269
3072 1 17 . 1 1 19 19 GLY N N 19 111.185 111.185 110.235 0.950 25269
3073 1 17 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.060 -1.786 25269
3074 1 17 . 1 1 19 19 GLY H H 19 8.331 8.331 7.885 0.446 25269
3075 1 17 . 1 1 20 20 THR N N 20 116.439 116.439 113.989 2.450 25269
3076 1 17 . 1 1 20 20 THR HA H 20 4.110 4.110 4.458 -0.348 25269
3077 1 17 . 1 1 20 20 THR CA C 20 62.430 62.430 62.551 -0.121 25269
3078 1 17 . 1 1 20 20 THR CB C 20 65.863 65.863 70.494 -4.631 25269
3079 1 17 . 1 1 20 20 THR H H 20 7.850 7.850 7.627 0.223 25269
3080 1 17 . 1 1 21 21 CYS N N 21 119.701 119.701 124.763 -5.062 25269
3081 1 17 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.640 -0.367 25269
3082 1 17 . 1 1 21 21 CYS CA C 21 55.364 55.364 57.997 -2.633 25269
3083 1 17 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.307 7.709 25269
3084 1 17 . 1 1 21 21 CYS H H 21 8.037 8.037 8.864 -0.827 25269
3085 1 17 . 1 1 22 22 ASP N N 22 119.085 119.085 118.948 0.137 25269
3086 1 17 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.576 -0.124 25269
3087 1 17 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.919 -0.992 25269
3088 1 17 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.940 -5.857 25269
3089 1 17 . 1 1 22 22 ASP H H 22 8.447 8.447 8.302 0.145 25269
3090 1 17 . 1 1 23 23 TYR N N 23 121.546 121.546 119.817 1.729 25269
3091 1 17 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.313 -0.188 25269
3092 1 17 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.393 -3.088 25269
3093 1 17 . 1 1 23 23 TYR CB C 23 35.723 35.723 38.309 -2.586 25269
3094 1 17 . 1 1 23 23 TYR H H 23 8.037 8.037 8.247 -0.210 25269
3095 1 17 . 1 1 24 24 MET N N 24 120.054 120.054 116.049 4.005 25269
3096 1 17 . 1 1 24 24 MET HA H 24 4.123 4.123 4.323 -0.200 25269
3097 1 17 . 1 1 24 24 MET CA C 24 56.163 56.163 57.457 -1.294 25269
3098 1 17 . 1 1 24 24 MET CB C 24 28.747 28.747 30.689 -1.942 25269
3099 1 17 . 1 1 24 24 MET H H 24 8.459 8.459 7.892 0.567 25269
3100 1 17 . 1 1 25 25 TYR N N 25 120.358 120.358 120.843 -0.485 25269
3101 1 17 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.353 -0.229 25269
3102 1 17 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.387 0.258 25269
3103 1 17 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.735 -2.225 25269
3104 1 17 . 1 1 25 25 TYR H H 25 8.909 8.909 7.664 1.245 25269
3105 1 17 . 1 1 26 26 SER N N 26 112.447 112.447 113.734 -1.287 25269
3106 1 17 . 1 1 26 26 SER HA H 26 4.124 4.124 4.496 -0.372 25269
3107 1 17 . 1 1 26 26 SER CA C 26 58.949 58.949 58.295 0.654 25269
3108 1 17 . 1 1 26 26 SER CB C 26 60.889 60.889 63.826 -2.937 25269
3109 1 17 . 1 1 26 26 SER H H 26 8.039 8.039 7.520 0.519 25269
3110 1 17 . 1 1 27 27 HIS N N 27 116.202 116.202 116.873 -0.671 25269
3111 1 17 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.393 -0.169 25269
3112 1 17 . 1 1 27 27 HIS CA C 27 55.406 55.406 56.756 -1.350 25269
3113 1 17 . 1 1 27 27 HIS CB C 27 25.552 25.552 28.054 -2.502 25269
3114 1 17 . 1 1 27 27 HIS H H 27 7.790 7.790 7.946 -0.156 25269
3115 1 17 . 1 1 28 28 CYS N N 28 115.699 115.699 116.399 -0.700 25269
3116 1 17 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.732 -0.507 25269
3117 1 17 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.772 -4.378 25269
3118 1 17 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.362 11.117 25269
3119 1 17 . 1 1 28 28 CYS H H 28 8.096 8.096 8.158 -0.062 25269
3120 1 17 . 1 1 29 29 PHE N N 29 115.898 115.898 118.999 -3.101 25269
3121 1 17 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.956 -0.358 25269
3122 1 17 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.659 -2.606 25269
3123 1 17 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.767 -3.297 25269
3124 1 17 . 1 1 29 29 PHE H H 29 7.682 7.682 7.853 -0.171 25269
3125 1 17 . 1 1 30 30 GLY N N 30 107.941 107.941 107.965 -0.024 25269
3126 1 17 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.797 -3.903 25269
3127 1 17 . 1 1 30 30 GLY H H 30 7.577 7.577 8.863 -1.286 25269
3128 1 17 . 1 1 31 31 VAL N N 31 115.625 115.625 114.916 0.709 25269
3129 1 17 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.273 -0.225 25269
3130 1 17 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.877 -3.882 25269
3131 1 17 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.269 -1.926 25269
3132 1 17 . 1 1 31 31 VAL H H 31 7.584 7.584 8.234 -0.650 25269
3133 1 17 . 1 1 32 32 LYS N N 32 123.707 123.707 120.688 3.019 25269
3134 1 17 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.969 0.227 25269
3135 1 17 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.828 -3.548 25269
3136 1 17 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.588 -2.199 25269
3137 1 17 . 1 1 32 32 LYS H H 32 8.002 8.002 7.982 0.020 25269
3138 1 17 . 1 1 33 33 HIS N N 33 119.228 119.228 118.542 0.686 25269
3139 1 17 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.568 0.050 25269
3140 1 17 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.839 -3.486 25269
3141 1 17 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.888 -5.329 25269
3142 1 17 . 1 1 33 33 HIS H H 33 8.205 8.205 8.147 0.058 25269
3143 1 17 . 1 1 34 34 SER N N 34 114.324 114.324 115.899 -1.575 25269
3144 1 17 . 1 1 34 34 SER HA H 34 4.329 4.329 4.039 0.290 25269
3145 1 17 . 1 1 34 34 SER CA C 34 55.392 55.392 59.259 -3.867 25269
3146 1 17 . 1 1 34 34 SER CB C 34 61.072 61.072 62.821 -1.749 25269
3147 1 17 . 1 1 34 34 SER H H 34 7.814 7.814 7.940 -0.126 25269
3148 1 17 . 1 1 35 35 SER N N 35 117.133 117.133 115.706 1.427 25269
3149 1 17 . 1 1 35 35 SER HA H 35 4.392 4.392 4.437 -0.045 25269
3150 1 17 . 1 1 35 35 SER CA C 35 55.618 55.618 59.553 -3.935 25269
3151 1 17 . 1 1 35 35 SER CB C 35 61.247 61.247 63.476 -2.229 25269
3152 1 17 . 1 1 35 35 SER H H 35 8.185 8.185 8.323 -0.138 25269
3153 1 17 . 1 1 36 36 GLY N N 36 107.839 107.839 109.355 -1.516 25269
3154 1 17 . 1 1 36 36 GLY CA C 36 42.423 42.423 44.509 -2.086 25269
3155 1 17 . 1 1 36 36 GLY H H 36 8.021 8.021 7.758 0.263 25269
3156 1 17 . 1 1 37 37 GLY N N 37 109.587 109.587 108.363 1.224 25269
3157 1 17 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.551 -1.964 25269
3158 1 17 . 1 1 37 37 GLY H H 37 8.159 8.159 8.231 -0.072 25269
3159 1 17 . 1 1 38 38 GLY N N 38 107.839 107.839 107.020 0.819 25269
3160 1 17 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.450 -2.027 25269
3161 1 17 . 1 1 38 38 GLY H H 38 8.047 8.047 8.388 -0.341 25269
3162 1 17 . 1 1 39 39 GLY N N 39 107.993 107.993 106.906 1.087 25269
3163 1 17 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.377 -2.834 25269
3164 1 17 . 1 1 39 39 GLY H H 39 8.095 8.095 8.201 -0.106 25269
3165 1 17 . 1 1 40 40 SER N N 40 116.643 116.643 116.233 0.410 25269
3166 1 17 . 1 1 40 40 SER HA H 40 4.394 4.394 4.767 -0.373 25269
3167 1 17 . 1 1 40 40 SER CA C 40 55.388 55.388 57.160 -1.772 25269
3168 1 17 . 1 1 40 40 SER CB C 40 61.227 61.227 63.872 -2.645 25269
3169 1 17 . 1 1 40 40 SER H H 40 8.079 8.079 8.510 -0.431 25269
3170 1 17 . 1 1 41 41 TYR N N 41 120.646 120.646 126.717 -6.071 25269
3171 1 17 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.656 -0.205 25269
3172 1 17 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.907 -3.782 25269
3173 1 17 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.299 -2.286 25269
3174 1 17 . 1 1 41 41 TYR H H 41 7.854 7.854 9.047 -1.193 25269
3175 1 17 . 1 1 42 42 HIS N N 42 118.252 118.252 118.461 -0.209 25269
3176 1 17 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.449 0.158 25269
3177 1 17 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.579 -3.659 25269
3178 1 17 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.130 -2.022 25269
3179 1 17 . 1 1 42 42 HIS H H 42 7.806 7.806 7.934 -0.128 25269
3180 1 18 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.165 -0.030 25269
3181 1 18 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.923 -1.818 25269
3182 1 18 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.504 -2.451 25269
3183 1 18 . 1 1 3 3 ALA N N 3 124.626 124.626 119.185 5.441 25269
3184 1 18 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.146 0.026 25269
3185 1 18 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.158 -2.568 25269
3186 1 18 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.809 -2.900 25269
3187 1 18 . 1 1 3 3 ALA H H 3 8.259 8.259 8.311 -0.052 25269
3188 1 18 . 1 1 4 4 TRP N N 4 117.335 117.335 112.666 4.669 25269
3189 1 18 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.702 -0.433 25269
3190 1 18 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.391 4.703 25269
3191 1 18 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.869 -1.627 25269
3192 1 18 . 1 1 4 4 TRP H H 4 7.581 7.581 6.816 0.765 25269
3193 1 18 . 1 1 5 5 CYS N N 5 117.878 117.878 118.668 -0.790 25269
3194 1 18 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.781 -0.577 25269
3195 1 18 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.559 -3.446 25269
3196 1 18 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.161 6.211 25269
3197 1 18 . 1 1 5 5 CYS H H 5 7.880 7.880 7.105 0.775 25269
3198 1 18 . 1 1 6 6 TRP N N 6 120.116 120.116 121.668 -1.552 25269
3199 1 18 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.335 1.044 25269
3200 1 18 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.459 -3.413 25269
3201 1 18 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.554 -3.006 25269
3202 1 18 . 1 1 6 6 TRP H H 6 7.514 7.514 8.369 -0.855 25269
3203 1 18 . 1 1 7 7 TYR N N 7 117.617 117.617 115.726 1.891 25269
3204 1 18 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.123 0.083 25269
3205 1 18 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.457 -1.101 25269
3206 1 18 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.750 -1.158 25269
3207 1 18 . 1 1 7 7 TYR H H 7 7.758 7.758 8.383 -0.625 25269
3208 1 18 . 1 1 8 8 THR N N 8 114.013 114.013 106.254 7.759 25269
3209 1 18 . 1 1 8 8 THR HA H 8 3.807 3.807 4.180 -0.373 25269
3210 1 18 . 1 1 8 8 THR CA C 8 63.506 63.506 62.872 0.634 25269
3211 1 18 . 1 1 8 8 THR CB C 8 65.965 65.965 67.605 -1.640 25269
3212 1 18 . 1 1 8 8 THR H H 8 7.843 7.843 8.372 -0.529 25269
3213 1 18 . 1 1 9 9 LEU N N 9 121.631 121.631 121.386 0.245 25269
3214 1 18 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.242 -0.302 25269
3215 1 18 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.527 -1.136 25269
3216 1 18 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.661 -3.986 25269
3217 1 18 . 1 1 9 9 LEU H H 9 7.750 7.750 7.912 -0.162 25269
3218 1 18 . 1 1 10 10 ALA N N 10 120.229 120.229 119.273 0.956 25269
3219 1 18 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.919 0.086 25269
3220 1 18 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.775 -1.141 25269
3221 1 18 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.255 -1.697 25269
3222 1 18 . 1 1 10 10 ALA H H 10 7.592 7.592 8.056 -0.464 25269
3223 1 18 . 1 1 11 11 MET N N 11 114.827 114.827 113.825 1.002 25269
3224 1 18 . 1 1 11 11 MET HA H 11 3.800 3.800 4.370 -0.570 25269
3225 1 18 . 1 1 11 11 MET CA C 11 55.416 55.416 56.743 -1.327 25269
3226 1 18 . 1 1 11 11 MET CB C 11 30.203 30.203 32.677 -2.474 25269
3227 1 18 . 1 1 11 11 MET H H 11 7.788 7.788 8.011 -0.223 25269
3228 1 18 . 1 1 12 12 CYS N N 12 117.096 117.096 119.763 -2.667 25269
3229 1 18 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.423 0.139 25269
3230 1 18 . 1 1 12 12 CYS CA C 12 55.551 55.551 61.132 -5.581 25269
3231 1 18 . 1 1 12 12 CYS CB C 12 39.733 39.733 27.124 12.609 25269
3232 1 18 . 1 1 12 12 CYS H H 12 8.155 8.155 7.989 0.166 25269
3233 1 18 . 1 1 13 13 GLY N N 13 108.467 108.467 111.476 -3.009 25269
3234 1 18 . 1 1 13 13 GLY CA C 13 43.469 43.469 45.985 -2.516 25269
3235 1 18 . 1 1 13 13 GLY H H 13 8.112 8.112 8.871 -0.759 25269
3236 1 18 . 1 1 14 14 ALA N N 14 121.448 121.448 121.318 0.130 25269
3237 1 18 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.485 -0.185 25269
3238 1 18 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.642 -2.179 25269
3239 1 18 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.507 -3.160 25269
3240 1 18 . 1 1 14 14 ALA H H 14 7.662 7.662 7.763 -0.101 25269
3241 1 18 . 1 1 15 15 GLY N N 15 104.928 104.928 107.734 -2.806 25269
3242 1 18 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.616 -3.885 25269
3243 1 18 . 1 1 15 15 GLY H H 15 7.695 7.695 8.337 -0.642 25269
3244 1 18 . 1 1 16 16 TYR N N 16 118.658 118.658 118.861 -0.203 25269
3245 1 18 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.526 -0.061 25269
3246 1 18 . 1 1 16 16 TYR CA C 16 55.219 55.219 58.964 -3.745 25269
3247 1 18 . 1 1 16 16 TYR CB C 16 36.059 36.059 40.175 -4.115 25269
3248 1 18 . 1 1 16 16 TYR H H 16 7.604 7.604 8.297 -0.693 25269
3249 1 18 . 1 1 17 17 ASP N N 17 118.647 118.647 117.445 1.202 25269
3250 1 18 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.820 -0.216 25269
3251 1 18 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.405 -3.107 25269
3252 1 18 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.154 -7.082 25269
3253 1 18 . 1 1 17 17 ASP H H 17 7.919 7.919 7.843 0.076 25269
3254 1 18 . 1 1 18 18 SER N N 18 116.466 116.466 116.522 -0.056 25269
3255 1 18 . 1 1 18 18 SER HA H 18 4.272 4.272 4.493 -0.221 25269
3256 1 18 . 1 1 18 18 SER CA C 18 55.383 55.383 58.307 -2.924 25269
3257 1 18 . 1 1 18 18 SER CB C 18 67.330 67.330 61.734 5.596 25269
3258 1 18 . 1 1 18 18 SER H H 18 8.039 8.039 8.564 -0.525 25269
3259 1 18 . 1 1 19 19 GLY N N 19 111.185 111.185 110.080 1.105 25269
3260 1 18 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.076 -1.802 25269
3261 1 18 . 1 1 19 19 GLY H H 19 8.331 8.331 7.976 0.355 25269
3262 1 18 . 1 1 20 20 THR N N 20 116.439 116.439 114.090 2.349 25269
3263 1 18 . 1 1 20 20 THR HA H 20 4.110 4.110 4.423 -0.313 25269
3264 1 18 . 1 1 20 20 THR CA C 20 62.430 62.430 62.023 0.407 25269
3265 1 18 . 1 1 20 20 THR CB C 20 65.863 65.863 70.132 -4.269 25269
3266 1 18 . 1 1 20 20 THR H H 20 7.850 7.850 7.655 0.195 25269
3267 1 18 . 1 1 21 21 CYS N N 21 119.701 119.701 124.887 -5.186 25269
3268 1 18 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.594 -0.321 25269
3269 1 18 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.437 -3.073 25269
3270 1 18 . 1 1 21 21 CYS CB C 21 38.016 38.016 29.957 8.059 25269
3271 1 18 . 1 1 21 21 CYS H H 21 8.037 8.037 8.854 -0.817 25269
3272 1 18 . 1 1 22 22 ASP N N 22 119.085 119.085 118.522 0.563 25269
3273 1 18 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.579 -0.127 25269
3274 1 18 . 1 1 22 22 ASP CA C 22 53.927 53.927 55.023 -1.096 25269
3275 1 18 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.908 -5.825 25269
3276 1 18 . 1 1 22 22 ASP H H 22 8.447 8.447 8.296 0.151 25269
3277 1 18 . 1 1 23 23 TYR N N 23 121.546 121.546 119.052 2.494 25269
3278 1 18 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.332 -0.207 25269
3279 1 18 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.292 -2.987 25269
3280 1 18 . 1 1 23 23 TYR CB C 23 35.723 35.723 38.487 -2.764 25269
3281 1 18 . 1 1 23 23 TYR H H 23 8.037 8.037 8.203 -0.166 25269
3282 1 18 . 1 1 24 24 MET N N 24 120.054 120.054 116.643 3.411 25269
3283 1 18 . 1 1 24 24 MET HA H 24 4.123 4.123 4.357 -0.234 25269
3284 1 18 . 1 1 24 24 MET CA C 24 56.163 56.163 57.684 -1.521 25269
3285 1 18 . 1 1 24 24 MET CB C 24 28.747 28.747 31.070 -2.323 25269
3286 1 18 . 1 1 24 24 MET H H 24 8.459 8.459 7.960 0.499 25269
3287 1 18 . 1 1 25 25 TYR N N 25 120.358 120.358 120.189 0.169 25269
3288 1 18 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.320 -0.196 25269
3289 1 18 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.355 -0.710 25269
3290 1 18 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.491 -1.981 25269
3291 1 18 . 1 1 25 25 TYR H H 25 8.909 8.909 7.437 1.472 25269
3292 1 18 . 1 1 26 26 SER N N 26 112.447 112.447 114.068 -1.621 25269
3293 1 18 . 1 1 26 26 SER HA H 26 4.124 4.124 4.569 -0.445 25269
3294 1 18 . 1 1 26 26 SER CA C 26 58.949 58.949 58.549 0.400 25269
3295 1 18 . 1 1 26 26 SER CB C 26 60.889 60.889 63.308 -2.419 25269
3296 1 18 . 1 1 26 26 SER H H 26 8.039 8.039 7.562 0.477 25269
3297 1 18 . 1 1 27 27 HIS N N 27 116.202 116.202 115.621 0.581 25269
3298 1 18 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.302 -0.078 25269
3299 1 18 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.148 -1.742 25269
3300 1 18 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.558 -2.006 25269
3301 1 18 . 1 1 27 27 HIS H H 27 7.790 7.790 8.156 -0.366 25269
3302 1 18 . 1 1 28 28 CYS N N 28 115.699 115.699 116.918 -1.219 25269
3303 1 18 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.736 -0.511 25269
3304 1 18 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.415 -4.021 25269
3305 1 18 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.589 10.890 25269
3306 1 18 . 1 1 28 28 CYS H H 28 8.096 8.096 8.132 -0.036 25269
3307 1 18 . 1 1 29 29 PHE N N 29 115.898 115.898 119.323 -3.425 25269
3308 1 18 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.926 -0.328 25269
3309 1 18 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.615 -2.562 25269
3310 1 18 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.677 -3.207 25269
3311 1 18 . 1 1 29 29 PHE H H 29 7.682 7.682 7.949 -0.267 25269
3312 1 18 . 1 1 30 30 GLY N N 30 107.941 107.941 107.890 0.051 25269
3313 1 18 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.163 -3.269 25269
3314 1 18 . 1 1 30 30 GLY H H 30 7.577 7.577 8.822 -1.245 25269
3315 1 18 . 1 1 31 31 VAL N N 31 115.625 115.625 111.856 3.769 25269
3316 1 18 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.205 -0.157 25269
3317 1 18 . 1 1 31 31 VAL CA C 31 58.995 58.995 63.254 -4.259 25269
3318 1 18 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.223 -1.880 25269
3319 1 18 . 1 1 31 31 VAL H H 31 7.584 7.584 7.901 -0.317 25269
3320 1 18 . 1 1 32 32 LYS N N 32 123.707 123.707 119.461 4.246 25269
3321 1 18 . 1 1 32 32 LYS HA H 32 4.196 4.196 4.144 0.052 25269
3322 1 18 . 1 1 32 32 LYS CA C 32 53.280 53.280 55.219 -1.939 25269
3323 1 18 . 1 1 32 32 LYS CB C 32 30.389 30.389 33.030 -2.641 25269
3324 1 18 . 1 1 32 32 LYS H H 32 8.002 8.002 7.788 0.214 25269
3325 1 18 . 1 1 33 33 HIS N N 33 119.228 119.228 118.853 0.375 25269
3326 1 18 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.606 0.012 25269
3327 1 18 . 1 1 33 33 HIS CA C 33 52.353 52.353 56.696 -4.343 25269
3328 1 18 . 1 1 33 33 HIS CB C 33 26.559 26.559 30.662 -4.103 25269
3329 1 18 . 1 1 33 33 HIS H H 33 8.205 8.205 8.418 -0.213 25269
3330 1 18 . 1 1 34 34 SER N N 34 114.324 114.324 114.348 -0.024 25269
3331 1 18 . 1 1 34 34 SER HA H 34 4.329 4.329 4.425 -0.096 25269
3332 1 18 . 1 1 34 34 SER CA C 34 55.392 55.392 58.583 -3.191 25269
3333 1 18 . 1 1 34 34 SER CB C 34 61.072 61.072 62.694 -1.622 25269
3334 1 18 . 1 1 34 34 SER H H 34 7.814 7.814 8.457 -0.643 25269
3335 1 18 . 1 1 35 35 SER N N 35 117.133 117.133 115.081 2.052 25269
3336 1 18 . 1 1 35 35 SER HA H 35 4.392 4.392 4.599 -0.207 25269
3337 1 18 . 1 1 35 35 SER CA C 35 55.618 55.618 57.993 -2.375 25269
3338 1 18 . 1 1 35 35 SER CB C 35 61.247 61.247 64.144 -2.897 25269
3339 1 18 . 1 1 35 35 SER H H 35 8.185 8.185 8.102 0.083 25269
3340 1 18 . 1 1 36 36 GLY N N 36 107.839 107.839 110.208 -2.369 25269
3341 1 18 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.007 -2.584 25269
3342 1 18 . 1 1 36 36 GLY H H 36 8.021 8.021 8.357 -0.336 25269
3343 1 18 . 1 1 37 37 GLY N N 37 109.587 109.587 106.727 2.860 25269
3344 1 18 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.926 -2.339 25269
3345 1 18 . 1 1 37 37 GLY H H 37 8.159 8.159 8.200 -0.041 25269
3346 1 18 . 1 1 38 38 GLY N N 38 107.839 107.839 108.234 -0.395 25269
3347 1 18 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.634 -3.211 25269
3348 1 18 . 1 1 38 38 GLY H H 38 8.047 8.047 8.406 -0.359 25269
3349 1 18 . 1 1 39 39 GLY N N 39 107.993 107.993 108.570 -0.577 25269
3350 1 18 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.859 -2.316 25269
3351 1 18 . 1 1 39 39 GLY H H 39 8.095 8.095 8.174 -0.079 25269
3352 1 18 . 1 1 40 40 SER N N 40 116.643 116.643 116.202 0.441 25269
3353 1 18 . 1 1 40 40 SER HA H 40 4.394 4.394 4.806 -0.412 25269
3354 1 18 . 1 1 40 40 SER CA C 40 55.388 55.388 57.460 -2.072 25269
3355 1 18 . 1 1 40 40 SER CB C 40 61.227 61.227 64.666 -3.439 25269
3356 1 18 . 1 1 40 40 SER H H 40 8.079 8.079 8.424 -0.345 25269
3357 1 18 . 1 1 41 41 TYR N N 41 120.646 120.646 122.917 -2.271 25269
3358 1 18 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.419 0.032 25269
3359 1 18 . 1 1 41 41 TYR CA C 41 55.125 55.125 59.822 -4.697 25269
3360 1 18 . 1 1 41 41 TYR CB C 41 36.013 36.013 37.980 -1.967 25269
3361 1 18 . 1 1 41 41 TYR H H 41 7.854 7.854 8.739 -0.885 25269
3362 1 18 . 1 1 42 42 HIS N N 42 118.252 118.252 118.294 -0.042 25269
3363 1 18 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.346 0.261 25269
3364 1 18 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.880 -3.960 25269
3365 1 18 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.875 -2.767 25269
3366 1 18 . 1 1 42 42 HIS H H 42 7.806 7.806 7.928 -0.122 25269
3367 1 19 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.205 -0.070 25269
3368 1 19 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.947 -1.842 25269
3369 1 19 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.581 -2.528 25269
3370 1 19 . 1 1 3 3 ALA N N 3 124.626 124.626 119.073 5.553 25269
3371 1 19 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.174 -0.002 25269
3372 1 19 . 1 1 3 3 ALA CA C 3 50.590 50.590 52.864 -2.274 25269
3373 1 19 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.891 -2.981 25269
3374 1 19 . 1 1 3 3 ALA H H 3 8.259 8.259 8.295 -0.036 25269
3375 1 19 . 1 1 4 4 TRP N N 4 117.335 117.335 113.225 4.110 25269
3376 1 19 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.735 -0.466 25269
3377 1 19 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.038 5.056 25269
3378 1 19 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.591 -1.349 25269
3379 1 19 . 1 1 4 4 TRP H H 4 7.581 7.581 6.891 0.690 25269
3380 1 19 . 1 1 5 5 CYS N N 5 117.878 117.878 118.451 -0.573 25269
3381 1 19 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.816 -0.612 25269
3382 1 19 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.555 -3.442 25269
3383 1 19 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.419 5.953 25269
3384 1 19 . 1 1 5 5 CYS H H 5 7.880 7.880 7.092 0.788 25269
3385 1 19 . 1 1 6 6 TRP N N 6 120.116 120.116 121.489 -1.373 25269
3386 1 19 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.430 0.949 25269
3387 1 19 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.410 -3.364 25269
3388 1 19 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.575 -3.027 25269
3389 1 19 . 1 1 6 6 TRP H H 6 7.514 7.514 8.357 -0.843 25269
3390 1 19 . 1 1 7 7 TYR N N 7 117.617 117.617 115.932 1.685 25269
3391 1 19 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.108 0.098 25269
3392 1 19 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.914 -1.558 25269
3393 1 19 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.879 -1.286 25269
3394 1 19 . 1 1 7 7 TYR H H 7 7.758 7.758 8.493 -0.735 25269
3395 1 19 . 1 1 8 8 THR N N 8 114.013 114.013 108.476 5.537 25269
3396 1 19 . 1 1 8 8 THR HA H 8 3.807 3.807 4.218 -0.411 25269
3397 1 19 . 1 1 8 8 THR CA C 8 63.506 63.506 62.773 0.733 25269
3398 1 19 . 1 1 8 8 THR CB C 8 65.965 65.965 67.629 -1.664 25269
3399 1 19 . 1 1 8 8 THR H H 8 7.843 7.843 8.328 -0.485 25269
3400 1 19 . 1 1 9 9 LEU N N 9 121.631 121.631 120.417 1.214 25269
3401 1 19 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.327 -0.387 25269
3402 1 19 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.246 -0.855 25269
3403 1 19 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.775 -4.100 25269
3404 1 19 . 1 1 9 9 LEU H H 9 7.750 7.750 7.924 -0.174 25269
3405 1 19 . 1 1 10 10 ALA N N 10 120.229 120.229 119.491 0.738 25269
3406 1 19 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.905 0.100 25269
3407 1 19 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.660 -1.026 25269
3408 1 19 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.505 -1.947 25269
3409 1 19 . 1 1 10 10 ALA H H 10 7.592 7.592 8.092 -0.500 25269
3410 1 19 . 1 1 11 11 MET N N 11 114.827 114.827 114.897 -0.070 25269
3411 1 19 . 1 1 11 11 MET HA H 11 3.800 3.800 4.277 -0.477 25269
3412 1 19 . 1 1 11 11 MET CA C 11 55.416 55.416 56.160 -0.744 25269
3413 1 19 . 1 1 11 11 MET CB C 11 30.203 30.203 32.626 -2.423 25269
3414 1 19 . 1 1 11 11 MET H H 11 7.788 7.788 8.033 -0.245 25269
3415 1 19 . 1 1 12 12 CYS N N 12 117.096 117.096 118.730 -1.634 25269
3416 1 19 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.560 0.001 25269
3417 1 19 . 1 1 12 12 CYS CA C 12 55.551 55.551 60.117 -4.566 25269
3418 1 19 . 1 1 12 12 CYS CB C 12 39.733 39.733 27.276 12.457 25269
3419 1 19 . 1 1 12 12 CYS H H 12 8.155 8.155 7.752 0.403 25269
3420 1 19 . 1 1 13 13 GLY N N 13 108.467 108.467 111.264 -2.797 25269
3421 1 19 . 1 1 13 13 GLY CA C 13 43.469 43.469 45.955 -2.486 25269
3422 1 19 . 1 1 13 13 GLY H H 13 8.112 8.112 8.660 -0.548 25269
3423 1 19 . 1 1 14 14 ALA N N 14 121.448 121.448 121.398 0.050 25269
3424 1 19 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.504 -0.204 25269
3425 1 19 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.388 -1.925 25269
3426 1 19 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.482 -3.135 25269
3427 1 19 . 1 1 14 14 ALA H H 14 7.662 7.662 7.819 -0.157 25269
3428 1 19 . 1 1 15 15 GLY N N 15 104.928 104.928 107.569 -2.641 25269
3429 1 19 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.554 -3.823 25269
3430 1 19 . 1 1 15 15 GLY H H 15 7.695 7.695 8.323 -0.628 25269
3431 1 19 . 1 1 16 16 TYR N N 16 118.658 118.658 119.282 -0.624 25269
3432 1 19 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.478 -0.012 25269
3433 1 19 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.443 -4.224 25269
3434 1 19 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.939 -3.880 25269
3435 1 19 . 1 1 16 16 TYR H H 16 7.604 7.604 8.242 -0.638 25269
3436 1 19 . 1 1 17 17 ASP N N 17 118.647 118.647 117.261 1.386 25269
3437 1 19 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.833 -0.229 25269
3438 1 19 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.311 -3.013 25269
3439 1 19 . 1 1 17 17 ASP CB C 17 36.072 36.072 43.190 -7.117 25269
3440 1 19 . 1 1 17 17 ASP H H 17 7.919 7.919 7.934 -0.015 25269
3441 1 19 . 1 1 18 18 SER N N 18 116.466 116.466 116.448 0.018 25269
3442 1 19 . 1 1 18 18 SER HA H 18 4.272 4.272 4.483 -0.211 25269
3443 1 19 . 1 1 18 18 SER CA C 18 55.383 55.383 58.319 -2.936 25269
3444 1 19 . 1 1 18 18 SER CB C 18 67.330 67.330 61.738 5.592 25269
3445 1 19 . 1 1 18 18 SER H H 18 8.039 8.039 8.549 -0.510 25269
3446 1 19 . 1 1 19 19 GLY N N 19 111.185 111.185 110.038 1.147 25269
3447 1 19 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.082 -1.808 25269
3448 1 19 . 1 1 19 19 GLY H H 19 8.331 8.331 8.003 0.328 25269
3449 1 19 . 1 1 20 20 THR N N 20 116.439 116.439 113.889 2.550 25269
3450 1 19 . 1 1 20 20 THR HA H 20 4.110 4.110 4.418 -0.308 25269
3451 1 19 . 1 1 20 20 THR CA C 20 62.430 62.430 61.952 0.478 25269
3452 1 19 . 1 1 20 20 THR CB C 20 65.863 65.863 70.188 -4.325 25269
3453 1 19 . 1 1 20 20 THR H H 20 7.850 7.850 7.633 0.217 25269
3454 1 19 . 1 1 21 21 CYS N N 21 119.701 119.701 125.045 -5.344 25269
3455 1 19 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.574 -0.301 25269
3456 1 19 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.069 -2.705 25269
3457 1 19 . 1 1 21 21 CYS CB C 21 38.016 38.016 29.983 8.033 25269
3458 1 19 . 1 1 21 21 CYS H H 21 8.037 8.037 8.863 -0.826 25269
3459 1 19 . 1 1 22 22 ASP N N 22 119.085 119.085 118.365 0.720 25269
3460 1 19 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.580 -0.128 25269
3461 1 19 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.833 -0.906 25269
3462 1 19 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.715 -5.633 25269
3463 1 19 . 1 1 22 22 ASP H H 22 8.447 8.447 8.043 0.404 25269
3464 1 19 . 1 1 23 23 TYR N N 23 121.546 121.546 121.092 0.454 25269
3465 1 19 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.424 -0.299 25269
3466 1 19 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.733 -2.428 25269
3467 1 19 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.890 -2.167 25269
3468 1 19 . 1 1 23 23 TYR H H 23 8.037 8.037 7.752 0.285 25269
3469 1 19 . 1 1 24 24 MET N N 24 120.054 120.054 116.594 3.460 25269
3470 1 19 . 1 1 24 24 MET HA H 24 4.123 4.123 4.312 -0.189 25269
3471 1 19 . 1 1 24 24 MET CA C 24 56.163 56.163 58.230 -2.067 25269
3472 1 19 . 1 1 24 24 MET CB C 24 28.747 28.747 30.515 -1.768 25269
3473 1 19 . 1 1 24 24 MET H H 24 8.459 8.459 8.094 0.365 25269
3474 1 19 . 1 1 25 25 TYR N N 25 120.358 120.358 118.444 1.914 25269
3475 1 19 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.241 -0.117 25269
3476 1 19 . 1 1 25 25 TYR CA C 25 59.645 59.645 60.237 -0.592 25269
3477 1 19 . 1 1 25 25 TYR CB C 25 35.510 35.510 38.072 -2.562 25269
3478 1 19 . 1 1 25 25 TYR H H 25 8.909 8.909 7.447 1.462 25269
3479 1 19 . 1 1 26 26 SER N N 26 112.447 112.447 112.205 0.242 25269
3480 1 19 . 1 1 26 26 SER HA H 26 4.124 4.124 4.560 -0.436 25269
3481 1 19 . 1 1 26 26 SER CA C 26 58.949 58.949 58.271 0.678 25269
3482 1 19 . 1 1 26 26 SER CB C 26 60.889 60.889 63.680 -2.791 25269
3483 1 19 . 1 1 26 26 SER H H 26 8.039 8.039 7.496 0.543 25269
3484 1 19 . 1 1 27 27 HIS N N 27 116.202 116.202 115.705 0.497 25269
3485 1 19 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.423 -0.199 25269
3486 1 19 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.461 -2.055 25269
3487 1 19 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.097 -1.545 25269
3488 1 19 . 1 1 27 27 HIS H H 27 7.790 7.790 8.090 -0.300 25269
3489 1 19 . 1 1 28 28 CYS N N 28 115.699 115.699 116.152 -0.453 25269
3490 1 19 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.791 -0.566 25269
3491 1 19 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.850 -4.456 25269
3492 1 19 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.597 10.882 25269
3493 1 19 . 1 1 28 28 CYS H H 28 8.096 8.096 8.015 0.081 25269
3494 1 19 . 1 1 29 29 PHE N N 29 115.898 115.898 118.871 -2.973 25269
3495 1 19 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.962 -0.364 25269
3496 1 19 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.654 -2.601 25269
3497 1 19 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.806 -3.336 25269
3498 1 19 . 1 1 29 29 PHE H H 29 7.682 7.682 7.782 -0.100 25269
3499 1 19 . 1 1 30 30 GLY N N 30 107.941 107.941 108.176 -0.235 25269
3500 1 19 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.392 -3.498 25269
3501 1 19 . 1 1 30 30 GLY H H 30 7.577 7.577 8.761 -1.184 25269
3502 1 19 . 1 1 31 31 VAL N N 31 115.625 115.625 111.533 4.092 25269
3503 1 19 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.249 -0.201 25269
3504 1 19 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.452 -3.457 25269
3505 1 19 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.127 -1.784 25269
3506 1 19 . 1 1 31 31 VAL H H 31 7.584 7.584 8.005 -0.421 25269
3507 1 19 . 1 1 32 32 LYS N N 32 123.707 123.707 119.037 4.670 25269
3508 1 19 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.696 0.500 25269
3509 1 19 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.047 -2.767 25269
3510 1 19 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.209 -1.820 25269
3511 1 19 . 1 1 32 32 LYS H H 32 8.002 8.002 7.683 0.319 25269
3512 1 19 . 1 1 33 33 HIS N N 33 119.228 119.228 117.273 1.955 25269
3513 1 19 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.799 -0.181 25269
3514 1 19 . 1 1 33 33 HIS CA C 33 52.353 52.353 54.295 -1.942 25269
3515 1 19 . 1 1 33 33 HIS CB C 33 26.559 26.559 32.750 -6.191 25269
3516 1 19 . 1 1 33 33 HIS H H 33 8.205 8.205 8.186 0.019 25269
3517 1 19 . 1 1 34 34 SER N N 34 114.324 114.324 115.436 -1.112 25269
3518 1 19 . 1 1 34 34 SER HA H 34 4.329 4.329 4.515 -0.186 25269
3519 1 19 . 1 1 34 34 SER CA C 34 55.392 55.392 59.170 -3.778 25269
3520 1 19 . 1 1 34 34 SER CB C 34 61.072 61.072 63.847 -2.775 25269
3521 1 19 . 1 1 34 34 SER H H 34 7.814 7.814 8.395 -0.581 25269
3522 1 19 . 1 1 35 35 SER N N 35 117.133 117.133 115.010 2.123 25269
3523 1 19 . 1 1 35 35 SER HA H 35 4.392 4.392 4.573 -0.181 25269
3524 1 19 . 1 1 35 35 SER CA C 35 55.618 55.618 58.252 -2.634 25269
3525 1 19 . 1 1 35 35 SER CB C 35 61.247 61.247 63.360 -2.113 25269
3526 1 19 . 1 1 35 35 SER H H 35 8.185 8.185 8.389 -0.204 25269
3527 1 19 . 1 1 36 36 GLY N N 36 107.839 107.839 109.554 -1.715 25269
3528 1 19 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.463 -3.040 25269
3529 1 19 . 1 1 36 36 GLY H H 36 8.021 8.021 7.376 0.645 25269
3530 1 19 . 1 1 37 37 GLY N N 37 109.587 109.587 109.655 -0.068 25269
3531 1 19 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.699 -2.111 25269
3532 1 19 . 1 1 37 37 GLY H H 37 8.159 8.159 8.094 0.065 25269
3533 1 19 . 1 1 38 38 GLY N N 38 107.839 107.839 108.472 -0.633 25269
3534 1 19 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.476 -2.053 25269
3535 1 19 . 1 1 38 38 GLY H H 38 8.047 8.047 9.712 -1.665 25269
3536 1 19 . 1 1 39 39 GLY N N 39 107.993 107.993 108.174 -0.181 25269
3537 1 19 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.461 -1.918 25269
3538 1 19 . 1 1 39 39 GLY H H 39 8.095 8.095 8.022 0.073 25269
3539 1 19 . 1 1 40 40 SER N N 40 116.643 116.643 120.306 -3.663 25269
3540 1 19 . 1 1 40 40 SER HA H 40 4.394 4.394 4.787 -0.393 25269
3541 1 19 . 1 1 40 40 SER CA C 40 55.388 55.388 58.221 -2.833 25269
3542 1 19 . 1 1 40 40 SER CB C 40 61.227 61.227 63.773 -2.546 25269
3543 1 19 . 1 1 40 40 SER H H 40 8.079 8.079 8.531 -0.452 25269
3544 1 19 . 1 1 41 41 TYR N N 41 120.646 120.646 122.872 -2.226 25269
3545 1 19 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.782 -0.331 25269
3546 1 19 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.467 -3.342 25269
3547 1 19 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.254 -2.241 25269
3548 1 19 . 1 1 41 41 TYR H H 41 7.854 7.854 8.527 -0.673 25269
3549 1 19 . 1 1 42 42 HIS N N 42 118.252 118.252 119.757 -1.505 25269
3550 1 19 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.305 0.302 25269
3551 1 19 . 1 1 42 42 HIS CA C 42 51.920 51.920 55.360 -3.440 25269
3552 1 19 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.253 -2.145 25269
3553 1 19 . 1 1 42 42 HIS H H 42 7.806 7.806 7.306 0.500 25269
3554 1 20 . 1 1 2 2 PRO HA H 2 4.135 4.135 4.223 -0.088 25269
3555 1 20 . 1 1 2 2 PRO CA C 2 60.105 60.105 62.033 -1.928 25269
3556 1 20 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.490 -2.437 25269
3557 1 20 . 1 1 3 3 ALA N N 3 124.626 124.626 119.110 5.516 25269
3558 1 20 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.424 -0.252 25269
3559 1 20 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.163 -2.573 25269
3560 1 20 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.942 -3.032 25269
3561 1 20 . 1 1 3 3 ALA H H 3 8.259 8.259 8.394 -0.135 25269
3562 1 20 . 1 1 4 4 TRP N N 4 117.335 117.335 113.065 4.270 25269
3563 1 20 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.754 -0.485 25269
3564 1 20 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.174 4.920 25269
3565 1 20 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.657 -1.415 25269
3566 1 20 . 1 1 4 4 TRP H H 4 7.581 7.581 6.941 0.640 25269
3567 1 20 . 1 1 5 5 CYS N N 5 117.878 117.878 117.811 0.067 25269
3568 1 20 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.891 -0.687 25269
3569 1 20 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.354 -3.241 25269
3570 1 20 . 1 1 5 5 CYS CB C 5 36.372 36.372 29.998 6.374 25269
3571 1 20 . 1 1 5 5 CYS H H 5 7.880 7.880 7.223 0.657 25269
3572 1 20 . 1 1 6 6 TRP N N 6 120.116 120.116 122.236 -2.120 25269
3573 1 20 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.331 1.048 25269
3574 1 20 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.856 -3.811 25269
3575 1 20 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.314 -2.766 25269
3576 1 20 . 1 1 6 6 TRP H H 6 7.514 7.514 8.549 -1.035 25269
3577 1 20 . 1 1 7 7 TYR N N 7 117.617 117.617 115.203 2.414 25269
3578 1 20 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.143 0.063 25269
3579 1 20 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.767 -1.411 25269
3580 1 20 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.941 -1.349 25269
3581 1 20 . 1 1 7 7 TYR H H 7 7.758 7.758 8.477 -0.719 25269
3582 1 20 . 1 1 8 8 THR N N 8 114.013 114.013 108.314 5.699 25269
3583 1 20 . 1 1 8 8 THR HA H 8 3.807 3.807 4.363 -0.556 25269
3584 1 20 . 1 1 8 8 THR CA C 8 63.506 63.506 63.415 0.091 25269
3585 1 20 . 1 1 8 8 THR CB C 8 65.965 65.965 67.489 -1.524 25269
3586 1 20 . 1 1 8 8 THR H H 8 7.843 7.843 8.538 -0.695 25269
3587 1 20 . 1 1 9 9 LEU N N 9 121.631 121.631 120.399 1.232 25269
3588 1 20 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.272 -0.332 25269
3589 1 20 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.025 -0.634 25269
3590 1 20 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.616 -3.941 25269
3591 1 20 . 1 1 9 9 LEU H H 9 7.750 7.750 7.937 -0.187 25269
3592 1 20 . 1 1 10 10 ALA N N 10 120.229 120.229 119.010 1.219 25269
3593 1 20 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.864 0.141 25269
3594 1 20 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.745 -1.111 25269
3595 1 20 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.267 -1.708 25269
3596 1 20 . 1 1 10 10 ALA H H 10 7.592 7.592 7.962 -0.370 25269
3597 1 20 . 1 1 11 11 MET N N 11 114.827 114.827 115.650 -0.823 25269
3598 1 20 . 1 1 11 11 MET HA H 11 3.800 3.800 3.923 -0.123 25269
3599 1 20 . 1 1 11 11 MET CA C 11 55.416 55.416 55.148 0.268 25269
3600 1 20 . 1 1 11 11 MET CB C 11 30.203 30.203 32.604 -2.401 25269
3601 1 20 . 1 1 11 11 MET H H 11 7.788 7.788 8.126 -0.338 25269
3602 1 20 . 1 1 12 12 CYS N N 12 117.096 117.096 117.791 -0.695 25269
3603 1 20 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.576 -0.015 25269
3604 1 20 . 1 1 12 12 CYS CA C 12 55.551 55.551 58.360 -2.809 25269
3605 1 20 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.431 11.302 25269
3606 1 20 . 1 1 12 12 CYS H H 12 8.155 8.155 7.481 0.674 25269
3607 1 20 . 1 1 13 13 GLY N N 13 108.467 108.467 111.454 -2.987 25269
3608 1 20 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.005 -2.537 25269
3609 1 20 . 1 1 13 13 GLY H H 13 8.112 8.112 8.716 -0.604 25269
3610 1 20 . 1 1 14 14 ALA N N 14 121.448 121.448 121.393 0.055 25269
3611 1 20 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.475 -0.175 25269
3612 1 20 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.399 -1.936 25269
3613 1 20 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.410 -3.063 25269
3614 1 20 . 1 1 14 14 ALA H H 14 7.662 7.662 7.868 -0.206 25269
3615 1 20 . 1 1 15 15 GLY N N 15 104.928 104.928 107.227 -2.299 25269
3616 1 20 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.358 -3.627 25269
3617 1 20 . 1 1 15 15 GLY H H 15 7.695 7.695 8.359 -0.664 25269
3618 1 20 . 1 1 16 16 TYR N N 16 118.658 118.658 119.329 -0.671 25269
3619 1 20 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.451 0.014 25269
3620 1 20 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.619 -4.400 25269
3621 1 20 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.695 -3.636 25269
3622 1 20 . 1 1 16 16 TYR H H 16 7.604 7.604 8.311 -0.707 25269
3623 1 20 . 1 1 17 17 ASP N N 17 118.647 118.647 116.754 1.893 25269
3624 1 20 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.811 -0.207 25269
3625 1 20 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.353 -3.055 25269
3626 1 20 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.761 -6.689 25269
3627 1 20 . 1 1 17 17 ASP H H 17 7.919 7.919 7.686 0.233 25269
3628 1 20 . 1 1 18 18 SER N N 18 116.466 116.466 117.105 -0.639 25269
3629 1 20 . 1 1 18 18 SER HA H 18 4.272 4.272 4.523 -0.251 25269
3630 1 20 . 1 1 18 18 SER CA C 18 55.383 55.383 58.161 -2.778 25269
3631 1 20 . 1 1 18 18 SER CB C 18 67.330 67.330 61.695 5.635 25269
3632 1 20 . 1 1 18 18 SER H H 18 8.039 8.039 8.502 -0.463 25269
3633 1 20 . 1 1 19 19 GLY N N 19 111.185 111.185 110.291 0.894 25269
3634 1 20 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.032 -1.758 25269
3635 1 20 . 1 1 19 19 GLY H H 19 8.331 8.331 8.044 0.287 25269
3636 1 20 . 1 1 20 20 THR N N 20 116.439 116.439 114.551 1.888 25269
3637 1 20 . 1 1 20 20 THR HA H 20 4.110 4.110 4.420 -0.310 25269
3638 1 20 . 1 1 20 20 THR CA C 20 62.430 62.430 62.470 -0.040 25269
3639 1 20 . 1 1 20 20 THR CB C 20 65.863 65.863 70.205 -4.342 25269
3640 1 20 . 1 1 20 20 THR H H 20 7.850 7.850 7.859 -0.009 25269
3641 1 20 . 1 1 21 21 CYS N N 21 119.701 119.701 125.127 -5.426 25269
3642 1 20 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.599 -0.326 25269
3643 1 20 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.062 -2.698 25269
3644 1 20 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.045 7.971 25269
3645 1 20 . 1 1 21 21 CYS H H 21 8.037 8.037 8.931 -0.894 25269
3646 1 20 . 1 1 22 22 ASP N N 22 119.085 119.085 118.864 0.221 25269
3647 1 20 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.582 -0.130 25269
3648 1 20 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.679 -0.752 25269
3649 1 20 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.700 -5.617 25269
3650 1 20 . 1 1 22 22 ASP H H 22 8.447 8.447 8.566 -0.119 25269
3651 1 20 . 1 1 23 23 TYR N N 23 121.546 121.546 121.263 0.283 25269
3652 1 20 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.457 -0.332 25269
3653 1 20 . 1 1 23 23 TYR CA C 23 58.305 58.305 60.993 -2.688 25269
3654 1 20 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.900 -2.177 25269
3655 1 20 . 1 1 23 23 TYR H H 23 8.037 8.037 7.876 0.161 25269
3656 1 20 . 1 1 24 24 MET N N 24 120.054 120.054 116.718 3.336 25269
3657 1 20 . 1 1 24 24 MET HA H 24 4.123 4.123 4.261 -0.138 25269
3658 1 20 . 1 1 24 24 MET CA C 24 56.163 56.163 58.183 -2.020 25269
3659 1 20 . 1 1 24 24 MET CB C 24 28.747 28.747 30.471 -1.724 25269
3660 1 20 . 1 1 24 24 MET H H 24 8.459 8.459 8.071 0.388 25269
3661 1 20 . 1 1 25 25 TYR N N 25 120.358 120.358 119.392 0.966 25269
3662 1 20 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.242 -0.118 25269
3663 1 20 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.937 -0.292 25269
3664 1 20 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.618 -2.108 25269
3665 1 20 . 1 1 25 25 TYR H H 25 8.909 8.909 7.422 1.487 25269
3666 1 20 . 1 1 26 26 SER N N 26 112.447 112.447 112.129 0.318 25269
3667 1 20 . 1 1 26 26 SER HA H 26 4.124 4.124 4.607 -0.483 25269
3668 1 20 . 1 1 26 26 SER CA C 26 58.949 58.949 58.325 0.624 25269
3669 1 20 . 1 1 26 26 SER CB C 26 60.889 60.889 63.182 -2.293 25269
3670 1 20 . 1 1 26 26 SER H H 26 8.039 8.039 7.468 0.571 25269
3671 1 20 . 1 1 27 27 HIS N N 27 116.202 116.202 115.065 1.137 25269
3672 1 20 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.402 -0.178 25269
3673 1 20 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.558 -2.152 25269
3674 1 20 . 1 1 27 27 HIS CB C 27 25.552 25.552 26.798 -1.246 25269
3675 1 20 . 1 1 27 27 HIS H H 27 7.790 7.790 8.059 -0.269 25269
3676 1 20 . 1 1 28 28 CYS N N 28 115.699 115.699 116.101 -0.402 25269
3677 1 20 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.810 -0.585 25269
3678 1 20 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.907 -4.513 25269
3679 1 20 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.945 10.534 25269
3680 1 20 . 1 1 28 28 CYS H H 28 8.096 8.096 7.989 0.107 25269
3681 1 20 . 1 1 29 29 PHE N N 29 115.898 115.898 119.069 -3.171 25269
3682 1 20 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.916 -0.318 25269
3683 1 20 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.752 -2.699 25269
3684 1 20 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.785 -3.315 25269
3685 1 20 . 1 1 29 29 PHE H H 29 7.682 7.682 7.749 -0.067 25269
3686 1 20 . 1 1 30 30 GLY N N 30 107.941 107.941 107.618 0.323 25269
3687 1 20 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.404 -3.510 25269
3688 1 20 . 1 1 30 30 GLY H H 30 7.577 7.577 8.688 -1.111 25269
3689 1 20 . 1 1 31 31 VAL N N 31 115.625 115.625 113.705 1.920 25269
3690 1 20 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.110 -0.062 25269
3691 1 20 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.243 -3.248 25269
3692 1 20 . 1 1 31 31 VAL CB C 31 30.343 30.343 31.880 -1.537 25269
3693 1 20 . 1 1 31 31 VAL H H 31 7.584 7.584 7.861 -0.277 25269
3694 1 20 . 1 1 32 32 LYS N N 32 123.707 123.707 121.519 2.188 25269
3695 1 20 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.628 0.568 25269
3696 1 20 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.330 -3.050 25269
3697 1 20 . 1 1 32 32 LYS CB C 32 30.389 30.389 31.846 -1.456 25269
3698 1 20 . 1 1 32 32 LYS H H 32 8.002 8.002 7.683 0.319 25269
3699 1 20 . 1 1 33 33 HIS N N 33 119.228 119.228 122.789 -3.561 25269
3700 1 20 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.664 -0.046 25269
3701 1 20 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.069 -2.716 25269
3702 1 20 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.023 -4.464 25269
3703 1 20 . 1 1 33 33 HIS H H 33 8.205 8.205 8.449 -0.244 25269
3704 1 20 . 1 1 34 34 SER N N 34 114.324 114.324 123.824 -9.500 25269
3705 1 20 . 1 1 34 34 SER HA H 34 4.329 4.329 4.463 -0.134 25269
3706 1 20 . 1 1 34 34 SER CA C 34 55.392 55.392 59.002 -3.610 25269
3707 1 20 . 1 1 34 34 SER CB C 34 61.072 61.072 63.634 -2.562 25269
3708 1 20 . 1 1 34 34 SER H H 34 7.814 7.814 8.846 -1.032 25269
3709 1 20 . 1 1 35 35 SER N N 35 117.133 117.133 120.671 -3.538 25269
3710 1 20 . 1 1 35 35 SER HA H 35 4.392 4.392 4.330 0.062 25269
3711 1 20 . 1 1 35 35 SER CA C 35 55.618 55.618 60.508 -4.890 25269
3712 1 20 . 1 1 35 35 SER CB C 35 61.247 61.247 63.445 -2.198 25269
3713 1 20 . 1 1 35 35 SER H H 35 8.185 8.185 8.702 -0.517 25269
3714 1 20 . 1 1 36 36 GLY N N 36 107.839 107.839 107.253 0.586 25269
3715 1 20 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.354 -2.931 25269
3716 1 20 . 1 1 36 36 GLY H H 36 8.021 8.021 8.639 -0.618 25269
3717 1 20 . 1 1 37 37 GLY N N 37 109.587 109.587 106.098 3.489 25269
3718 1 20 . 1 1 37 37 GLY CA C 37 42.587 42.587 45.343 -2.756 25269
3719 1 20 . 1 1 37 37 GLY H H 37 8.159 8.159 10.185 -2.026 25269
3720 1 20 . 1 1 38 38 GLY N N 38 107.839 107.839 108.497 -0.658 25269
3721 1 20 . 1 1 38 38 GLY CA C 38 42.423 42.423 44.528 -2.105 25269
3722 1 20 . 1 1 38 38 GLY H H 38 8.047 8.047 8.408 -0.361 25269
3723 1 20 . 1 1 39 39 GLY N N 39 107.993 107.993 110.958 -2.965 25269
3724 1 20 . 1 1 39 39 GLY CA C 39 42.543 42.543 45.232 -2.689 25269
3725 1 20 . 1 1 39 39 GLY H H 39 8.095 8.095 8.302 -0.207 25269
3726 1 20 . 1 1 40 40 SER N N 40 116.643 116.643 116.580 0.063 25269
3727 1 20 . 1 1 40 40 SER HA H 40 4.394 4.394 4.588 -0.194 25269
3728 1 20 . 1 1 40 40 SER CA C 40 55.388 55.388 57.539 -2.151 25269
3729 1 20 . 1 1 40 40 SER CB C 40 61.227 61.227 64.023 -2.796 25269
3730 1 20 . 1 1 40 40 SER H H 40 8.079 8.079 7.958 0.121 25269
3731 1 20 . 1 1 41 41 TYR N N 41 120.646 120.646 125.083 -4.437 25269
3732 1 20 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.385 0.066 25269
3733 1 20 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.922 -3.797 25269
3734 1 20 . 1 1 41 41 TYR CB C 41 36.013 36.013 39.239 -3.226 25269
3735 1 20 . 1 1 41 41 TYR H H 41 7.854 7.854 8.590 -0.736 25269
3736 1 20 . 1 1 42 42 HIS N N 42 118.252 118.252 122.752 -4.500 25269
3737 1 20 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.315 0.292 25269
3738 1 20 . 1 1 42 42 HIS CA C 42 51.920 51.920 57.360 -5.440 25269
3739 1 20 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.948 -2.840 25269
3740 1 20 . 1 1 42 42 HIS H H 42 7.806 7.806 8.458 -0.652 25269
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 40 2.528 -0.300 2.542 25269
2 1 1 "Average Difference" HA 49 0.281 0.038 0.281 25269
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25269
4 1 1 "Average Difference" CA 41 2.864 2.220 1.832 25269
5 1 1 "Average Difference" CB 33 4.357 1.123 4.275 25269
6 1 1 "Average Difference" HN 40 0.559 0.110 0.555 25269
7 1 2 "Average Difference" N 40 2.834 -0.134 2.867 25269
8 1 2 "Average Difference" HA 49 0.297 0.084 0.288 25269
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25269
10 1 2 "Average Difference" CA 41 2.690 2.134 1.659 25269
11 1 2 "Average Difference" CB 33 4.392 1.091 4.321 25269
12 1 2 "Average Difference" HN 40 0.531 0.132 0.521 25269
13 1 3 "Average Difference" N 40 2.548 -0.118 2.578 25269
14 1 3 "Average Difference" HA 49 0.313 0.058 0.311 25269
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25269
16 1 3 "Average Difference" CA 41 2.704 2.109 1.713 25269
17 1 3 "Average Difference" CB 33 4.504 1.220 4.403 25269
18 1 3 "Average Difference" HN 40 0.567 0.149 0.554 25269
19 1 4 "Average Difference" N 40 2.761 0.104 2.794 25269
20 1 4 "Average Difference" HA 49 0.310 0.015 0.313 25269
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25269
22 1 4 "Average Difference" CA 41 2.830 2.250 1.738 25269
23 1 4 "Average Difference" CB 33 4.410 1.100 4.337 25269
24 1 4 "Average Difference" HN 40 0.559 0.138 0.549 25269
25 1 5 "Average Difference" N 40 2.563 -0.312 2.576 25269
26 1 5 "Average Difference" HA 49 0.288 0.073 0.281 25269
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25269
28 1 5 "Average Difference" CA 41 2.653 2.073 1.675 25269
29 1 5 "Average Difference" CB 33 4.481 1.250 4.370 25269
30 1 5 "Average Difference" HN 40 0.529 0.126 0.520 25269
31 1 6 "Average Difference" N 40 2.188 -0.342 2.189 25269
32 1 6 "Average Difference" HA 49 0.304 0.069 0.299 25269
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25269
34 1 6 "Average Difference" CA 41 2.793 2.168 1.783 25269
35 1 6 "Average Difference" CB 33 4.358 1.070 4.290 25269
36 1 6 "Average Difference" HN 40 0.630 0.159 0.617 25269
37 1 7 "Average Difference" N 40 2.557 -0.339 2.567 25269
38 1 7 "Average Difference" HA 49 0.346 0.044 0.347 25269
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25269
40 1 7 "Average Difference" CA 41 2.689 2.105 1.694 25269
41 1 7 "Average Difference" CB 33 4.469 1.159 4.383 25269
42 1 7 "Average Difference" HN 40 0.559 0.181 0.535 25269
43 1 8 "Average Difference" N 40 2.678 -0.330 2.692 25269
44 1 8 "Average Difference" HA 49 0.297 0.085 0.287 25269
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25269
46 1 8 "Average Difference" CA 41 2.687 2.091 1.708 25269
47 1 8 "Average Difference" CB 33 4.482 1.126 4.405 25269
48 1 8 "Average Difference" HN 40 0.542 0.136 0.531 25269
49 1 9 "Average Difference" N 40 2.393 -0.286 2.406 25269
50 1 9 "Average Difference" HA 49 0.310 0.097 0.298 25269
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25269
52 1 9 "Average Difference" CA 41 2.848 2.233 1.790 25269
53 1 9 "Average Difference" CB 33 4.430 1.082 4.363 25269
54 1 9 "Average Difference" HN 40 0.605 0.177 0.586 25269
55 1 10 "Average Difference" N 40 2.910 0.049 2.947 25269
56 1 10 "Average Difference" HA 49 0.321 0.093 0.310 25269
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25269
58 1 10 "Average Difference" CA 41 2.827 2.228 1.762 25269
59 1 10 "Average Difference" CB 33 4.396 1.168 4.303 25269
60 1 10 "Average Difference" HN 40 0.590 0.171 0.572 25269
61 1 11 "Average Difference" N 40 2.454 -0.325 2.463 25269
62 1 11 "Average Difference" HA 49 0.281 0.063 0.276 25269
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25269
64 1 11 "Average Difference" CA 41 2.747 2.160 1.719 25269
65 1 11 "Average Difference" CB 33 4.468 1.195 4.372 25269
66 1 11 "Average Difference" HN 40 0.545 0.142 0.532 25269
67 1 12 "Average Difference" N 40 3.038 0.040 3.077 25269
68 1 12 "Average Difference" HA 49 0.303 0.039 0.304 25269
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25269
70 1 12 "Average Difference" CA 41 2.704 2.107 1.716 25269
71 1 12 "Average Difference" CB 33 4.410 1.123 4.331 25269
72 1 12 "Average Difference" HN 40 0.567 0.112 0.563 25269
73 1 13 "Average Difference" N 40 2.470 -0.111 2.499 25269
74 1 13 "Average Difference" HA 49 0.323 0.065 0.319 25269
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25269
76 1 13 "Average Difference" CA 41 2.922 2.282 1.848 25269
77 1 13 "Average Difference" CB 33 4.406 1.111 4.330 25269
78 1 13 "Average Difference" HN 40 0.544 0.119 0.538 25269
79 1 14 "Average Difference" N 40 2.644 -0.487 2.632 25269
80 1 14 "Average Difference" HA 49 0.301 0.052 0.299 25269
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25269
82 1 14 "Average Difference" CA 41 2.736 2.109 1.765 25269
83 1 14 "Average Difference" CB 33 4.518 1.211 4.421 25269
84 1 14 "Average Difference" HN 40 0.539 0.151 0.524 25269
85 1 15 "Average Difference" N 40 2.693 0.047 2.727 25269
86 1 15 "Average Difference" HA 49 0.323 0.084 0.315 25269
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25269
88 1 15 "Average Difference" CA 41 2.858 2.228 1.812 25269
89 1 15 "Average Difference" CB 33 4.595 1.098 4.531 25269
90 1 15 "Average Difference" HN 40 0.562 0.173 0.542 25269
91 1 16 "Average Difference" N 40 2.735 -0.284 2.754 25269
92 1 16 "Average Difference" HA 49 0.320 0.030 0.322 25269
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25269
94 1 16 "Average Difference" CA 41 3.022 2.402 1.857 25269
95 1 16 "Average Difference" CB 33 4.497 1.069 4.436 25269
96 1 16 "Average Difference" HN 40 0.581 0.165 0.564 25269
97 1 17 "Average Difference" N 40 2.589 -0.253 2.609 25269
98 1 17 "Average Difference" HA 49 0.306 0.081 0.298 25269
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25269
100 1 17 "Average Difference" CA 41 2.889 2.270 1.810 25269
101 1 17 "Average Difference" CB 33 4.615 1.152 4.538 25269
102 1 17 "Average Difference" HN 40 0.543 0.155 0.527 25269
103 1 18 "Average Difference" N 40 2.598 -0.489 2.584 25269
104 1 18 "Average Difference" HA 49 0.307 0.090 0.297 25269
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25269
106 1 18 "Average Difference" CA 41 2.879 2.288 1.770 25269
107 1 18 "Average Difference" CB 33 4.591 1.153 4.513 25269
108 1 18 "Average Difference" HN 40 0.541 0.166 0.522 25269
109 1 19 "Average Difference" N 40 2.447 -0.357 2.452 25269
110 1 19 "Average Difference" HA 49 0.383 0.125 0.366 25269
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25269
112 1 19 "Average Difference" CA 41 2.734 2.136 1.728 25269
113 1 19 "Average Difference" CB 33 4.595 1.159 4.515 25269
114 1 19 "Average Difference" HN 40 0.600 0.118 0.596 25269
115 1 20 "Average Difference" N 40 2.990 0.210 3.021 25269
116 1 20 "Average Difference" HA 49 0.355 0.092 0.347 25269
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25269
118 1 20 "Average Difference" CA 41 2.875 2.255 1.806 25269
119 1 20 "Average Difference" CB 33 4.395 1.092 4.324 25269
120 1 20 "Average Difference" HN 40 0.660 0.240 0.623 25269
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 25269
_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 PRO HA H 2 4.135 4.135 4.170 -0.035 25269
2 1 . 1 1 2 2 PRO CA C 2 60.105 60.105 61.946 -1.841 25269
3 1 . 1 1 2 2 PRO CB C 2 29.053 29.053 31.504 -2.451 25269
4 1 . 1 1 3 3 ALA N N 3 124.626 124.626 119.203 5.423 25269
5 1 . 1 1 3 3 ALA HA H 3 4.172 4.172 4.171 0.001 25269
6 1 . 1 1 3 3 ALA CA C 3 50.590 50.590 53.036 -2.446 25269
7 1 . 1 1 3 3 ALA CB C 3 15.910 15.910 18.848 -2.938 25269
8 1 . 1 1 3 3 ALA H H 3 8.259 8.259 8.292 -0.033 25269
9 1 . 1 1 4 4 TRP N N 4 117.335 117.335 112.879 4.456 25269
10 1 . 1 1 4 4 TRP HA H 4 4.269 4.269 4.705 -0.436 25269
11 1 . 1 1 4 4 TRP CA C 4 59.094 59.094 54.185 4.909 25269
12 1 . 1 1 4 4 TRP CB C 4 26.242 26.242 27.712 -1.470 25269
13 1 . 1 1 4 4 TRP H H 4 7.581 7.581 6.838 0.743 25269
14 1 . 1 1 5 5 CYS N N 5 117.878 117.878 118.537 -0.659 25269
15 1 . 1 1 5 5 CYS HA H 5 4.204 4.204 4.806 -0.602 25269
16 1 . 1 1 5 5 CYS CA C 5 55.113 55.113 58.520 -3.407 25269
17 1 . 1 1 5 5 CYS CB C 5 36.372 36.372 30.227 6.145 25269
18 1 . 1 1 5 5 CYS H H 5 7.880 7.880 7.118 0.762 25269
19 1 . 1 1 6 6 TRP N N 6 120.116 120.116 121.639 -1.523 25269
20 1 . 1 1 6 6 TRP HA H 6 4.379 4.379 3.338 1.041 25269
21 1 . 1 1 6 6 TRP CA C 6 57.046 57.046 60.381 -3.335 25269
22 1 . 1 1 6 6 TRP CB C 6 26.548 26.548 29.544 -2.996 25269
23 1 . 1 1 6 6 TRP H H 6 7.514 7.514 8.359 -0.845 25269
24 1 . 1 1 7 7 TYR N N 7 117.617 117.617 115.441 2.175 25269
25 1 . 1 1 7 7 TYR HA H 7 4.206 4.206 4.121 0.084 25269
26 1 . 1 1 7 7 TYR CA C 7 57.356 57.356 58.570 -1.214 25269
27 1 . 1 1 7 7 TYR CB C 7 35.592 35.592 36.974 -1.382 25269
28 1 . 1 1 7 7 TYR H H 7 7.758 7.758 8.440 -0.682 25269
29 1 . 1 1 8 8 THR N N 8 114.013 114.013 107.174 6.839 25269
30 1 . 1 1 8 8 THR HA H 8 3.807 3.807 4.239 -0.431 25269
31 1 . 1 1 8 8 THR CA C 8 63.506 63.506 63.158 0.348 25269
32 1 . 1 1 8 8 THR CB C 8 65.965 65.965 67.517 -1.552 25269
33 1 . 1 1 8 8 THR H H 8 7.843 7.843 8.410 -0.567 25269
34 1 . 1 1 9 9 LEU N N 9 121.631 121.631 121.005 0.626 25269
35 1 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.300 -0.360 25269
36 1 . 1 1 9 9 LEU CA C 9 55.391 55.391 56.237 -0.846 25269
37 1 . 1 1 9 9 LEU CB C 9 38.675 38.675 42.657 -3.982 25269
38 1 . 1 1 9 9 LEU H H 9 7.750 7.750 7.953 -0.203 25269
39 1 . 1 1 10 10 ALA N N 10 120.229 120.229 119.092 1.137 25269
40 1 . 1 1 10 10 ALA HA H 10 4.005 4.005 3.910 0.095 25269
41 1 . 1 1 10 10 ALA CA C 10 51.634 51.634 52.796 -1.162 25269
42 1 . 1 1 10 10 ALA CB C 10 15.558 15.558 17.346 -1.788 25269
43 1 . 1 1 10 10 ALA H H 10 7.592 7.592 8.039 -0.447 25269
44 1 . 1 1 11 11 MET N N 11 114.827 114.827 115.082 -0.255 25269
45 1 . 1 1 11 11 MET HA H 11 3.800 3.800 4.035 -0.235 25269
46 1 . 1 1 11 11 MET CA C 11 55.416 55.416 55.694 -0.278 25269
47 1 . 1 1 11 11 MET CB C 11 30.203 30.203 32.430 -2.227 25269
48 1 . 1 1 11 11 MET H H 11 7.788 7.788 8.116 -0.328 25269
49 1 . 1 1 12 12 CYS N N 12 117.096 117.096 118.223 -1.127 25269
50 1 . 1 1 12 12 CYS HA H 12 4.561 4.561 4.549 0.012 25269
51 1 . 1 1 12 12 CYS CA C 12 55.551 55.551 59.159 -3.608 25269
52 1 . 1 1 12 12 CYS CB C 12 39.733 39.733 28.086 11.647 25269
53 1 . 1 1 12 12 CYS H H 12 8.155 8.155 7.607 0.548 25269
54 1 . 1 1 13 13 GLY N N 13 108.467 108.467 111.449 -2.982 25269
55 1 . 1 1 13 13 GLY CA C 13 43.469 43.469 46.036 -2.567 25269
56 1 . 1 1 13 13 GLY H H 13 8.112 8.112 8.750 -0.638 25269
57 1 . 1 1 14 14 ALA N N 14 121.448 121.448 121.387 0.061 25269
58 1 . 1 1 14 14 ALA HA H 14 4.300 4.300 4.494 -0.194 25269
59 1 . 1 1 14 14 ALA CA C 14 49.463 49.463 51.368 -1.905 25269
60 1 . 1 1 14 14 ALA CB C 14 16.347 16.347 19.424 -3.077 25269
61 1 . 1 1 14 14 ALA H H 14 7.662 7.662 7.819 -0.158 25269
62 1 . 1 1 15 15 GLY N N 15 104.928 104.928 107.366 -2.438 25269
63 1 . 1 1 15 15 GLY CA C 15 42.731 42.731 46.452 -3.721 25269
64 1 . 1 1 15 15 GLY H H 15 7.695 7.695 8.362 -0.667 25269
65 1 . 1 1 16 16 TYR N N 16 118.658 118.658 119.209 -0.551 25269
66 1 . 1 1 16 16 TYR HA H 16 4.465 4.465 4.501 -0.036 25269
67 1 . 1 1 16 16 TYR CA C 16 55.219 55.219 59.383 -4.164 25269
68 1 . 1 1 16 16 TYR CB C 16 36.059 36.059 39.872 -3.813 25269
69 1 . 1 1 16 16 TYR H H 16 7.604 7.604 8.222 -0.618 25269
70 1 . 1 1 17 17 ASP N N 17 118.647 118.647 117.158 1.489 25269
71 1 . 1 1 17 17 ASP HA H 17 4.604 4.604 4.785 -0.181 25269
72 1 . 1 1 17 17 ASP CA C 17 50.298 50.298 53.360 -3.062 25269
73 1 . 1 1 17 17 ASP CB C 17 36.072 36.072 42.978 -6.906 25269
74 1 . 1 1 17 17 ASP H H 17 7.919 7.919 7.777 0.142 25269
75 1 . 1 1 18 18 SER N N 18 116.466 116.466 116.451 0.015 25269
76 1 . 1 1 18 18 SER HA H 18 4.272 4.272 4.494 -0.223 25269
77 1 . 1 1 18 18 SER CA C 18 55.383 55.383 58.187 -2.804 25269
78 1 . 1 1 18 18 SER CB C 18 67.330 67.330 61.762 5.568 25269
79 1 . 1 1 18 18 SER H H 18 8.039 8.039 8.528 -0.489 25269
80 1 . 1 1 19 19 GLY N N 19 111.185 111.185 110.456 0.729 25269
81 1 . 1 1 19 19 GLY CA C 19 44.274 44.274 46.132 -1.858 25269
82 1 . 1 1 19 19 GLY H H 19 8.331 8.331 8.010 0.321 25269
83 1 . 1 1 20 20 THR N N 20 116.439 116.439 114.185 2.254 25269
84 1 . 1 1 20 20 THR HA H 20 4.110 4.110 4.447 -0.336 25269
85 1 . 1 1 20 20 THR CA C 20 62.430 62.430 62.397 0.033 25269
86 1 . 1 1 20 20 THR CB C 20 65.863 65.863 70.236 -4.373 25269
87 1 . 1 1 20 20 THR H H 20 7.850 7.850 7.766 0.084 25269
88 1 . 1 1 21 21 CYS N N 21 119.701 119.701 124.891 -5.190 25269
89 1 . 1 1 21 21 CYS HA H 21 4.273 4.273 4.621 -0.348 25269
90 1 . 1 1 21 21 CYS CA C 21 55.364 55.364 58.053 -2.689 25269
91 1 . 1 1 21 21 CYS CB C 21 38.016 38.016 30.301 7.715 25269
92 1 . 1 1 21 21 CYS H H 21 8.037 8.037 8.882 -0.845 25269
93 1 . 1 1 22 22 ASP N N 22 119.085 119.085 118.812 0.273 25269
94 1 . 1 1 22 22 ASP HA H 22 4.452 4.452 4.565 -0.113 25269
95 1 . 1 1 22 22 ASP CA C 22 53.927 53.927 54.796 -0.869 25269
96 1 . 1 1 22 22 ASP CB C 22 35.083 35.083 40.845 -5.762 25269
97 1 . 1 1 22 22 ASP H H 22 8.447 8.447 8.268 0.179 25269
98 1 . 1 1 23 23 TYR N N 23 121.546 121.546 120.799 0.747 25269
99 1 . 1 1 23 23 TYR HA H 23 4.125 4.125 4.401 -0.276 25269
100 1 . 1 1 23 23 TYR CA C 23 58.305 58.305 61.022 -2.717 25269
101 1 . 1 1 23 23 TYR CB C 23 35.723 35.723 37.969 -2.246 25269
102 1 . 1 1 23 23 TYR H H 23 8.037 8.037 7.912 0.125 25269
103 1 . 1 1 24 24 MET N N 24 120.054 120.054 116.452 3.602 25269
104 1 . 1 1 24 24 MET HA H 24 4.123 4.123 4.298 -0.175 25269
105 1 . 1 1 24 24 MET CA C 24 56.163 56.163 58.088 -1.925 25269
106 1 . 1 1 24 24 MET CB C 24 28.747 28.747 30.578 -1.831 25269
107 1 . 1 1 24 24 MET H H 24 8.459 8.459 8.061 0.398 25269
108 1 . 1 1 25 25 TYR N N 25 120.358 120.358 119.488 0.870 25269
109 1 . 1 1 25 25 TYR HA H 25 4.124 4.124 4.289 -0.165 25269
110 1 . 1 1 25 25 TYR CA C 25 59.645 59.645 59.915 -0.270 25269
111 1 . 1 1 25 25 TYR CB C 25 35.510 35.510 37.742 -2.232 25269
112 1 . 1 1 25 25 TYR H H 25 8.909 8.909 7.509 1.400 25269
113 1 . 1 1 26 26 SER N N 26 112.447 112.447 112.746 -0.299 25269
114 1 . 1 1 26 26 SER HA H 26 4.124 4.124 4.513 -0.388 25269
115 1 . 1 1 26 26 SER CA C 26 58.949 58.949 58.309 0.640 25269
116 1 . 1 1 26 26 SER CB C 26 60.889 60.889 63.292 -2.402 25269
117 1 . 1 1 26 26 SER H H 26 8.039 8.039 7.502 0.537 25269
118 1 . 1 1 27 27 HIS N N 27 116.202 116.202 116.273 -0.071 25269
119 1 . 1 1 27 27 HIS HA H 27 4.224 4.224 4.382 -0.158 25269
120 1 . 1 1 27 27 HIS CA C 27 55.406 55.406 57.146 -1.740 25269
121 1 . 1 1 27 27 HIS CB C 27 25.552 25.552 27.510 -1.958 25269
122 1 . 1 1 27 27 HIS H H 27 7.790 7.790 8.047 -0.257 25269
123 1 . 1 1 28 28 CYS N N 28 115.699 115.699 116.316 -0.617 25269
124 1 . 1 1 28 28 CYS HA H 28 4.225 4.225 4.757 -0.532 25269
125 1 . 1 1 28 28 CYS CA C 28 55.394 55.394 59.689 -4.295 25269
126 1 . 1 1 28 28 CYS CB C 28 39.479 39.479 28.573 10.906 25269
127 1 . 1 1 28 28 CYS H H 28 8.096 8.096 8.086 0.010 25269
128 1 . 1 1 29 29 PHE N N 29 115.898 115.898 119.091 -3.193 25269
129 1 . 1 1 29 29 PHE HA H 29 4.598 4.598 4.898 -0.300 25269
130 1 . 1 1 29 29 PHE CA C 29 55.053 55.053 57.657 -2.604 25269
131 1 . 1 1 29 29 PHE CB C 29 37.470 37.470 40.701 -3.231 25269
132 1 . 1 1 29 29 PHE H H 29 7.682 7.682 7.814 -0.132 25269
133 1 . 1 1 30 30 GLY N N 30 107.941 107.941 107.938 0.003 25269
134 1 . 1 1 30 30 GLY CA C 30 42.894 42.894 46.473 -3.579 25269
135 1 . 1 1 30 30 GLY H H 30 7.577 7.577 8.774 -1.197 25269
136 1 . 1 1 31 31 VAL N N 31 115.625 115.625 112.960 2.665 25269
137 1 . 1 1 31 31 VAL HA H 31 4.048 4.048 4.221 -0.173 25269
138 1 . 1 1 31 31 VAL CA C 31 58.995 58.995 62.563 -3.568 25269
139 1 . 1 1 31 31 VAL CB C 31 30.343 30.343 32.194 -1.851 25269
140 1 . 1 1 31 31 VAL H H 31 7.584 7.584 7.988 -0.404 25269
141 1 . 1 1 32 32 LYS N N 32 123.707 123.707 120.081 3.626 25269
142 1 . 1 1 32 32 LYS HA H 32 4.196 4.196 3.954 0.242 25269
143 1 . 1 1 32 32 LYS CA C 32 53.280 53.280 56.259 -2.979 25269
144 1 . 1 1 32 32 LYS CB C 32 30.389 30.389 32.569 -2.180 25269
145 1 . 1 1 32 32 LYS H H 32 8.002 8.002 7.792 0.210 25269
146 1 . 1 1 33 33 HIS N N 33 119.228 119.228 118.714 0.514 25269
147 1 . 1 1 33 33 HIS HA H 33 4.618 4.618 4.661 -0.043 25269
148 1 . 1 1 33 33 HIS CA C 33 52.353 52.353 55.740 -3.387 25269
149 1 . 1 1 33 33 HIS CB C 33 26.559 26.559 31.261 -4.702 25269
150 1 . 1 1 33 33 HIS H H 33 8.205 8.205 8.342 -0.137 25269
151 1 . 1 1 34 34 SER N N 34 114.324 114.324 117.256 -2.932 25269
152 1 . 1 1 34 34 SER HA H 34 4.329 4.329 4.420 -0.091 25269
153 1 . 1 1 34 34 SER CA C 34 55.392 55.392 58.688 -3.296 25269
154 1 . 1 1 34 34 SER CB C 34 61.072 61.072 63.509 -2.437 25269
155 1 . 1 1 34 34 SER H H 34 7.814 7.814 8.507 -0.693 25269
156 1 . 1 1 35 35 SER N N 35 117.133 117.133 117.732 -0.599 25269
157 1 . 1 1 35 35 SER HA H 35 4.392 4.392 4.444 -0.052 25269
158 1 . 1 1 35 35 SER CA C 35 55.618 55.618 58.933 -3.315 25269
159 1 . 1 1 35 35 SER CB C 35 61.247 61.247 63.606 -2.359 25269
160 1 . 1 1 35 35 SER H H 35 8.185 8.185 8.378 -0.193 25269
161 1 . 1 1 36 36 GLY N N 36 107.839 107.839 109.505 -1.666 25269
162 1 . 1 1 36 36 GLY CA C 36 42.423 42.423 45.094 -2.671 25269
163 1 . 1 1 36 36 GLY H H 36 8.021 8.021 8.192 -0.171 25269
164 1 . 1 1 37 37 GLY N N 37 109.587 109.587 108.414 1.173 25269
165 1 . 1 1 37 37 GLY CA C 37 42.587 42.587 44.932 -2.345 25269
166 1 . 1 1 37 37 GLY H H 37 8.159 8.159 8.187 -0.028 25269
167 1 . 1 1 38 38 GLY N N 38 107.839 107.839 108.544 -0.705 25269
168 1 . 1 1 38 38 GLY CA C 38 42.423 42.423 45.147 -2.724 25269
169 1 . 1 1 38 38 GLY H H 38 8.047 8.047 8.532 -0.485 25269
170 1 . 1 1 39 39 GLY N N 39 107.993 107.993 108.726 -0.733 25269
171 1 . 1 1 39 39 GLY CA C 39 42.543 42.543 44.871 -2.328 25269
172 1 . 1 1 39 39 GLY H H 39 8.095 8.095 8.093 0.002 25269
173 1 . 1 1 40 40 SER N N 40 116.643 116.643 117.349 -0.706 25269
174 1 . 1 1 40 40 SER HA H 40 4.394 4.394 4.631 -0.237 25269
175 1 . 1 1 40 40 SER CA C 40 55.388 55.388 57.874 -2.486 25269
176 1 . 1 1 40 40 SER CB C 40 61.227 61.227 63.861 -2.634 25269
177 1 . 1 1 40 40 SER H H 40 8.079 8.079 8.388 -0.309 25269
178 1 . 1 1 41 41 TYR N N 41 120.646 120.646 123.761 -3.115 25269
179 1 . 1 1 41 41 TYR HA H 41 4.451 4.451 4.486 -0.035 25269
180 1 . 1 1 41 41 TYR CA C 41 55.125 55.125 58.787 -3.662 25269
181 1 . 1 1 41 41 TYR CB C 41 36.013 36.013 38.133 -2.120 25269
182 1 . 1 1 41 41 TYR H H 41 7.854 7.854 8.529 -0.675 25269
183 1 . 1 1 42 42 HIS N N 42 118.252 118.252 119.537 -1.285 25269
184 1 . 1 1 42 42 HIS HA H 42 4.607 4.607 4.276 0.331 25269
185 1 . 1 1 42 42 HIS CA C 42 51.920 51.920 56.067 -4.147 25269
186 1 . 1 1 42 42 HIS CB C 42 27.108 27.108 29.732 -2.624 25269
187 1 . 1 1 42 42 HIS H H 42 7.806 7.806 8.106 -0.300 25269
stop_
save_