data_19027
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19027
_Entry.PDB_ID 2M4Y
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 19027
_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 THR N N 2 119.701 119.701 119.131 0.570 19027
2 1 1 . 1 1 2 2 THR HA H 2 4.410 4.410 4.437 -0.027 19027
3 1 1 . 1 1 2 2 THR C C 2 171.369 171.369 173.188 -1.819 19027
4 1 1 . 1 1 2 2 THR CA C 2 61.966 61.966 62.429 -0.463 19027
5 1 1 . 1 1 2 2 THR CB C 2 71.197 71.197 69.647 1.550 19027
6 1 1 . 1 1 2 2 THR H H 2 9.154 9.154 8.506 0.648 19027
7 1 1 . 1 1 3 3 ALA N N 3 125.223 125.223 128.020 -2.797 19027
8 1 1 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.769 0.716 19027
9 1 1 . 1 1 3 3 ALA C C 3 174.550 174.550 175.207 -0.657 19027
10 1 1 . 1 1 3 3 ALA CA C 3 51.136 51.136 51.881 -0.745 19027
11 1 1 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.295 1.941 19027
12 1 1 . 1 1 3 3 ALA H H 3 8.067 8.067 8.073 -0.006 19027
13 1 1 . 1 1 4 4 TYR N N 4 119.327 119.327 123.891 -4.564 19027
14 1 1 . 1 1 4 4 TYR HA H 4 4.834 4.834 4.668 0.166 19027
15 1 1 . 1 1 4 4 TYR C C 4 174.331 174.331 174.421 -0.090 19027
16 1 1 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.526 0.266 19027
17 1 1 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.136 3.937 19027
18 1 1 . 1 1 4 4 TYR H H 4 9.008 9.008 8.643 0.365 19027
19 1 1 . 1 1 5 5 ARG N N 5 122.617 122.617 125.827 -3.210 19027
20 1 1 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.713 0.769 19027
21 1 1 . 1 1 5 5 ARG C C 5 174.456 174.456 174.094 0.362 19027
22 1 1 . 1 1 5 5 ARG CA C 5 54.571 54.571 54.980 -0.409 19027
23 1 1 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.458 4.020 19027
24 1 1 . 1 1 5 5 ARG H H 5 9.374 9.374 8.578 0.796 19027
25 1 1 . 1 1 6 6 CYS N N 6 131.493 131.493 125.488 6.005 19027
26 1 1 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.559 -1.253 19027
27 1 1 . 1 1 6 6 CYS CA C 6 57.218 57.218 55.265 1.953 19027
28 1 1 . 1 1 6 6 CYS CB C 6 32.612 32.612 28.865 3.747 19027
29 1 1 . 1 1 6 6 CYS H H 6 9.180 9.180 8.917 0.263 19027
30 1 1 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.492 -0.109 19027
31 1 1 . 1 1 7 7 PRO C C 7 177.281 177.281 176.100 1.181 19027
32 1 1 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.956 0.743 19027
33 1 1 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.767 1.371 19027
34 1 1 . 1 1 8 8 VAL N N 8 125.048 125.048 116.379 8.669 19027
35 1 1 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.791 0.074 19027
36 1 1 . 1 1 8 8 VAL C C 8 177.405 177.405 176.483 0.922 19027
37 1 1 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.101 2.123 19027
38 1 1 . 1 1 8 8 VAL CB C 8 33.281 33.281 30.982 2.299 19027
39 1 1 . 1 1 8 8 VAL H H 8 9.396 9.396 7.750 1.646 19027
40 1 1 . 1 1 9 9 CYS N N 9 121.339 121.339 113.623 7.716 19027
41 1 1 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.658 0.185 19027
42 1 1 . 1 1 9 9 CYS C C 9 176.232 176.232 173.630 2.602 19027
43 1 1 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.401 1.471 19027
44 1 1 . 1 1 9 9 CYS CB C 9 33.899 33.899 31.047 2.852 19027
45 1 1 . 1 1 9 9 CYS H H 9 8.536 8.536 7.487 1.049 19027
46 1 1 . 1 1 10 10 ASP N N 10 118.066 118.066 117.636 0.430 19027
47 1 1 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.742 -0.511 19027
48 1 1 . 1 1 10 10 ASP C C 10 175.398 175.398 174.972 0.426 19027
49 1 1 . 1 1 10 10 ASP CA C 10 58.005 58.005 52.968 5.037 19027
50 1 1 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.443 -1.123 19027
51 1 1 . 1 1 10 10 ASP H H 10 7.829 7.829 7.797 0.032 19027
52 1 1 . 1 1 11 11 TYR N N 11 127.926 127.926 118.821 9.105 19027
53 1 1 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.161 0.002 19027
54 1 1 . 1 1 11 11 TYR C C 11 174.865 174.865 175.967 -1.102 19027
55 1 1 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.997 2.642 19027
56 1 1 . 1 1 11 11 TYR CB C 11 40.242 40.242 38.879 1.363 19027
57 1 1 . 1 1 11 11 TYR H H 11 9.158 9.158 8.628 0.530 19027
58 1 1 . 1 1 12 12 THR N N 12 122.867 122.867 114.845 8.022 19027
59 1 1 . 1 1 12 12 THR HA H 12 5.097 5.097 4.478 0.619 19027
60 1 1 . 1 1 12 12 THR C C 12 172.419 172.419 172.843 -0.424 19027
61 1 1 . 1 1 12 12 THR CA C 12 61.689 61.689 61.024 0.665 19027
62 1 1 . 1 1 12 12 THR CB C 12 72.538 72.538 70.082 2.456 19027
63 1 1 . 1 1 12 12 THR H H 12 7.803 7.803 7.791 0.012 19027
64 1 1 . 1 1 13 13 TYR N N 13 128.551 128.551 125.713 2.838 19027
65 1 1 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.824 -0.326 19027
66 1 1 . 1 1 13 13 TYR C C 13 172.434 172.434 174.614 -2.180 19027
67 1 1 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.356 1.581 19027
68 1 1 . 1 1 13 13 TYR CB C 13 41.423 41.423 40.275 1.148 19027
69 1 1 . 1 1 13 13 TYR H H 13 9.633 9.633 8.320 1.313 19027
70 1 1 . 1 1 14 14 ASP N N 14 130.010 130.010 123.525 6.485 19027
71 1 1 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.652 0.120 19027
72 1 1 . 1 1 14 14 ASP C C 14 175.913 175.913 177.468 -1.555 19027
73 1 1 . 1 1 14 14 ASP CA C 14 52.819 52.819 54.039 -1.220 19027
74 1 1 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.311 2.572 19027
75 1 1 . 1 1 14 14 ASP H H 14 8.871 8.871 8.349 0.522 19027
76 1 1 . 1 1 15 15 GLU N N 15 124.543 124.543 125.033 -0.490 19027
77 1 1 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.118 -0.247 19027
78 1 1 . 1 1 15 15 GLU C C 15 177.377 177.377 178.066 -0.689 19027
79 1 1 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.679 0.172 19027
80 1 1 . 1 1 15 15 GLU CB C 15 33.567 33.567 30.187 3.380 19027
81 1 1 . 1 1 15 15 GLU H H 15 8.513 8.513 8.512 0.001 19027
82 1 1 . 1 1 16 16 GLY N N 16 101.955 101.955 104.165 -2.210 19027
83 1 1 . 1 1 16 16 GLY C C 16 175.805 175.805 175.166 0.639 19027
84 1 1 . 1 1 16 16 GLY CA C 16 47.481 47.481 44.661 2.820 19027
85 1 1 . 1 1 16 16 GLY H H 16 8.415 8.415 8.197 0.218 19027
86 1 1 . 1 1 17 17 LYS N N 17 118.967 118.967 121.567 -2.600 19027
87 1 1 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.182 0.061 19027
88 1 1 . 1 1 17 17 LYS C C 17 178.731 178.731 177.310 1.421 19027
89 1 1 . 1 1 17 17 LYS CA C 17 57.830 57.830 56.608 1.222 19027
90 1 1 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.095 2.283 19027
91 1 1 . 1 1 17 17 LYS H H 17 7.518 7.518 7.703 -0.185 19027
92 1 1 . 1 1 18 18 GLY N N 18 105.920 105.920 107.493 -1.573 19027
93 1 1 . 1 1 18 18 GLY C C 18 174.014 174.014 174.041 -0.027 19027
94 1 1 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.230 -0.034 19027
95 1 1 . 1 1 18 18 GLY H H 18 8.340 8.340 8.093 0.247 19027
96 1 1 . 1 1 19 19 ASP N N 19 115.186 115.186 122.534 -7.348 19027
97 1 1 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.899 0.100 19027
98 1 1 . 1 1 19 19 ASP CA C 19 53.849 53.849 51.442 2.407 19027
99 1 1 . 1 1 19 19 ASP CB C 19 42.778 42.778 41.757 1.021 19027
100 1 1 . 1 1 19 19 ASP H H 19 9.398 9.398 8.125 1.273 19027
101 1 1 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.455 -0.370 19027
102 1 1 . 1 1 20 20 PRO C C 20 179.781 179.781 178.341 1.440 19027
103 1 1 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.237 1.461 19027
104 1 1 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.112 1.041 19027
105 1 1 . 1 1 21 21 ARG N N 21 119.558 119.558 118.855 0.703 19027
106 1 1 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.171 -0.136 19027
107 1 1 . 1 1 21 21 ARG C C 21 178.035 178.035 177.216 0.819 19027
108 1 1 . 1 1 21 21 ARG CA C 21 60.027 60.027 57.983 2.044 19027
109 1 1 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.521 1.271 19027
110 1 1 . 1 1 21 21 ARG H H 21 8.130 8.130 8.198 -0.068 19027
111 1 1 . 1 1 22 22 GLU N N 22 115.743 115.743 118.487 -2.744 19027
112 1 1 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.370 -0.282 19027
113 1 1 . 1 1 22 22 GLU C C 22 175.223 175.223 175.900 -0.677 19027
114 1 1 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.320 0.286 19027
115 1 1 . 1 1 22 22 GLU CB C 22 32.615 32.615 29.462 3.153 19027
116 1 1 . 1 1 22 22 GLU H H 22 7.351 7.351 7.342 0.009 19027
117 1 1 . 1 1 23 23 GLY N N 23 104.201 104.201 106.812 -2.611 19027
118 1 1 . 1 1 23 23 GLY C C 23 173.653 173.653 174.016 -0.363 19027
119 1 1 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.450 0.700 19027
120 1 1 . 1 1 23 23 GLY H H 23 7.418 7.418 7.489 -0.071 19027
121 1 1 . 1 1 24 24 PHE N N 24 119.913 119.913 118.960 0.953 19027
122 1 1 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.896 0.452 19027
123 1 1 . 1 1 24 24 PHE CA C 24 52.426 52.426 53.952 -1.526 19027
124 1 1 . 1 1 24 24 PHE CB C 24 40.179 40.179 38.785 1.394 19027
125 1 1 . 1 1 24 24 PHE H H 24 7.332 7.332 7.141 0.191 19027
126 1 1 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.511 -0.131 19027
127 1 1 . 1 1 25 25 PRO C C 25 176.423 176.423 176.529 -0.106 19027
128 1 1 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.092 1.072 19027
129 1 1 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.395 1.378 19027
130 1 1 . 1 1 26 26 ALA N N 26 125.017 125.017 120.919 4.098 19027
131 1 1 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.937 -0.527 19027
132 1 1 . 1 1 26 26 ALA C C 26 177.828 177.828 179.003 -1.175 19027
133 1 1 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.569 1.785 19027
134 1 1 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.826 0.024 19027
135 1 1 . 1 1 26 26 ALA H H 26 8.807 8.807 8.185 0.622 19027
136 1 1 . 1 1 27 27 GLY N N 27 112.134 112.134 112.325 -0.191 19027
137 1 1 . 1 1 27 27 GLY C C 27 174.600 174.600 174.827 -0.227 19027
138 1 1 . 1 1 27 27 GLY CA C 27 46.388 46.388 45.093 1.295 19027
139 1 1 . 1 1 27 27 GLY H H 27 8.047 8.047 8.950 -0.903 19027
140 1 1 . 1 1 28 28 THR N N 28 117.918 117.918 120.839 -2.921 19027
141 1 1 . 1 1 28 28 THR HA H 28 3.864 3.864 4.095 -0.231 19027
142 1 1 . 1 1 28 28 THR C C 28 174.146 174.146 174.381 -0.235 19027
143 1 1 . 1 1 28 28 THR CA C 28 65.904 65.904 64.401 1.503 19027
144 1 1 . 1 1 28 28 THR CB C 28 68.895 68.895 68.556 0.339 19027
145 1 1 . 1 1 28 28 THR H H 28 7.629 7.629 7.820 -0.191 19027
146 1 1 . 1 1 29 29 ARG N N 29 129.298 129.298 127.080 2.218 19027
147 1 1 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.164 0.069 19027
148 1 1 . 1 1 29 29 ARG C C 29 177.469 177.469 178.001 -0.532 19027
149 1 1 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.345 0.725 19027
150 1 1 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.320 2.058 19027
151 1 1 . 1 1 29 29 ARG H H 29 8.621 8.621 8.325 0.296 19027
152 1 1 . 1 1 30 30 TRP N N 30 123.961 123.961 123.155 0.806 19027
153 1 1 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.213 -0.228 19027
154 1 1 . 1 1 30 30 TRP C C 30 178.407 178.407 176.748 1.659 19027
155 1 1 . 1 1 30 30 TRP CA C 30 60.243 60.243 59.690 0.553 19027
156 1 1 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.386 3.827 19027
157 1 1 . 1 1 30 30 TRP H H 30 10.310 10.310 8.766 1.544 19027
158 1 1 . 1 1 31 31 ASP N N 31 111.781 111.781 116.539 -4.758 19027
159 1 1 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.035 0.058 19027
160 1 1 . 1 1 31 31 ASP C C 31 176.435 176.435 176.955 -0.520 19027
161 1 1 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.441 0.615 19027
162 1 1 . 1 1 31 31 ASP CB C 31 40.739 40.739 38.786 1.953 19027
163 1 1 . 1 1 31 31 ASP H H 31 8.042 8.042 7.390 0.652 19027
164 1 1 . 1 1 32 32 GLN N N 32 117.006 117.006 117.460 -0.454 19027
165 1 1 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.027 -0.078 19027
166 1 1 . 1 1 32 32 GLN C C 32 175.655 175.655 177.062 -1.407 19027
167 1 1 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.720 -0.438 19027
168 1 1 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.883 1.984 19027
169 1 1 . 1 1 32 32 GLN H H 32 7.787 7.787 7.695 0.092 19027
170 1 1 . 1 1 33 33 ILE N N 33 125.130 125.130 121.211 3.919 19027
171 1 1 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.935 -0.629 19027
172 1 1 . 1 1 33 33 ILE CA C 33 59.158 59.158 60.212 -1.054 19027
173 1 1 . 1 1 33 33 ILE CB C 33 38.472 38.472 37.163 1.309 19027
174 1 1 . 1 1 33 33 ILE H H 33 6.746 6.746 7.087 -0.341 19027
175 1 1 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.563 -0.496 19027
176 1 1 . 1 1 34 34 PRO C C 34 176.375 176.375 177.008 -0.633 19027
177 1 1 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.681 1.638 19027
178 1 1 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.537 1.061 19027
179 1 1 . 1 1 35 35 ASP N N 35 119.176 119.176 122.761 -3.585 19027
180 1 1 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.456 -0.386 19027
181 1 1 . 1 1 35 35 ASP C C 35 175.841 175.841 177.004 -1.163 19027
182 1 1 . 1 1 35 35 ASP CA C 35 57.984 57.984 56.493 1.491 19027
183 1 1 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.643 1.020 19027
184 1 1 . 1 1 35 35 ASP H H 35 8.323 8.323 8.822 -0.499 19027
185 1 1 . 1 1 36 36 ASP N N 36 113.960 113.960 119.355 -5.395 19027
186 1 1 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.712 -0.228 19027
187 1 1 . 1 1 36 36 ASP C C 36 175.704 175.704 175.347 0.357 19027
188 1 1 . 1 1 36 36 ASP CA C 36 53.225 53.225 53.054 0.171 19027
189 1 1 . 1 1 36 36 ASP CB C 36 40.353 40.353 39.570 0.783 19027
190 1 1 . 1 1 36 36 ASP H H 36 8.035 8.035 8.344 -0.309 19027
191 1 1 . 1 1 37 37 TRP N N 37 123.373 123.373 120.739 2.634 19027
192 1 1 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.489 -0.314 19027
193 1 1 . 1 1 37 37 TRP C C 37 174.365 174.365 176.246 -1.881 19027
194 1 1 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.490 2.955 19027
195 1 1 . 1 1 37 37 TRP CB C 37 30.338 30.338 30.168 0.171 19027
196 1 1 . 1 1 37 37 TRP H H 37 7.524 7.524 7.578 -0.054 19027
197 1 1 . 1 1 38 38 CYS N N 38 122.179 122.179 124.446 -2.267 19027
198 1 1 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.529 0.024 19027
199 1 1 . 1 1 38 38 CYS C C 38 170.825 170.825 174.044 -3.219 19027
200 1 1 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.834 -2.364 19027
201 1 1 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.327 3.449 19027
202 1 1 . 1 1 38 38 CYS H H 38 6.987 6.987 7.913 -0.926 19027
203 1 1 . 1 1 39 39 CYS N N 39 122.613 122.613 124.526 -1.913 19027
204 1 1 . 1 1 39 39 CYS HA H 39 3.585 3.585 5.025 -1.440 19027
205 1 1 . 1 1 39 39 CYS CA C 39 58.215 58.215 55.942 2.273 19027
206 1 1 . 1 1 39 39 CYS CB C 39 32.590 32.590 31.072 1.518 19027
207 1 1 . 1 1 39 39 CYS H H 39 8.053 8.053 8.806 -0.753 19027
208 1 1 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.315 -0.326 19027
209 1 1 . 1 1 40 40 PRO C C 40 176.898 176.898 176.861 0.037 19027
210 1 1 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.317 -0.757 19027
211 1 1 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.197 1.327 19027
212 1 1 . 1 1 41 41 ASP N N 41 122.580 122.580 118.814 3.766 19027
213 1 1 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.636 0.037 19027
214 1 1 . 1 1 41 41 ASP C C 41 177.521 177.521 178.422 -0.901 19027
215 1 1 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.186 0.389 19027
216 1 1 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.390 1.559 19027
217 1 1 . 1 1 41 41 ASP H H 41 8.514 8.514 8.384 0.130 19027
218 1 1 . 1 1 42 42 CYS N N 42 120.989 120.989 117.801 3.188 19027
219 1 1 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.296 0.279 19027
220 1 1 . 1 1 42 42 CYS C C 42 176.608 176.608 175.726 0.882 19027
221 1 1 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.397 -0.695 19027
222 1 1 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.914 4.411 19027
223 1 1 . 1 1 42 42 CYS H H 42 8.489 8.489 8.065 0.424 19027
224 1 1 . 1 1 43 43 SER N N 43 114.015 114.015 113.931 0.084 19027
225 1 1 . 1 1 43 43 SER HA H 43 4.552 4.552 4.284 0.268 19027
226 1 1 . 1 1 43 43 SER C C 43 174.781 174.781 175.532 -0.751 19027
227 1 1 . 1 1 43 43 SER CA C 43 60.651 60.651 60.920 -0.269 19027
228 1 1 . 1 1 43 43 SER CB C 43 63.609 63.609 63.153 0.456 19027
229 1 1 . 1 1 43 43 SER H H 43 7.259 7.259 7.790 -0.531 19027
230 1 1 . 1 1 44 44 VAL N N 44 113.888 113.888 117.868 -3.980 19027
231 1 1 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.147 0.244 19027
232 1 1 . 1 1 44 44 VAL C C 44 176.216 176.216 175.327 0.889 19027
233 1 1 . 1 1 44 44 VAL CA C 44 63.184 63.184 62.754 0.430 19027
234 1 1 . 1 1 44 44 VAL CB C 44 33.595 33.595 33.225 0.370 19027
235 1 1 . 1 1 44 44 VAL H H 44 8.640 8.640 7.579 1.061 19027
236 1 1 . 1 1 45 45 ARG N N 45 119.350 119.350 121.041 -1.691 19027
237 1 1 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.503 0.223 19027
238 1 1 . 1 1 45 45 ARG C C 45 174.378 174.378 175.768 -1.390 19027
239 1 1 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.300 0.192 19027
240 1 1 . 1 1 45 45 ARG CB C 45 34.247 34.247 30.639 3.608 19027
241 1 1 . 1 1 45 45 ARG H H 45 6.674 6.674 7.351 -0.677 19027
242 1 1 . 1 1 46 46 GLU N N 46 122.707 122.707 124.358 -1.651 19027
243 1 1 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.153 0.642 19027
244 1 1 . 1 1 46 46 GLU C C 46 176.797 176.797 177.775 -0.978 19027
245 1 1 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.446 -1.627 19027
246 1 1 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.296 3.692 19027
247 1 1 . 1 1 46 46 GLU H H 46 9.287 9.287 8.779 0.508 19027
248 1 1 . 1 1 47 47 LYS N N 47 121.213 121.213 122.506 -1.293 19027
249 1 1 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.328 -0.695 19027
250 1 1 . 1 1 47 47 LYS C C 47 179.071 179.071 178.492 0.579 19027
251 1 1 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.091 2.657 19027
252 1 1 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.533 2.551 19027
253 1 1 . 1 1 47 47 LYS H H 47 8.229 8.229 8.729 -0.500 19027
254 1 1 . 1 1 48 48 VAL N N 48 112.335 112.335 117.591 -5.256 19027
255 1 1 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.863 0.225 19027
256 1 1 . 1 1 48 48 VAL C C 48 175.267 175.267 176.206 -0.939 19027
257 1 1 . 1 1 48 48 VAL CA C 48 65.023 65.023 63.417 1.606 19027
258 1 1 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.900 0.525 19027
259 1 1 . 1 1 48 48 VAL H H 48 7.813 7.813 7.985 -0.172 19027
260 1 1 . 1 1 49 49 ASP N N 49 118.790 118.790 118.855 -0.065 19027
261 1 1 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.485 0.394 19027
262 1 1 . 1 1 49 49 ASP C C 49 177.232 177.232 177.067 0.165 19027
263 1 1 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.569 0.331 19027
264 1 1 . 1 1 49 49 ASP CB C 49 44.292 44.292 40.874 3.418 19027
265 1 1 . 1 1 49 49 ASP H H 49 8.360 8.360 7.615 0.745 19027
266 1 1 . 1 1 50 50 PHE N N 50 121.477 121.477 118.387 3.090 19027
267 1 1 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.258 0.270 19027
268 1 1 . 1 1 50 50 PHE C C 50 176.351 176.351 175.949 0.402 19027
269 1 1 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.979 0.597 19027
270 1 1 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.465 1.909 19027
271 1 1 . 1 1 50 50 PHE H H 50 8.227 8.227 7.757 0.470 19027
272 1 1 . 1 1 51 51 GLU N N 51 120.869 120.869 120.775 0.094 19027
273 1 1 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.590 -0.007 19027
274 1 1 . 1 1 51 51 GLU C C 51 175.785 175.785 175.638 0.147 19027
275 1 1 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.566 0.098 19027
276 1 1 . 1 1 51 51 GLU CB C 51 33.082 33.082 31.841 1.241 19027
277 1 1 . 1 1 51 51 GLU H H 51 9.170 9.170 8.748 0.422 19027
278 1 1 . 1 1 52 52 ARG N N 52 126.629 126.629 126.833 -0.204 19027
279 1 1 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.287 -0.630 19027
280 1 1 . 1 1 52 52 ARG C C 52 176.531 176.531 176.336 0.195 19027
281 1 1 . 1 1 52 52 ARG CA C 52 57.361 57.361 56.460 0.901 19027
282 1 1 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.448 0.946 19027
283 1 1 . 1 1 52 52 ARG H H 52 8.810 8.810 8.515 0.295 19027
284 1 1 . 1 1 53 53 MET N N 53 127.146 127.146 124.078 3.068 19027
285 1 1 . 1 1 53 53 MET HA H 53 4.358 4.358 4.458 -0.100 19027
286 1 1 . 1 1 53 53 MET C C 53 176.545 176.545 176.802 -0.257 19027
287 1 1 . 1 1 53 53 MET CA C 53 56.209 56.209 54.989 1.220 19027
288 1 1 . 1 1 53 53 MET CB C 53 33.611 33.611 33.277 0.334 19027
289 1 1 . 1 1 53 53 MET H H 53 8.561 8.561 7.970 0.591 19027
290 1 1 . 1 1 54 54 GLY N N 54 109.727 109.727 109.000 0.727 19027
291 1 1 . 1 1 54 54 GLY C C 54 174.379 174.379 173.601 0.778 19027
292 1 1 . 1 1 54 54 GLY CA C 54 46.320 46.320 45.032 1.288 19027
293 1 1 . 1 1 54 54 GLY H H 54 8.286 8.286 8.232 0.054 19027
294 1 1 . 1 1 55 55 GLY N N 55 109.085 109.085 109.199 -0.114 19027
295 1 1 . 1 1 55 55 GLY C C 55 173.142 173.142 175.187 -2.045 19027
296 1 1 . 1 1 55 55 GLY CA C 55 46.222 46.222 44.343 1.879 19027
297 1 1 . 1 1 55 55 GLY H H 55 8.242 8.242 8.735 -0.493 19027
298 1 2 . 1 1 2 2 THR N N 2 119.701 119.701 118.445 1.256 19027
299 1 2 . 1 1 2 2 THR HA H 2 4.410 4.410 4.654 -0.244 19027
300 1 2 . 1 1 2 2 THR C C 2 171.369 171.369 173.402 -2.033 19027
301 1 2 . 1 1 2 2 THR CA C 2 61.966 61.966 62.459 -0.493 19027
302 1 2 . 1 1 2 2 THR CB C 2 71.197 71.197 69.938 1.259 19027
303 1 2 . 1 1 2 2 THR H H 2 9.154 9.154 8.590 0.564 19027
304 1 2 . 1 1 3 3 ALA N N 3 125.223 125.223 127.297 -2.074 19027
305 1 2 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.685 0.800 19027
306 1 2 . 1 1 3 3 ALA C C 3 174.550 174.550 174.542 0.008 19027
307 1 2 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.127 -0.991 19027
308 1 2 . 1 1 3 3 ALA CB C 3 23.236 23.236 20.965 2.271 19027
309 1 2 . 1 1 3 3 ALA H H 3 8.067 8.067 8.113 -0.046 19027
310 1 2 . 1 1 4 4 TYR N N 4 119.327 119.327 122.071 -2.744 19027
311 1 2 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.018 -0.184 19027
312 1 2 . 1 1 4 4 TYR C C 4 174.331 174.331 174.515 -0.184 19027
313 1 2 . 1 1 4 4 TYR CA C 4 57.792 57.792 56.871 0.921 19027
314 1 2 . 1 1 4 4 TYR CB C 4 44.073 44.073 42.066 2.007 19027
315 1 2 . 1 1 4 4 TYR H H 4 9.008 9.008 8.080 0.928 19027
316 1 2 . 1 1 5 5 ARG N N 5 122.617 122.617 122.391 0.226 19027
317 1 2 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.832 0.650 19027
318 1 2 . 1 1 5 5 ARG C C 5 174.456 174.456 174.150 0.306 19027
319 1 2 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.518 -0.947 19027
320 1 2 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.536 3.942 19027
321 1 2 . 1 1 5 5 ARG H H 5 9.374 9.374 8.187 1.187 19027
322 1 2 . 1 1 6 6 CYS N N 6 131.493 131.493 125.639 5.854 19027
323 1 2 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.795 -1.489 19027
324 1 2 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.596 0.622 19027
325 1 2 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.545 2.067 19027
326 1 2 . 1 1 6 6 CYS H H 6 9.180 9.180 9.158 0.022 19027
327 1 2 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.490 -0.107 19027
328 1 2 . 1 1 7 7 PRO C C 7 177.281 177.281 177.024 0.257 19027
329 1 2 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.699 1.000 19027
330 1 2 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.753 1.385 19027
331 1 2 . 1 1 8 8 VAL N N 8 125.048 125.048 115.193 9.855 19027
332 1 2 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.761 0.104 19027
333 1 2 . 1 1 8 8 VAL C C 8 177.405 177.405 176.112 1.293 19027
334 1 2 . 1 1 8 8 VAL CA C 8 66.224 66.224 63.677 2.547 19027
335 1 2 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.419 1.862 19027
336 1 2 . 1 1 8 8 VAL H H 8 9.396 9.396 7.755 1.641 19027
337 1 2 . 1 1 9 9 CYS N N 9 121.339 121.339 112.158 9.181 19027
338 1 2 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.740 0.103 19027
339 1 2 . 1 1 9 9 CYS C C 9 176.232 176.232 173.779 2.453 19027
340 1 2 . 1 1 9 9 CYS CA C 9 59.872 59.872 57.615 2.257 19027
341 1 2 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.855 3.043 19027
342 1 2 . 1 1 9 9 CYS H H 9 8.536 8.536 7.367 1.169 19027
343 1 2 . 1 1 10 10 ASP N N 10 118.066 118.066 118.409 -0.343 19027
344 1 2 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.796 -0.565 19027
345 1 2 . 1 1 10 10 ASP C C 10 175.398 175.398 175.274 0.124 19027
346 1 2 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.216 4.789 19027
347 1 2 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.689 -1.369 19027
348 1 2 . 1 1 10 10 ASP H H 10 7.829 7.829 7.622 0.207 19027
349 1 2 . 1 1 11 11 TYR N N 11 127.926 127.926 118.739 9.187 19027
350 1 2 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.253 -0.090 19027
351 1 2 . 1 1 11 11 TYR C C 11 174.865 174.865 176.064 -1.199 19027
352 1 2 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.889 2.749 19027
353 1 2 . 1 1 11 11 TYR CB C 11 40.242 40.242 38.959 1.283 19027
354 1 2 . 1 1 11 11 TYR H H 11 9.158 9.158 8.665 0.493 19027
355 1 2 . 1 1 12 12 THR N N 12 122.867 122.867 114.090 8.777 19027
356 1 2 . 1 1 12 12 THR HA H 12 5.097 5.097 4.718 0.379 19027
357 1 2 . 1 1 12 12 THR C C 12 172.419 172.419 173.081 -0.662 19027
358 1 2 . 1 1 12 12 THR CA C 12 61.689 61.689 61.296 0.393 19027
359 1 2 . 1 1 12 12 THR CB C 12 72.538 72.538 70.326 2.212 19027
360 1 2 . 1 1 12 12 THR H H 12 7.803 7.803 7.924 -0.121 19027
361 1 2 . 1 1 13 13 TYR N N 13 128.551 128.551 125.253 3.298 19027
362 1 2 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.883 -0.385 19027
363 1 2 . 1 1 13 13 TYR C C 13 172.434 172.434 174.598 -2.164 19027
364 1 2 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.342 1.595 19027
365 1 2 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.988 1.435 19027
366 1 2 . 1 1 13 13 TYR H H 13 9.633 9.633 9.049 0.584 19027
367 1 2 . 1 1 14 14 ASP N N 14 130.010 130.010 123.391 6.619 19027
368 1 2 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.988 -0.216 19027
369 1 2 . 1 1 14 14 ASP C C 14 175.913 175.913 177.367 -1.454 19027
370 1 2 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.970 -1.151 19027
371 1 2 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.320 2.563 19027
372 1 2 . 1 1 14 14 ASP H H 14 8.871 8.871 8.560 0.311 19027
373 1 2 . 1 1 15 15 GLU N N 15 124.543 124.543 126.508 -1.965 19027
374 1 2 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.035 -0.164 19027
375 1 2 . 1 1 15 15 GLU C C 15 177.377 177.377 179.051 -1.674 19027
376 1 2 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.763 0.088 19027
377 1 2 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.929 3.638 19027
378 1 2 . 1 1 15 15 GLU H H 15 8.513 8.513 8.724 -0.211 19027
379 1 2 . 1 1 16 16 GLY N N 16 101.955 101.955 105.743 -3.788 19027
380 1 2 . 1 1 16 16 GLY C C 16 175.805 175.805 175.346 0.459 19027
381 1 2 . 1 1 16 16 GLY CA C 16 47.481 47.481 46.483 0.998 19027
382 1 2 . 1 1 16 16 GLY H H 16 8.415 8.415 8.405 0.010 19027
383 1 2 . 1 1 17 17 LYS N N 17 118.967 118.967 120.772 -1.805 19027
384 1 2 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.302 -0.059 19027
385 1 2 . 1 1 17 17 LYS C C 17 178.731 178.731 177.334 1.397 19027
386 1 2 . 1 1 17 17 LYS CA C 17 57.830 57.830 57.144 0.686 19027
387 1 2 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.585 1.793 19027
388 1 2 . 1 1 17 17 LYS H H 17 7.518 7.518 7.648 -0.130 19027
389 1 2 . 1 1 18 18 GLY N N 18 105.920 105.920 106.788 -0.868 19027
390 1 2 . 1 1 18 18 GLY C C 18 174.014 174.014 173.299 0.715 19027
391 1 2 . 1 1 18 18 GLY CA C 18 45.196 45.196 44.706 0.490 19027
392 1 2 . 1 1 18 18 GLY H H 18 8.340 8.340 8.205 0.135 19027
393 1 2 . 1 1 19 19 ASP N N 19 115.186 115.186 120.075 -4.889 19027
394 1 2 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.416 0.583 19027
395 1 2 . 1 1 19 19 ASP CA C 19 53.849 53.849 53.955 -0.106 19027
396 1 2 . 1 1 19 19 ASP CB C 19 42.778 42.778 39.364 3.414 19027
397 1 2 . 1 1 19 19 ASP H H 19 9.398 9.398 8.593 0.805 19027
398 1 2 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.163 -0.078 19027
399 1 2 . 1 1 20 20 PRO C C 20 179.781 179.781 178.045 1.736 19027
400 1 2 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.218 1.480 19027
401 1 2 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.046 1.107 19027
402 1 2 . 1 1 21 21 ARG N N 21 119.558 119.558 119.210 0.348 19027
403 1 2 . 1 1 21 21 ARG HA H 21 4.035 4.035 3.952 0.083 19027
404 1 2 . 1 1 21 21 ARG C C 21 178.035 178.035 177.835 0.200 19027
405 1 2 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.676 1.351 19027
406 1 2 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.015 1.776 19027
407 1 2 . 1 1 21 21 ARG H H 21 8.130 8.130 7.991 0.139 19027
408 1 2 . 1 1 22 22 GLU N N 22 115.743 115.743 116.843 -1.100 19027
409 1 2 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.123 -0.035 19027
410 1 2 . 1 1 22 22 GLU C C 22 175.223 175.223 176.265 -1.042 19027
411 1 2 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.918 -0.312 19027
412 1 2 . 1 1 22 22 GLU CB C 22 32.615 32.615 29.725 2.890 19027
413 1 2 . 1 1 22 22 GLU H H 22 7.351 7.351 7.746 -0.395 19027
414 1 2 . 1 1 23 23 GLY N N 23 104.201 104.201 105.795 -1.594 19027
415 1 2 . 1 1 23 23 GLY C C 23 173.653 173.653 173.362 0.291 19027
416 1 2 . 1 1 23 23 GLY CA C 23 46.150 46.150 44.499 1.651 19027
417 1 2 . 1 1 23 23 GLY H H 23 7.418 7.418 7.468 -0.050 19027
418 1 2 . 1 1 24 24 PHE N N 24 119.913 119.913 119.399 0.514 19027
419 1 2 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.735 0.613 19027
420 1 2 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.511 -2.085 19027
421 1 2 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.664 0.515 19027
422 1 2 . 1 1 24 24 PHE H H 24 7.332 7.332 7.156 0.176 19027
423 1 2 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.405 -0.025 19027
424 1 2 . 1 1 25 25 PRO C C 25 176.423 176.423 176.359 0.064 19027
425 1 2 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.220 0.944 19027
426 1 2 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.230 1.543 19027
427 1 2 . 1 1 26 26 ALA N N 26 125.017 125.017 122.826 2.191 19027
428 1 2 . 1 1 26 26 ALA HA H 26 3.410 3.410 4.216 -0.806 19027
429 1 2 . 1 1 26 26 ALA C C 26 177.828 177.828 178.725 -0.897 19027
430 1 2 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.340 2.014 19027
431 1 2 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.558 0.292 19027
432 1 2 . 1 1 26 26 ALA H H 26 8.807 8.807 8.394 0.413 19027
433 1 2 . 1 1 27 27 GLY N N 27 112.134 112.134 112.775 -0.641 19027
434 1 2 . 1 1 27 27 GLY C C 27 174.600 174.600 174.918 -0.318 19027
435 1 2 . 1 1 27 27 GLY CA C 27 46.388 46.388 45.008 1.381 19027
436 1 2 . 1 1 27 27 GLY H H 27 8.047 8.047 8.420 -0.373 19027
437 1 2 . 1 1 28 28 THR N N 28 117.918 117.918 120.488 -2.570 19027
438 1 2 . 1 1 28 28 THR HA H 28 3.864 3.864 4.064 -0.200 19027
439 1 2 . 1 1 28 28 THR C C 28 174.146 174.146 174.347 -0.201 19027
440 1 2 . 1 1 28 28 THR CA C 28 65.904 65.904 63.730 2.174 19027
441 1 2 . 1 1 28 28 THR CB C 28 68.895 68.895 68.364 0.531 19027
442 1 2 . 1 1 28 28 THR H H 28 7.629 7.629 8.026 -0.397 19027
443 1 2 . 1 1 29 29 ARG N N 29 129.298 129.298 126.091 3.207 19027
444 1 2 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.556 -0.323 19027
445 1 2 . 1 1 29 29 ARG C C 29 177.469 177.469 177.623 -0.154 19027
446 1 2 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.272 0.798 19027
447 1 2 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.024 2.353 19027
448 1 2 . 1 1 29 29 ARG H H 29 8.621 8.621 8.393 0.228 19027
449 1 2 . 1 1 30 30 TRP N N 30 123.961 123.961 125.450 -1.489 19027
450 1 2 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.007 -0.022 19027
451 1 2 . 1 1 30 30 TRP C C 30 178.407 178.407 177.463 0.944 19027
452 1 2 . 1 1 30 30 TRP CA C 30 60.243 60.243 61.715 -1.472 19027
453 1 2 . 1 1 30 30 TRP CB C 30 32.213 32.213 29.289 2.924 19027
454 1 2 . 1 1 30 30 TRP H H 30 10.310 10.310 8.670 1.640 19027
455 1 2 . 1 1 31 31 ASP N N 31 111.781 111.781 116.140 -4.359 19027
456 1 2 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.257 -0.164 19027
457 1 2 . 1 1 31 31 ASP C C 31 176.435 176.435 177.204 -0.769 19027
458 1 2 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.560 0.496 19027
459 1 2 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.645 1.094 19027
460 1 2 . 1 1 31 31 ASP H H 31 8.042 8.042 8.501 -0.459 19027
461 1 2 . 1 1 32 32 GLN N N 32 117.006 117.006 117.857 -0.851 19027
462 1 2 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.125 -0.176 19027
463 1 2 . 1 1 32 32 GLN C C 32 175.655 175.655 176.476 -0.821 19027
464 1 2 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.396 -0.114 19027
465 1 2 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.901 1.966 19027
466 1 2 . 1 1 32 32 GLN H H 32 7.787 7.787 7.630 0.157 19027
467 1 2 . 1 1 33 33 ILE N N 33 125.130 125.130 122.155 2.975 19027
468 1 2 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.658 -0.352 19027
469 1 2 . 1 1 33 33 ILE CA C 33 59.158 59.158 59.977 -0.819 19027
470 1 2 . 1 1 33 33 ILE CB C 33 38.472 38.472 37.173 1.299 19027
471 1 2 . 1 1 33 33 ILE H H 33 6.746 6.746 6.956 -0.210 19027
472 1 2 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.515 -0.448 19027
473 1 2 . 1 1 34 34 PRO C C 34 176.375 176.375 176.697 -0.322 19027
474 1 2 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.602 1.717 19027
475 1 2 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.416 1.182 19027
476 1 2 . 1 1 35 35 ASP N N 35 119.176 119.176 122.398 -3.222 19027
477 1 2 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.528 -0.458 19027
478 1 2 . 1 1 35 35 ASP C C 35 175.841 175.841 176.751 -0.910 19027
479 1 2 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.760 2.224 19027
480 1 2 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.813 0.850 19027
481 1 2 . 1 1 35 35 ASP H H 35 8.323 8.323 8.701 -0.378 19027
482 1 2 . 1 1 36 36 ASP N N 36 113.960 113.960 118.244 -4.284 19027
483 1 2 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.630 -0.146 19027
484 1 2 . 1 1 36 36 ASP C C 36 175.704 175.704 176.699 -0.995 19027
485 1 2 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.575 -1.351 19027
486 1 2 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.728 -0.375 19027
487 1 2 . 1 1 36 36 ASP H H 36 8.035 8.035 8.279 -0.244 19027
488 1 2 . 1 1 37 37 TRP N N 37 123.373 123.373 121.688 1.685 19027
489 1 2 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.461 -0.286 19027
490 1 2 . 1 1 37 37 TRP C C 37 174.365 174.365 176.717 -2.352 19027
491 1 2 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.680 2.765 19027
492 1 2 . 1 1 37 37 TRP CB C 37 30.338 30.338 29.878 0.460 19027
493 1 2 . 1 1 37 37 TRP H H 37 7.524 7.524 7.747 -0.223 19027
494 1 2 . 1 1 38 38 CYS N N 38 122.179 122.179 124.818 -2.639 19027
495 1 2 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.609 -0.056 19027
496 1 2 . 1 1 38 38 CYS C C 38 170.825 170.825 174.148 -3.323 19027
497 1 2 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.743 -2.273 19027
498 1 2 . 1 1 38 38 CYS CB C 38 31.776 31.776 29.323 2.453 19027
499 1 2 . 1 1 38 38 CYS H H 38 6.987 6.987 8.164 -1.177 19027
500 1 2 . 1 1 39 39 CYS N N 39 122.613 122.613 119.835 2.778 19027
501 1 2 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.663 -1.079 19027
502 1 2 . 1 1 39 39 CYS CA C 39 58.215 58.215 57.173 1.042 19027
503 1 2 . 1 1 39 39 CYS CB C 39 32.590 32.590 29.403 3.187 19027
504 1 2 . 1 1 39 39 CYS H H 39 8.053 8.053 8.460 -0.407 19027
505 1 2 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.374 -0.385 19027
506 1 2 . 1 1 40 40 PRO C C 40 176.898 176.898 176.873 0.025 19027
507 1 2 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.336 -0.776 19027
508 1 2 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.367 1.157 19027
509 1 2 . 1 1 41 41 ASP N N 41 122.580 122.580 118.532 4.048 19027
510 1 2 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.638 0.035 19027
511 1 2 . 1 1 41 41 ASP C C 41 177.521 177.521 178.497 -0.976 19027
512 1 2 . 1 1 41 41 ASP CA C 41 56.575 56.575 57.083 -0.508 19027
513 1 2 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.115 1.834 19027
514 1 2 . 1 1 41 41 ASP H H 41 8.514 8.514 8.375 0.139 19027
515 1 2 . 1 1 42 42 CYS N N 42 120.989 120.989 117.706 3.283 19027
516 1 2 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.336 0.239 19027
517 1 2 . 1 1 42 42 CYS C C 42 176.608 176.608 175.564 1.044 19027
518 1 2 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.189 -0.487 19027
519 1 2 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.712 4.613 19027
520 1 2 . 1 1 42 42 CYS H H 42 8.489 8.489 8.018 0.471 19027
521 1 2 . 1 1 43 43 SER N N 43 114.015 114.015 112.916 1.099 19027
522 1 2 . 1 1 43 43 SER HA H 43 4.552 4.552 4.274 0.278 19027
523 1 2 . 1 1 43 43 SER C C 43 174.781 174.781 175.856 -1.075 19027
524 1 2 . 1 1 43 43 SER CA C 43 60.651 60.651 60.922 -0.271 19027
525 1 2 . 1 1 43 43 SER CB C 43 63.609 63.609 63.071 0.538 19027
526 1 2 . 1 1 43 43 SER H H 43 7.259 7.259 7.712 -0.453 19027
527 1 2 . 1 1 44 44 VAL N N 44 113.888 113.888 117.280 -3.392 19027
528 1 2 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.209 0.182 19027
529 1 2 . 1 1 44 44 VAL C C 44 176.216 176.216 174.881 1.335 19027
530 1 2 . 1 1 44 44 VAL CA C 44 63.184 63.184 62.443 0.741 19027
531 1 2 . 1 1 44 44 VAL CB C 44 33.595 33.595 33.144 0.451 19027
532 1 2 . 1 1 44 44 VAL H H 44 8.640 8.640 7.558 1.082 19027
533 1 2 . 1 1 45 45 ARG N N 45 119.350 119.350 121.136 -1.786 19027
534 1 2 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.530 0.196 19027
535 1 2 . 1 1 45 45 ARG C C 45 174.378 174.378 175.247 -0.869 19027
536 1 2 . 1 1 45 45 ARG CA C 45 54.492 54.492 53.492 1.000 19027
537 1 2 . 1 1 45 45 ARG CB C 45 34.247 34.247 30.490 3.757 19027
538 1 2 . 1 1 45 45 ARG H H 45 6.674 6.674 7.476 -0.802 19027
539 1 2 . 1 1 46 46 GLU N N 46 122.707 122.707 124.506 -1.799 19027
540 1 2 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.090 0.705 19027
541 1 2 . 1 1 46 46 GLU C C 46 176.797 176.797 178.024 -1.227 19027
542 1 2 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.586 -1.766 19027
543 1 2 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.553 3.435 19027
544 1 2 . 1 1 46 46 GLU H H 46 9.287 9.287 8.884 0.403 19027
545 1 2 . 1 1 47 47 LYS N N 47 121.213 121.213 123.447 -2.234 19027
546 1 2 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.290 -0.657 19027
547 1 2 . 1 1 47 47 LYS C C 47 179.071 179.071 178.079 0.992 19027
548 1 2 . 1 1 47 47 LYS CA C 47 61.748 61.748 58.288 3.459 19027
549 1 2 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.691 2.393 19027
550 1 2 . 1 1 47 47 LYS H H 47 8.229 8.229 8.695 -0.466 19027
551 1 2 . 1 1 48 48 VAL N N 48 112.335 112.335 118.846 -6.511 19027
552 1 2 . 1 1 48 48 VAL HA H 48 4.088 4.088 4.007 0.081 19027
553 1 2 . 1 1 48 48 VAL C C 48 175.267 175.267 176.043 -0.776 19027
554 1 2 . 1 1 48 48 VAL CA C 48 65.023 65.023 63.496 1.526 19027
555 1 2 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.246 1.179 19027
556 1 2 . 1 1 48 48 VAL H H 48 7.813 7.813 7.972 -0.159 19027
557 1 2 . 1 1 49 49 ASP N N 49 118.790 118.790 119.443 -0.653 19027
558 1 2 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.415 0.464 19027
559 1 2 . 1 1 49 49 ASP C C 49 177.232 177.232 176.765 0.467 19027
560 1 2 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.783 0.117 19027
561 1 2 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.024 3.268 19027
562 1 2 . 1 1 49 49 ASP H H 49 8.360 8.360 7.553 0.807 19027
563 1 2 . 1 1 50 50 PHE N N 50 121.477 121.477 119.265 2.212 19027
564 1 2 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.287 0.241 19027
565 1 2 . 1 1 50 50 PHE C C 50 176.351 176.351 175.363 0.988 19027
566 1 2 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.893 0.683 19027
567 1 2 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.257 2.116 19027
568 1 2 . 1 1 50 50 PHE H H 50 8.227 8.227 7.500 0.727 19027
569 1 2 . 1 1 51 51 GLU N N 51 120.869 120.869 123.892 -3.023 19027
570 1 2 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.736 -0.153 19027
571 1 2 . 1 1 51 51 GLU C C 51 175.785 175.785 175.726 0.059 19027
572 1 2 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.230 0.434 19027
573 1 2 . 1 1 51 51 GLU CB C 51 33.082 33.082 33.388 -0.306 19027
574 1 2 . 1 1 51 51 GLU H H 51 9.170 9.170 8.747 0.423 19027
575 1 2 . 1 1 52 52 ARG N N 52 126.629 126.629 122.060 4.569 19027
576 1 2 . 1 1 52 52 ARG HA H 52 3.657 3.657 3.617 0.040 19027
577 1 2 . 1 1 52 52 ARG C C 52 176.531 176.531 176.787 -0.256 19027
578 1 2 . 1 1 52 52 ARG CA C 52 57.361 57.361 56.323 1.038 19027
579 1 2 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.015 1.379 19027
580 1 2 . 1 1 52 52 ARG H H 52 8.810 8.810 8.470 0.340 19027
581 1 2 . 1 1 53 53 MET N N 53 127.146 127.146 121.757 5.389 19027
582 1 2 . 1 1 53 53 MET HA H 53 4.358 4.358 4.703 -0.345 19027
583 1 2 . 1 1 53 53 MET C C 53 176.545 176.545 174.794 1.751 19027
584 1 2 . 1 1 53 53 MET CA C 53 56.209 56.209 54.908 1.301 19027
585 1 2 . 1 1 53 53 MET CB C 53 33.611 33.611 32.131 1.480 19027
586 1 2 . 1 1 53 53 MET H H 53 8.561 8.561 8.188 0.373 19027
587 1 2 . 1 1 54 54 GLY N N 54 109.727 109.727 107.724 2.003 19027
588 1 2 . 1 1 54 54 GLY C C 54 174.379 174.379 174.080 0.299 19027
589 1 2 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.758 1.562 19027
590 1 2 . 1 1 54 54 GLY H H 54 8.286 8.286 7.561 0.725 19027
591 1 2 . 1 1 55 55 GLY N N 55 109.085 109.085 109.162 -0.077 19027
592 1 2 . 1 1 55 55 GLY C C 55 173.142 173.142 174.253 -1.111 19027
593 1 2 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.190 1.032 19027
594 1 2 . 1 1 55 55 GLY H H 55 8.242 8.242 8.085 0.157 19027
595 1 3 . 1 1 2 2 THR N N 2 119.701 119.701 118.254 1.447 19027
596 1 3 . 1 1 2 2 THR HA H 2 4.410 4.410 4.594 -0.184 19027
597 1 3 . 1 1 2 2 THR C C 2 171.369 171.369 172.703 -1.334 19027
598 1 3 . 1 1 2 2 THR CA C 2 61.966 61.966 62.194 -0.228 19027
599 1 3 . 1 1 2 2 THR CB C 2 71.197 71.197 70.076 1.121 19027
600 1 3 . 1 1 2 2 THR H H 2 9.154 9.154 8.710 0.444 19027
601 1 3 . 1 1 3 3 ALA N N 3 125.223 125.223 127.160 -1.937 19027
602 1 3 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.684 0.801 19027
603 1 3 . 1 1 3 3 ALA C C 3 174.550 174.550 174.972 -0.422 19027
604 1 3 . 1 1 3 3 ALA CA C 3 51.136 51.136 51.939 -0.803 19027
605 1 3 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.194 2.042 19027
606 1 3 . 1 1 3 3 ALA H H 3 8.067 8.067 7.991 0.076 19027
607 1 3 . 1 1 4 4 TYR N N 4 119.327 119.327 123.033 -3.706 19027
608 1 3 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.277 -0.443 19027
609 1 3 . 1 1 4 4 TYR C C 4 174.331 174.331 175.198 -0.867 19027
610 1 3 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.436 0.356 19027
611 1 3 . 1 1 4 4 TYR CB C 4 44.073 44.073 41.119 2.954 19027
612 1 3 . 1 1 4 4 TYR H H 4 9.008 9.008 8.454 0.554 19027
613 1 3 . 1 1 5 5 ARG N N 5 122.617 122.617 124.225 -1.608 19027
614 1 3 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.754 0.728 19027
615 1 3 . 1 1 5 5 ARG C C 5 174.456 174.456 174.030 0.426 19027
616 1 3 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.052 -0.481 19027
617 1 3 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.133 4.345 19027
618 1 3 . 1 1 5 5 ARG H H 5 9.374 9.374 8.149 1.225 19027
619 1 3 . 1 1 6 6 CYS N N 6 131.493 131.493 124.956 6.537 19027
620 1 3 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.629 -1.323 19027
621 1 3 . 1 1 6 6 CYS CA C 6 57.218 57.218 55.877 1.341 19027
622 1 3 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.037 2.575 19027
623 1 3 . 1 1 6 6 CYS H H 6 9.180 9.180 8.917 0.263 19027
624 1 3 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.701 -0.318 19027
625 1 3 . 1 1 7 7 PRO C C 7 177.281 177.281 176.273 1.008 19027
626 1 3 . 1 1 7 7 PRO CA C 7 64.699 64.699 64.066 0.633 19027
627 1 3 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.978 1.160 19027
628 1 3 . 1 1 8 8 VAL N N 8 125.048 125.048 114.944 10.104 19027
629 1 3 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.790 0.075 19027
630 1 3 . 1 1 8 8 VAL C C 8 177.405 177.405 176.487 0.918 19027
631 1 3 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.147 2.077 19027
632 1 3 . 1 1 8 8 VAL CB C 8 33.281 33.281 30.857 2.424 19027
633 1 3 . 1 1 8 8 VAL H H 8 9.396 9.396 7.979 1.417 19027
634 1 3 . 1 1 9 9 CYS N N 9 121.339 121.339 114.111 7.228 19027
635 1 3 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.815 0.028 19027
636 1 3 . 1 1 9 9 CYS C C 9 176.232 176.232 173.600 2.632 19027
637 1 3 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.573 1.299 19027
638 1 3 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.993 2.906 19027
639 1 3 . 1 1 9 9 CYS H H 9 8.536 8.536 7.335 1.201 19027
640 1 3 . 1 1 10 10 ASP N N 10 118.066 118.066 117.158 0.908 19027
641 1 3 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.830 -0.599 19027
642 1 3 . 1 1 10 10 ASP C C 10 175.398 175.398 175.352 0.046 19027
643 1 3 . 1 1 10 10 ASP CA C 10 58.005 58.005 52.943 5.062 19027
644 1 3 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.422 -1.102 19027
645 1 3 . 1 1 10 10 ASP H H 10 7.829 7.829 7.878 -0.049 19027
646 1 3 . 1 1 11 11 TYR N N 11 127.926 127.926 118.911 9.015 19027
647 1 3 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.400 -0.237 19027
648 1 3 . 1 1 11 11 TYR C C 11 174.865 174.865 176.363 -1.498 19027
649 1 3 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.917 2.722 19027
650 1 3 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.088 1.154 19027
651 1 3 . 1 1 11 11 TYR H H 11 9.158 9.158 8.599 0.559 19027
652 1 3 . 1 1 12 12 THR N N 12 122.867 122.867 114.381 8.486 19027
653 1 3 . 1 1 12 12 THR HA H 12 5.097 5.097 4.510 0.587 19027
654 1 3 . 1 1 12 12 THR C C 12 172.419 172.419 173.535 -1.116 19027
655 1 3 . 1 1 12 12 THR CA C 12 61.689 61.689 61.403 0.286 19027
656 1 3 . 1 1 12 12 THR CB C 12 72.538 72.538 70.289 2.249 19027
657 1 3 . 1 1 12 12 THR H H 12 7.803 7.803 8.431 -0.628 19027
658 1 3 . 1 1 13 13 TYR N N 13 128.551 128.551 122.245 6.306 19027
659 1 3 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.871 -0.373 19027
660 1 3 . 1 1 13 13 TYR C C 13 172.434 172.434 174.148 -1.714 19027
661 1 3 . 1 1 13 13 TYR CA C 13 58.937 58.937 56.278 2.659 19027
662 1 3 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.285 2.138 19027
663 1 3 . 1 1 13 13 TYR H H 13 9.633 9.633 7.968 1.665 19027
664 1 3 . 1 1 14 14 ASP N N 14 130.010 130.010 123.867 6.143 19027
665 1 3 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.688 0.084 19027
666 1 3 . 1 1 14 14 ASP C C 14 175.913 175.913 177.787 -1.874 19027
667 1 3 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.447 -0.628 19027
668 1 3 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.776 2.107 19027
669 1 3 . 1 1 14 14 ASP H H 14 8.871 8.871 8.403 0.468 19027
670 1 3 . 1 1 15 15 GLU N N 15 124.543 124.543 127.078 -2.535 19027
671 1 3 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.229 -0.358 19027
672 1 3 . 1 1 15 15 GLU C C 15 177.377 177.377 177.592 -0.215 19027
673 1 3 . 1 1 15 15 GLU CA C 15 59.851 59.851 58.346 1.505 19027
674 1 3 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.345 4.222 19027
675 1 3 . 1 1 15 15 GLU H H 15 8.513 8.513 8.827 -0.314 19027
676 1 3 . 1 1 16 16 GLY N N 16 101.955 101.955 104.913 -2.958 19027
677 1 3 . 1 1 16 16 GLY C C 16 175.805 175.805 175.150 0.655 19027
678 1 3 . 1 1 16 16 GLY CA C 16 47.481 47.481 45.351 2.130 19027
679 1 3 . 1 1 16 16 GLY H H 16 8.415 8.415 8.475 -0.060 19027
680 1 3 . 1 1 17 17 LYS N N 17 118.967 118.967 122.221 -3.254 19027
681 1 3 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.367 -0.124 19027
682 1 3 . 1 1 17 17 LYS C C 17 178.731 178.731 176.990 1.741 19027
683 1 3 . 1 1 17 17 LYS CA C 17 57.830 57.830 55.495 2.335 19027
684 1 3 . 1 1 17 17 LYS CB C 17 35.378 35.378 34.807 0.571 19027
685 1 3 . 1 1 17 17 LYS H H 17 7.518 7.518 7.796 -0.278 19027
686 1 3 . 1 1 18 18 GLY N N 18 105.920 105.920 109.505 -3.585 19027
687 1 3 . 1 1 18 18 GLY C C 18 174.014 174.014 174.520 -0.506 19027
688 1 3 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.139 0.057 19027
689 1 3 . 1 1 18 18 GLY H H 18 8.340 8.340 7.901 0.439 19027
690 1 3 . 1 1 19 19 ASP N N 19 115.186 115.186 125.363 -10.177 19027
691 1 3 . 1 1 19 19 ASP HA H 19 4.999 4.999 5.066 -0.067 19027
692 1 3 . 1 1 19 19 ASP CA C 19 53.849 53.849 51.335 2.514 19027
693 1 3 . 1 1 19 19 ASP CB C 19 42.778 42.778 42.068 0.710 19027
694 1 3 . 1 1 19 19 ASP H H 19 9.398 9.398 8.042 1.356 19027
695 1 3 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.514 -0.429 19027
696 1 3 . 1 1 20 20 PRO C C 20 179.781 179.781 178.241 1.540 19027
697 1 3 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.336 1.362 19027
698 1 3 . 1 1 20 20 PRO CB C 20 33.153 33.153 31.980 1.173 19027
699 1 3 . 1 1 21 21 ARG N N 21 119.558 119.558 119.111 0.447 19027
700 1 3 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.158 -0.123 19027
701 1 3 . 1 1 21 21 ARG C C 21 178.035 178.035 177.048 0.987 19027
702 1 3 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.234 1.792 19027
703 1 3 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.502 1.290 19027
704 1 3 . 1 1 21 21 ARG H H 21 8.130 8.130 8.367 -0.237 19027
705 1 3 . 1 1 22 22 GLU N N 22 115.743 115.743 118.110 -2.367 19027
706 1 3 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.361 -0.273 19027
707 1 3 . 1 1 22 22 GLU C C 22 175.223 175.223 176.070 -0.847 19027
708 1 3 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.340 0.265 19027
709 1 3 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.913 3.702 19027
710 1 3 . 1 1 22 22 GLU H H 22 7.351 7.351 7.440 -0.089 19027
711 1 3 . 1 1 23 23 GLY N N 23 104.201 104.201 107.628 -3.427 19027
712 1 3 . 1 1 23 23 GLY C C 23 173.653 173.653 173.283 0.370 19027
713 1 3 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.522 0.629 19027
714 1 3 . 1 1 23 23 GLY H H 23 7.418 7.418 7.595 -0.177 19027
715 1 3 . 1 1 24 24 PHE N N 24 119.913 119.913 118.645 1.268 19027
716 1 3 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.837 0.511 19027
717 1 3 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.137 -1.711 19027
718 1 3 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.231 0.948 19027
719 1 3 . 1 1 24 24 PHE H H 24 7.332 7.332 7.232 0.100 19027
720 1 3 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.526 -0.146 19027
721 1 3 . 1 1 25 25 PRO C C 25 176.423 176.423 176.489 -0.066 19027
722 1 3 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.429 0.735 19027
723 1 3 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.384 1.389 19027
724 1 3 . 1 1 26 26 ALA N N 26 125.017 125.017 122.238 2.779 19027
725 1 3 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.895 -0.485 19027
726 1 3 . 1 1 26 26 ALA C C 26 177.828 177.828 178.489 -0.661 19027
727 1 3 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.296 2.058 19027
728 1 3 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.858 -0.008 19027
729 1 3 . 1 1 26 26 ALA H H 26 8.807 8.807 8.327 0.480 19027
730 1 3 . 1 1 27 27 GLY N N 27 112.134 112.134 112.682 -0.548 19027
731 1 3 . 1 1 27 27 GLY C C 27 174.600 174.600 174.936 -0.336 19027
732 1 3 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.894 1.494 19027
733 1 3 . 1 1 27 27 GLY H H 27 8.047 8.047 8.874 -0.827 19027
734 1 3 . 1 1 28 28 THR N N 28 117.918 117.918 121.646 -3.728 19027
735 1 3 . 1 1 28 28 THR HA H 28 3.864 3.864 4.051 -0.187 19027
736 1 3 . 1 1 28 28 THR C C 28 174.146 174.146 174.014 0.132 19027
737 1 3 . 1 1 28 28 THR CA C 28 65.904 65.904 64.096 1.808 19027
738 1 3 . 1 1 28 28 THR CB C 28 68.895 68.895 68.696 0.199 19027
739 1 3 . 1 1 28 28 THR H H 28 7.629 7.629 7.895 -0.266 19027
740 1 3 . 1 1 29 29 ARG N N 29 129.298 129.298 127.088 2.210 19027
741 1 3 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.369 -0.136 19027
742 1 3 . 1 1 29 29 ARG C C 29 177.469 177.469 177.783 -0.314 19027
743 1 3 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.083 0.987 19027
744 1 3 . 1 1 29 29 ARG CB C 29 32.377 32.377 32.186 0.191 19027
745 1 3 . 1 1 29 29 ARG H H 29 8.621 8.621 8.216 0.405 19027
746 1 3 . 1 1 30 30 TRP N N 30 123.961 123.961 123.006 0.955 19027
747 1 3 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.203 -0.218 19027
748 1 3 . 1 1 30 30 TRP C C 30 178.407 178.407 176.760 1.647 19027
749 1 3 . 1 1 30 30 TRP CA C 30 60.243 60.243 58.985 1.258 19027
750 1 3 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.563 3.650 19027
751 1 3 . 1 1 30 30 TRP H H 30 10.310 10.310 8.761 1.549 19027
752 1 3 . 1 1 31 31 ASP N N 31 111.781 111.781 119.257 -7.476 19027
753 1 3 . 1 1 31 31 ASP HA H 31 4.093 4.093 3.984 0.109 19027
754 1 3 . 1 1 31 31 ASP C C 31 176.435 176.435 176.946 -0.511 19027
755 1 3 . 1 1 31 31 ASP CA C 31 56.056 56.056 56.046 0.010 19027
756 1 3 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.638 1.101 19027
757 1 3 . 1 1 31 31 ASP H H 31 8.042 8.042 7.360 0.682 19027
758 1 3 . 1 1 32 32 GLN N N 32 117.006 117.006 116.293 0.713 19027
759 1 3 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.040 -0.091 19027
760 1 3 . 1 1 32 32 GLN C C 32 175.655 175.655 176.941 -1.286 19027
761 1 3 . 1 1 32 32 GLN CA C 32 56.282 56.282 55.536 0.746 19027
762 1 3 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.660 2.207 19027
763 1 3 . 1 1 32 32 GLN H H 32 7.787 7.787 7.629 0.158 19027
764 1 3 . 1 1 33 33 ILE N N 33 125.130 125.130 121.698 3.432 19027
765 1 3 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.614 -0.308 19027
766 1 3 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.224 0.934 19027
767 1 3 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.630 1.841 19027
768 1 3 . 1 1 33 33 ILE H H 33 6.746 6.746 7.114 -0.368 19027
769 1 3 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.536 -0.469 19027
770 1 3 . 1 1 34 34 PRO C C 34 176.375 176.375 177.588 -1.213 19027
771 1 3 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.552 1.767 19027
772 1 3 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.511 1.087 19027
773 1 3 . 1 1 35 35 ASP N N 35 119.176 119.176 122.820 -3.644 19027
774 1 3 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.479 -0.409 19027
775 1 3 . 1 1 35 35 ASP C C 35 175.841 175.841 176.407 -0.566 19027
776 1 3 . 1 1 35 35 ASP CA C 35 57.984 57.984 56.229 1.755 19027
777 1 3 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.681 0.982 19027
778 1 3 . 1 1 35 35 ASP H H 35 8.323 8.323 8.787 -0.464 19027
779 1 3 . 1 1 36 36 ASP N N 36 113.960 113.960 118.137 -4.177 19027
780 1 3 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.638 -0.154 19027
781 1 3 . 1 1 36 36 ASP C C 36 175.704 175.704 176.483 -0.779 19027
782 1 3 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.111 -0.886 19027
783 1 3 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.696 -0.343 19027
784 1 3 . 1 1 36 36 ASP H H 36 8.035 8.035 8.227 -0.192 19027
785 1 3 . 1 1 37 37 TRP N N 37 123.373 123.373 123.162 0.211 19027
786 1 3 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.440 -0.265 19027
787 1 3 . 1 1 37 37 TRP C C 37 174.365 174.365 176.584 -2.219 19027
788 1 3 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.335 3.110 19027
789 1 3 . 1 1 37 37 TRP CB C 37 30.338 30.338 30.056 0.282 19027
790 1 3 . 1 1 37 37 TRP H H 37 7.524 7.524 7.802 -0.278 19027
791 1 3 . 1 1 38 38 CYS N N 38 122.179 122.179 124.383 -2.204 19027
792 1 3 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.783 -0.230 19027
793 1 3 . 1 1 38 38 CYS C C 38 170.825 170.825 174.054 -3.229 19027
794 1 3 . 1 1 38 38 CYS CA C 38 56.470 56.470 57.208 -0.738 19027
795 1 3 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.851 2.925 19027
796 1 3 . 1 1 38 38 CYS H H 38 6.987 6.987 8.104 -1.117 19027
797 1 3 . 1 1 39 39 CYS N N 39 122.613 122.613 124.086 -1.473 19027
798 1 3 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.910 -1.325 19027
799 1 3 . 1 1 39 39 CYS CA C 39 58.215 58.215 56.299 1.916 19027
800 1 3 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.471 2.119 19027
801 1 3 . 1 1 39 39 CYS H H 39 8.053 8.053 8.877 -0.824 19027
802 1 3 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.357 -0.368 19027
803 1 3 . 1 1 40 40 PRO C C 40 176.898 176.898 177.030 -0.132 19027
804 1 3 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.307 -0.747 19027
805 1 3 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.216 1.308 19027
806 1 3 . 1 1 41 41 ASP N N 41 122.580 122.580 118.175 4.405 19027
807 1 3 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.646 0.027 19027
808 1 3 . 1 1 41 41 ASP C C 41 177.521 177.521 178.496 -0.975 19027
809 1 3 . 1 1 41 41 ASP CA C 41 56.575 56.575 57.196 -0.621 19027
810 1 3 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.280 1.669 19027
811 1 3 . 1 1 41 41 ASP H H 41 8.514 8.514 8.300 0.214 19027
812 1 3 . 1 1 42 42 CYS N N 42 120.989 120.989 119.095 1.894 19027
813 1 3 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.183 0.392 19027
814 1 3 . 1 1 42 42 CYS C C 42 176.608 176.608 176.996 -0.388 19027
815 1 3 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.865 -1.163 19027
816 1 3 . 1 1 42 42 CYS CB C 42 32.325 32.325 26.651 5.674 19027
817 1 3 . 1 1 42 42 CYS H H 42 8.489 8.489 8.216 0.273 19027
818 1 3 . 1 1 43 43 SER N N 43 114.015 114.015 116.959 -2.944 19027
819 1 3 . 1 1 43 43 SER HA H 43 4.552 4.552 4.281 0.271 19027
820 1 3 . 1 1 43 43 SER C C 43 174.781 174.781 175.559 -0.778 19027
821 1 3 . 1 1 43 43 SER CA C 43 60.651 60.651 61.122 -0.471 19027
822 1 3 . 1 1 43 43 SER CB C 43 63.609 63.609 63.014 0.595 19027
823 1 3 . 1 1 43 43 SER H H 43 7.259 7.259 8.081 -0.822 19027
824 1 3 . 1 1 44 44 VAL N N 44 113.888 113.888 112.450 1.438 19027
825 1 3 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.412 -0.021 19027
826 1 3 . 1 1 44 44 VAL C C 44 176.216 176.216 174.688 1.528 19027
827 1 3 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.111 2.073 19027
828 1 3 . 1 1 44 44 VAL CB C 44 33.595 33.595 31.885 1.710 19027
829 1 3 . 1 1 44 44 VAL H H 44 8.640 8.640 7.592 1.048 19027
830 1 3 . 1 1 45 45 ARG N N 45 119.350 119.350 121.624 -2.274 19027
831 1 3 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.554 0.172 19027
832 1 3 . 1 1 45 45 ARG C C 45 174.378 174.378 175.153 -0.775 19027
833 1 3 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.427 0.065 19027
834 1 3 . 1 1 45 45 ARG CB C 45 34.247 34.247 32.595 1.652 19027
835 1 3 . 1 1 45 45 ARG H H 45 6.674 6.674 7.987 -1.313 19027
836 1 3 . 1 1 46 46 GLU N N 46 122.707 122.707 123.506 -0.799 19027
837 1 3 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.201 0.594 19027
838 1 3 . 1 1 46 46 GLU C C 46 176.797 176.797 178.018 -1.221 19027
839 1 3 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.397 -1.578 19027
840 1 3 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.231 3.757 19027
841 1 3 . 1 1 46 46 GLU H H 46 9.287 9.287 8.613 0.674 19027
842 1 3 . 1 1 47 47 LYS N N 47 121.213 121.213 124.541 -3.328 19027
843 1 3 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.173 -0.540 19027
844 1 3 . 1 1 47 47 LYS C C 47 179.071 179.071 178.841 0.230 19027
845 1 3 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.184 2.564 19027
846 1 3 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.466 2.618 19027
847 1 3 . 1 1 47 47 LYS H H 47 8.229 8.229 8.783 -0.554 19027
848 1 3 . 1 1 48 48 VAL N N 48 112.335 112.335 118.238 -5.903 19027
849 1 3 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.833 0.255 19027
850 1 3 . 1 1 48 48 VAL C C 48 175.267 175.267 176.177 -0.910 19027
851 1 3 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.423 0.600 19027
852 1 3 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.689 0.736 19027
853 1 3 . 1 1 48 48 VAL H H 48 7.813 7.813 7.919 -0.106 19027
854 1 3 . 1 1 49 49 ASP N N 49 118.790 118.790 118.826 -0.036 19027
855 1 3 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.399 0.480 19027
856 1 3 . 1 1 49 49 ASP C C 49 177.232 177.232 176.611 0.621 19027
857 1 3 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.741 0.159 19027
858 1 3 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.012 3.280 19027
859 1 3 . 1 1 49 49 ASP H H 49 8.360 8.360 7.697 0.662 19027
860 1 3 . 1 1 50 50 PHE N N 50 121.477 121.477 120.121 1.356 19027
861 1 3 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.293 0.235 19027
862 1 3 . 1 1 50 50 PHE C C 50 176.351 176.351 175.449 0.902 19027
863 1 3 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.606 0.970 19027
864 1 3 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.306 2.067 19027
865 1 3 . 1 1 50 50 PHE H H 50 8.227 8.227 7.639 0.588 19027
866 1 3 . 1 1 51 51 GLU N N 51 120.869 120.869 122.305 -1.436 19027
867 1 3 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.657 -0.074 19027
868 1 3 . 1 1 51 51 GLU C C 51 175.785 175.785 175.420 0.365 19027
869 1 3 . 1 1 51 51 GLU CA C 51 55.664 55.664 54.729 0.935 19027
870 1 3 . 1 1 51 51 GLU CB C 51 33.082 33.082 32.565 0.517 19027
871 1 3 . 1 1 51 51 GLU H H 51 9.170 9.170 8.329 0.841 19027
872 1 3 . 1 1 52 52 ARG N N 52 126.629 126.629 121.767 4.862 19027
873 1 3 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.700 -1.043 19027
874 1 3 . 1 1 52 52 ARG C C 52 176.531 176.531 176.490 0.041 19027
875 1 3 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.872 1.489 19027
876 1 3 . 1 1 52 52 ARG CB C 52 31.394 31.394 31.274 0.120 19027
877 1 3 . 1 1 52 52 ARG H H 52 8.810 8.810 8.568 0.242 19027
878 1 3 . 1 1 53 53 MET N N 53 127.146 127.146 125.270 1.876 19027
879 1 3 . 1 1 53 53 MET HA H 53 4.358 4.358 4.424 -0.066 19027
880 1 3 . 1 1 53 53 MET C C 53 176.545 176.545 176.849 -0.304 19027
881 1 3 . 1 1 53 53 MET CA C 53 56.209 56.209 55.275 0.934 19027
882 1 3 . 1 1 53 53 MET CB C 53 33.611 33.611 32.943 0.668 19027
883 1 3 . 1 1 53 53 MET H H 53 8.561 8.561 8.555 0.006 19027
884 1 3 . 1 1 54 54 GLY N N 54 109.727 109.727 108.194 1.533 19027
885 1 3 . 1 1 54 54 GLY C C 54 174.379 174.379 174.656 -0.277 19027
886 1 3 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.827 1.493 19027
887 1 3 . 1 1 54 54 GLY H H 54 8.286 8.286 8.004 0.282 19027
888 1 3 . 1 1 55 55 GLY N N 55 109.085 109.085 108.931 0.154 19027
889 1 3 . 1 1 55 55 GLY C C 55 173.142 173.142 174.841 -1.699 19027
890 1 3 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.381 0.841 19027
891 1 3 . 1 1 55 55 GLY H H 55 8.242 8.242 8.437 -0.195 19027
892 1 4 . 1 1 2 2 THR N N 2 119.701 119.701 118.895 0.806 19027
893 1 4 . 1 1 2 2 THR HA H 2 4.410 4.410 4.428 -0.018 19027
894 1 4 . 1 1 2 2 THR C C 2 171.369 171.369 173.247 -1.878 19027
895 1 4 . 1 1 2 2 THR CA C 2 61.966 61.966 62.218 -0.251 19027
896 1 4 . 1 1 2 2 THR CB C 2 71.197 71.197 69.573 1.624 19027
897 1 4 . 1 1 2 2 THR H H 2 9.154 9.154 8.401 0.753 19027
898 1 4 . 1 1 3 3 ALA N N 3 125.223 125.223 127.643 -2.420 19027
899 1 4 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.547 0.938 19027
900 1 4 . 1 1 3 3 ALA C C 3 174.550 174.550 174.894 -0.344 19027
901 1 4 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.075 -0.939 19027
902 1 4 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.051 2.185 19027
903 1 4 . 1 1 3 3 ALA H H 3 8.067 8.067 7.920 0.147 19027
904 1 4 . 1 1 4 4 TYR N N 4 119.327 119.327 123.702 -4.375 19027
905 1 4 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.354 -0.520 19027
906 1 4 . 1 1 4 4 TYR C C 4 174.331 174.331 175.151 -0.820 19027
907 1 4 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.329 0.463 19027
908 1 4 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.737 3.336 19027
909 1 4 . 1 1 4 4 TYR H H 4 9.008 9.008 8.449 0.559 19027
910 1 4 . 1 1 5 5 ARG N N 5 122.617 122.617 124.808 -2.191 19027
911 1 4 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.785 0.697 19027
912 1 4 . 1 1 5 5 ARG C C 5 174.456 174.456 174.617 -0.161 19027
913 1 4 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.780 -1.209 19027
914 1 4 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.973 3.505 19027
915 1 4 . 1 1 5 5 ARG H H 5 9.374 9.374 8.187 1.187 19027
916 1 4 . 1 1 6 6 CYS N N 6 131.493 131.493 125.996 5.497 19027
917 1 4 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.786 -1.480 19027
918 1 4 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.269 0.949 19027
919 1 4 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.106 2.506 19027
920 1 4 . 1 1 6 6 CYS H H 6 9.180 9.180 9.299 -0.119 19027
921 1 4 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.507 -0.124 19027
922 1 4 . 1 1 7 7 PRO C C 7 177.281 177.281 176.811 0.470 19027
923 1 4 . 1 1 7 7 PRO CA C 7 64.699 64.699 64.128 0.571 19027
924 1 4 . 1 1 7 7 PRO CB C 7 33.138 33.138 32.139 0.999 19027
925 1 4 . 1 1 8 8 VAL N N 8 125.048 125.048 116.009 9.039 19027
926 1 4 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.768 0.097 19027
927 1 4 . 1 1 8 8 VAL C C 8 177.405 177.405 176.224 1.181 19027
928 1 4 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.400 1.825 19027
929 1 4 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.379 1.902 19027
930 1 4 . 1 1 8 8 VAL H H 8 9.396 9.396 7.673 1.723 19027
931 1 4 . 1 1 9 9 CYS N N 9 121.339 121.339 114.070 7.269 19027
932 1 4 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.754 0.089 19027
933 1 4 . 1 1 9 9 CYS C C 9 176.232 176.232 173.828 2.404 19027
934 1 4 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.121 1.751 19027
935 1 4 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.650 3.249 19027
936 1 4 . 1 1 9 9 CYS H H 9 8.536 8.536 7.455 1.081 19027
937 1 4 . 1 1 10 10 ASP N N 10 118.066 118.066 117.699 0.367 19027
938 1 4 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.950 -0.719 19027
939 1 4 . 1 1 10 10 ASP C C 10 175.398 175.398 175.251 0.147 19027
940 1 4 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.145 4.860 19027
941 1 4 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.654 -1.334 19027
942 1 4 . 1 1 10 10 ASP H H 10 7.829 7.829 7.826 0.003 19027
943 1 4 . 1 1 11 11 TYR N N 11 127.926 127.926 119.554 8.372 19027
944 1 4 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.406 -0.243 19027
945 1 4 . 1 1 11 11 TYR C C 11 174.865 174.865 175.850 -0.985 19027
946 1 4 . 1 1 11 11 TYR CA C 11 62.639 62.639 60.398 2.241 19027
947 1 4 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.113 1.129 19027
948 1 4 . 1 1 11 11 TYR H H 11 9.158 9.158 9.051 0.107 19027
949 1 4 . 1 1 12 12 THR N N 12 122.867 122.867 115.240 7.627 19027
950 1 4 . 1 1 12 12 THR HA H 12 5.097 5.097 4.475 0.622 19027
951 1 4 . 1 1 12 12 THR C C 12 172.419 172.419 173.768 -1.349 19027
952 1 4 . 1 1 12 12 THR CA C 12 61.689 61.689 61.462 0.228 19027
953 1 4 . 1 1 12 12 THR CB C 12 72.538 72.538 70.308 2.230 19027
954 1 4 . 1 1 12 12 THR H H 12 7.803 7.803 8.214 -0.411 19027
955 1 4 . 1 1 13 13 TYR N N 13 128.551 128.551 124.417 4.134 19027
956 1 4 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.956 -0.458 19027
957 1 4 . 1 1 13 13 TYR C C 13 172.434 172.434 173.776 -1.342 19027
958 1 4 . 1 1 13 13 TYR CA C 13 58.937 58.937 56.082 2.855 19027
959 1 4 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.283 2.140 19027
960 1 4 . 1 1 13 13 TYR H H 13 9.633 9.633 7.985 1.648 19027
961 1 4 . 1 1 14 14 ASP N N 14 130.010 130.010 124.176 5.834 19027
962 1 4 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.584 0.188 19027
963 1 4 . 1 1 14 14 ASP C C 14 175.913 175.913 177.119 -1.206 19027
964 1 4 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.568 -0.749 19027
965 1 4 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.662 2.221 19027
966 1 4 . 1 1 14 14 ASP H H 14 8.871 8.871 8.211 0.660 19027
967 1 4 . 1 1 15 15 GLU N N 15 124.543 124.543 125.304 -0.761 19027
968 1 4 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.087 -0.216 19027
969 1 4 . 1 1 15 15 GLU C C 15 177.377 177.377 178.764 -1.387 19027
970 1 4 . 1 1 15 15 GLU CA C 15 59.851 59.851 60.151 -0.300 19027
971 1 4 . 1 1 15 15 GLU CB C 15 33.567 33.567 30.020 3.547 19027
972 1 4 . 1 1 15 15 GLU H H 15 8.513 8.513 8.798 -0.285 19027
973 1 4 . 1 1 16 16 GLY N N 16 101.955 101.955 106.019 -4.064 19027
974 1 4 . 1 1 16 16 GLY C C 16 175.805 175.805 175.931 -0.126 19027
975 1 4 . 1 1 16 16 GLY CA C 16 47.481 47.481 46.166 1.315 19027
976 1 4 . 1 1 16 16 GLY H H 16 8.415 8.415 7.982 0.433 19027
977 1 4 . 1 1 17 17 LYS N N 17 118.967 118.967 122.505 -3.538 19027
978 1 4 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.049 0.194 19027
979 1 4 . 1 1 17 17 LYS C C 17 178.731 178.731 177.369 1.362 19027
980 1 4 . 1 1 17 17 LYS CA C 17 57.830 57.830 56.831 0.999 19027
981 1 4 . 1 1 17 17 LYS CB C 17 35.378 35.378 32.885 2.493 19027
982 1 4 . 1 1 17 17 LYS H H 17 7.518 7.518 8.107 -0.589 19027
983 1 4 . 1 1 18 18 GLY N N 18 105.920 105.920 109.601 -3.681 19027
984 1 4 . 1 1 18 18 GLY C C 18 174.014 174.014 174.404 -0.390 19027
985 1 4 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.619 -0.423 19027
986 1 4 . 1 1 18 18 GLY H H 18 8.340 8.340 7.768 0.572 19027
987 1 4 . 1 1 19 19 ASP N N 19 115.186 115.186 124.481 -9.295 19027
988 1 4 . 1 1 19 19 ASP HA H 19 4.999 4.999 5.079 -0.080 19027
989 1 4 . 1 1 19 19 ASP CA C 19 53.849 53.849 51.289 2.560 19027
990 1 4 . 1 1 19 19 ASP CB C 19 42.778 42.778 41.824 0.954 19027
991 1 4 . 1 1 19 19 ASP H H 19 9.398 9.398 8.155 1.243 19027
992 1 4 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.379 -0.294 19027
993 1 4 . 1 1 20 20 PRO C C 20 179.781 179.781 178.033 1.748 19027
994 1 4 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.139 1.558 19027
995 1 4 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.117 1.036 19027
996 1 4 . 1 1 21 21 ARG N N 21 119.558 119.558 118.913 0.645 19027
997 1 4 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.190 -0.155 19027
998 1 4 . 1 1 21 21 ARG C C 21 178.035 178.035 176.795 1.240 19027
999 1 4 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.431 1.596 19027
1000 1 4 . 1 1 21 21 ARG CB C 21 30.792 30.792 28.938 1.854 19027
1001 1 4 . 1 1 21 21 ARG H H 21 8.130 8.130 8.443 -0.313 19027
1002 1 4 . 1 1 22 22 GLU N N 22 115.743 115.743 118.860 -3.117 19027
1003 1 4 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.309 -0.221 19027
1004 1 4 . 1 1 22 22 GLU C C 22 175.223 175.223 175.670 -0.447 19027
1005 1 4 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.534 0.072 19027
1006 1 4 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.777 3.838 19027
1007 1 4 . 1 1 22 22 GLU H H 22 7.351 7.351 7.582 -0.231 19027
1008 1 4 . 1 1 23 23 GLY N N 23 104.201 104.201 106.548 -2.347 19027
1009 1 4 . 1 1 23 23 GLY C C 23 173.653 173.653 173.697 -0.044 19027
1010 1 4 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.494 0.656 19027
1011 1 4 . 1 1 23 23 GLY H H 23 7.418 7.418 7.593 -0.175 19027
1012 1 4 . 1 1 24 24 PHE N N 24 119.913 119.913 118.949 0.964 19027
1013 1 4 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.822 0.526 19027
1014 1 4 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.098 -1.672 19027
1015 1 4 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.222 0.957 19027
1016 1 4 . 1 1 24 24 PHE H H 24 7.332 7.332 7.172 0.160 19027
1017 1 4 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.544 -0.164 19027
1018 1 4 . 1 1 25 25 PRO C C 25 176.423 176.423 176.406 0.017 19027
1019 1 4 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.093 1.071 19027
1020 1 4 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.421 1.352 19027
1021 1 4 . 1 1 26 26 ALA N N 26 125.017 125.017 121.027 3.990 19027
1022 1 4 . 1 1 26 26 ALA HA H 26 3.410 3.410 4.002 -0.592 19027
1023 1 4 . 1 1 26 26 ALA C C 26 177.828 177.828 178.761 -0.933 19027
1024 1 4 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.544 1.810 19027
1025 1 4 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.550 0.300 19027
1026 1 4 . 1 1 26 26 ALA H H 26 8.807 8.807 8.301 0.506 19027
1027 1 4 . 1 1 27 27 GLY N N 27 112.134 112.134 113.358 -1.224 19027
1028 1 4 . 1 1 27 27 GLY C C 27 174.600 174.600 174.681 -0.081 19027
1029 1 4 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.721 1.667 19027
1030 1 4 . 1 1 27 27 GLY H H 27 8.047 8.047 8.650 -0.603 19027
1031 1 4 . 1 1 28 28 THR N N 28 117.918 117.918 118.842 -0.924 19027
1032 1 4 . 1 1 28 28 THR HA H 28 3.864 3.864 4.028 -0.164 19027
1033 1 4 . 1 1 28 28 THR C C 28 174.146 174.146 174.110 0.036 19027
1034 1 4 . 1 1 28 28 THR CA C 28 65.904 65.904 64.365 1.539 19027
1035 1 4 . 1 1 28 28 THR CB C 28 68.895 68.895 69.385 -0.490 19027
1036 1 4 . 1 1 28 28 THR H H 28 7.629 7.629 7.808 -0.179 19027
1037 1 4 . 1 1 29 29 ARG N N 29 129.298 129.298 127.475 1.823 19027
1038 1 4 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.139 0.094 19027
1039 1 4 . 1 1 29 29 ARG C C 29 177.469 177.469 177.230 0.239 19027
1040 1 4 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.532 0.538 19027
1041 1 4 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.326 2.051 19027
1042 1 4 . 1 1 29 29 ARG H H 29 8.621 8.621 8.577 0.044 19027
1043 1 4 . 1 1 30 30 TRP N N 30 123.961 123.961 125.248 -1.287 19027
1044 1 4 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.007 -0.022 19027
1045 1 4 . 1 1 30 30 TRP C C 30 178.407 178.407 175.380 3.027 19027
1046 1 4 . 1 1 30 30 TRP CA C 30 60.243 60.243 58.606 1.637 19027
1047 1 4 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.528 3.685 19027
1048 1 4 . 1 1 30 30 TRP H H 30 10.310 10.310 8.626 1.684 19027
1049 1 4 . 1 1 31 31 ASP N N 31 111.781 111.781 115.311 -3.530 19027
1050 1 4 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.227 -0.134 19027
1051 1 4 . 1 1 31 31 ASP C C 31 176.435 176.435 177.044 -0.609 19027
1052 1 4 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.234 0.822 19027
1053 1 4 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.155 1.584 19027
1054 1 4 . 1 1 31 31 ASP H H 31 8.042 8.042 7.069 0.973 19027
1055 1 4 . 1 1 32 32 GLN N N 32 117.006 117.006 118.148 -1.142 19027
1056 1 4 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.080 -0.131 19027
1057 1 4 . 1 1 32 32 GLN C C 32 175.655 175.655 176.777 -1.122 19027
1058 1 4 . 1 1 32 32 GLN CA C 32 56.282 56.282 55.828 0.454 19027
1059 1 4 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.514 2.353 19027
1060 1 4 . 1 1 32 32 GLN H H 32 7.787 7.787 7.344 0.443 19027
1061 1 4 . 1 1 33 33 ILE N N 33 125.130 125.130 122.111 3.019 19027
1062 1 4 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.744 -0.438 19027
1063 1 4 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.788 0.370 19027
1064 1 4 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.454 2.018 19027
1065 1 4 . 1 1 33 33 ILE H H 33 6.746 6.746 7.167 -0.421 19027
1066 1 4 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.596 -0.529 19027
1067 1 4 . 1 1 34 34 PRO C C 34 176.375 176.375 177.596 -1.221 19027
1068 1 4 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.638 1.681 19027
1069 1 4 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.287 1.311 19027
1070 1 4 . 1 1 35 35 ASP N N 35 119.176 119.176 123.147 -3.971 19027
1071 1 4 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.443 -0.373 19027
1072 1 4 . 1 1 35 35 ASP C C 35 175.841 175.841 176.281 -0.440 19027
1073 1 4 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.488 2.496 19027
1074 1 4 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.229 1.434 19027
1075 1 4 . 1 1 35 35 ASP H H 35 8.323 8.323 8.831 -0.508 19027
1076 1 4 . 1 1 36 36 ASP N N 36 113.960 113.960 117.881 -3.921 19027
1077 1 4 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.610 -0.126 19027
1078 1 4 . 1 1 36 36 ASP C C 36 175.704 175.704 176.887 -1.183 19027
1079 1 4 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.838 -1.613 19027
1080 1 4 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.550 -0.197 19027
1081 1 4 . 1 1 36 36 ASP H H 36 8.035 8.035 8.191 -0.156 19027
1082 1 4 . 1 1 37 37 TRP N N 37 123.373 123.373 122.590 0.783 19027
1083 1 4 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.460 -0.285 19027
1084 1 4 . 1 1 37 37 TRP C C 37 174.365 174.365 176.636 -2.271 19027
1085 1 4 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.920 2.525 19027
1086 1 4 . 1 1 37 37 TRP CB C 37 30.338 30.338 29.913 0.425 19027
1087 1 4 . 1 1 37 37 TRP H H 37 7.524 7.524 7.760 -0.236 19027
1088 1 4 . 1 1 38 38 CYS N N 38 122.179 122.179 125.702 -3.523 19027
1089 1 4 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.610 -0.057 19027
1090 1 4 . 1 1 38 38 CYS C C 38 170.825 170.825 174.205 -3.380 19027
1091 1 4 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.233 -1.763 19027
1092 1 4 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.949 2.827 19027
1093 1 4 . 1 1 38 38 CYS H H 38 6.987 6.987 8.196 -1.209 19027
1094 1 4 . 1 1 39 39 CYS N N 39 122.613 122.613 124.211 -1.598 19027
1095 1 4 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.920 -1.335 19027
1096 1 4 . 1 1 39 39 CYS CA C 39 58.215 58.215 56.132 2.083 19027
1097 1 4 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.832 1.758 19027
1098 1 4 . 1 1 39 39 CYS H H 39 8.053 8.053 8.872 -0.819 19027
1099 1 4 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.365 -0.376 19027
1100 1 4 . 1 1 40 40 PRO C C 40 176.898 176.898 177.240 -0.342 19027
1101 1 4 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.238 -0.678 19027
1102 1 4 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.233 1.291 19027
1103 1 4 . 1 1 41 41 ASP N N 41 122.580 122.580 118.758 3.822 19027
1104 1 4 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.675 -0.002 19027
1105 1 4 . 1 1 41 41 ASP C C 41 177.521 177.521 178.443 -0.922 19027
1106 1 4 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.442 0.133 19027
1107 1 4 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.209 1.740 19027
1108 1 4 . 1 1 41 41 ASP H H 41 8.514 8.514 8.353 0.161 19027
1109 1 4 . 1 1 42 42 CYS N N 42 120.989 120.989 118.818 2.171 19027
1110 1 4 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.117 0.458 19027
1111 1 4 . 1 1 42 42 CYS C C 42 176.608 176.608 176.751 -0.143 19027
1112 1 4 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.778 -1.075 19027
1113 1 4 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.126 5.199 19027
1114 1 4 . 1 1 42 42 CYS H H 42 8.489 8.489 8.251 0.238 19027
1115 1 4 . 1 1 43 43 SER N N 43 114.015 114.015 117.526 -3.511 19027
1116 1 4 . 1 1 43 43 SER HA H 43 4.552 4.552 4.288 0.264 19027
1117 1 4 . 1 1 43 43 SER C C 43 174.781 174.781 175.439 -0.658 19027
1118 1 4 . 1 1 43 43 SER CA C 43 60.651 60.651 61.212 -0.560 19027
1119 1 4 . 1 1 43 43 SER CB C 43 63.609 63.609 63.181 0.428 19027
1120 1 4 . 1 1 43 43 SER H H 43 7.259 7.259 8.026 -0.767 19027
1121 1 4 . 1 1 44 44 VAL N N 44 113.888 113.888 114.289 -0.401 19027
1122 1 4 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.463 -0.072 19027
1123 1 4 . 1 1 44 44 VAL C C 44 176.216 176.216 175.072 1.144 19027
1124 1 4 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.831 1.353 19027
1125 1 4 . 1 1 44 44 VAL CB C 44 33.595 33.595 32.005 1.590 19027
1126 1 4 . 1 1 44 44 VAL H H 44 8.640 8.640 7.672 0.968 19027
1127 1 4 . 1 1 45 45 ARG N N 45 119.350 119.350 120.503 -1.153 19027
1128 1 4 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.669 0.057 19027
1129 1 4 . 1 1 45 45 ARG C C 45 174.378 174.378 174.827 -0.449 19027
1130 1 4 . 1 1 45 45 ARG CA C 45 54.492 54.492 53.691 0.801 19027
1131 1 4 . 1 1 45 45 ARG CB C 45 34.247 34.247 33.011 1.236 19027
1132 1 4 . 1 1 45 45 ARG H H 45 6.674 6.674 8.030 -1.356 19027
1133 1 4 . 1 1 46 46 GLU N N 46 122.707 122.707 121.440 1.267 19027
1134 1 4 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.454 0.341 19027
1135 1 4 . 1 1 46 46 GLU C C 46 176.797 176.797 177.694 -0.897 19027
1136 1 4 . 1 1 46 46 GLU CA C 46 55.819 55.819 55.587 0.231 19027
1137 1 4 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.463 3.525 19027
1138 1 4 . 1 1 46 46 GLU H H 46 9.287 9.287 8.532 0.755 19027
1139 1 4 . 1 1 47 47 LYS N N 47 121.213 121.213 123.499 -2.286 19027
1140 1 4 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.229 -0.596 19027
1141 1 4 . 1 1 47 47 LYS C C 47 179.071 179.071 178.464 0.607 19027
1142 1 4 . 1 1 47 47 LYS CA C 47 61.748 61.748 58.928 2.820 19027
1143 1 4 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.336 2.748 19027
1144 1 4 . 1 1 47 47 LYS H H 47 8.229 8.229 8.884 -0.655 19027
1145 1 4 . 1 1 48 48 VAL N N 48 112.335 112.335 119.103 -6.768 19027
1146 1 4 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.971 0.117 19027
1147 1 4 . 1 1 48 48 VAL C C 48 175.267 175.267 176.177 -0.910 19027
1148 1 4 . 1 1 48 48 VAL CA C 48 65.023 65.023 63.866 1.157 19027
1149 1 4 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.227 1.198 19027
1150 1 4 . 1 1 48 48 VAL H H 48 7.813 7.813 8.002 -0.189 19027
1151 1 4 . 1 1 49 49 ASP N N 49 118.790 118.790 119.546 -0.756 19027
1152 1 4 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.393 0.486 19027
1153 1 4 . 1 1 49 49 ASP C C 49 177.232 177.232 176.645 0.587 19027
1154 1 4 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.457 0.443 19027
1155 1 4 . 1 1 49 49 ASP CB C 49 44.292 44.292 40.918 3.374 19027
1156 1 4 . 1 1 49 49 ASP H H 49 8.360 8.360 7.590 0.770 19027
1157 1 4 . 1 1 50 50 PHE N N 50 121.477 121.477 119.475 2.002 19027
1158 1 4 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.274 0.254 19027
1159 1 4 . 1 1 50 50 PHE C C 50 176.351 176.351 175.824 0.527 19027
1160 1 4 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.808 0.768 19027
1161 1 4 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.329 2.044 19027
1162 1 4 . 1 1 50 50 PHE H H 50 8.227 8.227 7.539 0.688 19027
1163 1 4 . 1 1 51 51 GLU N N 51 120.869 120.869 123.788 -2.919 19027
1164 1 4 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.731 -0.148 19027
1165 1 4 . 1 1 51 51 GLU C C 51 175.785 175.785 175.740 0.045 19027
1166 1 4 . 1 1 51 51 GLU CA C 51 55.664 55.664 54.958 0.707 19027
1167 1 4 . 1 1 51 51 GLU CB C 51 33.082 33.082 33.022 0.060 19027
1168 1 4 . 1 1 51 51 GLU H H 51 9.170 9.170 8.618 0.552 19027
1169 1 4 . 1 1 52 52 ARG N N 52 126.629 126.629 121.550 5.079 19027
1170 1 4 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.413 -0.756 19027
1171 1 4 . 1 1 52 52 ARG C C 52 176.531 176.531 175.964 0.567 19027
1172 1 4 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.211 2.150 19027
1173 1 4 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.804 0.590 19027
1174 1 4 . 1 1 52 52 ARG H H 52 8.810 8.810 8.389 0.421 19027
1175 1 4 . 1 1 53 53 MET N N 53 127.146 127.146 120.387 6.759 19027
1176 1 4 . 1 1 53 53 MET HA H 53 4.358 4.358 4.438 -0.080 19027
1177 1 4 . 1 1 53 53 MET C C 53 176.545 176.545 176.626 -0.081 19027
1178 1 4 . 1 1 53 53 MET CA C 53 56.209 56.209 54.908 1.301 19027
1179 1 4 . 1 1 53 53 MET CB C 53 33.611 33.611 33.240 0.371 19027
1180 1 4 . 1 1 53 53 MET H H 53 8.561 8.561 8.339 0.222 19027
1181 1 4 . 1 1 54 54 GLY N N 54 109.727 109.727 108.706 1.021 19027
1182 1 4 . 1 1 54 54 GLY C C 54 174.379 174.379 174.341 0.038 19027
1183 1 4 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.545 1.775 19027
1184 1 4 . 1 1 54 54 GLY H H 54 8.286 8.286 8.150 0.136 19027
1185 1 4 . 1 1 55 55 GLY N N 55 109.085 109.085 110.216 -1.131 19027
1186 1 4 . 1 1 55 55 GLY C C 55 173.142 173.142 175.069 -1.927 19027
1187 1 4 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.541 0.681 19027
1188 1 4 . 1 1 55 55 GLY H H 55 8.242 8.242 8.061 0.181 19027
1189 1 5 . 1 1 2 2 THR N N 2 119.701 119.701 117.715 1.986 19027
1190 1 5 . 1 1 2 2 THR HA H 2 4.410 4.410 4.493 -0.083 19027
1191 1 5 . 1 1 2 2 THR C C 2 171.369 171.369 173.146 -1.777 19027
1192 1 5 . 1 1 2 2 THR CA C 2 61.966 61.966 61.775 0.191 19027
1193 1 5 . 1 1 2 2 THR CB C 2 71.197 71.197 69.665 1.532 19027
1194 1 5 . 1 1 2 2 THR H H 2 9.154 9.154 8.288 0.866 19027
1195 1 5 . 1 1 3 3 ALA N N 3 125.223 125.223 128.014 -2.791 19027
1196 1 5 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.785 0.700 19027
1197 1 5 . 1 1 3 3 ALA C C 3 174.550 174.550 175.269 -0.719 19027
1198 1 5 . 1 1 3 3 ALA CA C 3 51.136 51.136 51.834 -0.697 19027
1199 1 5 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.246 1.990 19027
1200 1 5 . 1 1 3 3 ALA H H 3 8.067 8.067 8.071 -0.004 19027
1201 1 5 . 1 1 4 4 TYR N N 4 119.327 119.327 123.395 -4.068 19027
1202 1 5 . 1 1 4 4 TYR HA H 4 4.834 4.834 4.678 0.156 19027
1203 1 5 . 1 1 4 4 TYR C C 4 174.331 174.331 174.745 -0.414 19027
1204 1 5 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.796 -0.004 19027
1205 1 5 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.768 3.305 19027
1206 1 5 . 1 1 4 4 TYR H H 4 9.008 9.008 8.607 0.401 19027
1207 1 5 . 1 1 5 5 ARG N N 5 122.617 122.617 124.834 -2.217 19027
1208 1 5 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.704 0.778 19027
1209 1 5 . 1 1 5 5 ARG C C 5 174.456 174.456 174.061 0.395 19027
1210 1 5 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.101 -0.530 19027
1211 1 5 . 1 1 5 5 ARG CB C 5 36.478 36.478 31.664 4.814 19027
1212 1 5 . 1 1 5 5 ARG H H 5 9.374 9.374 8.643 0.731 19027
1213 1 5 . 1 1 6 6 CYS N N 6 131.493 131.493 124.391 7.102 19027
1214 1 5 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.664 -1.358 19027
1215 1 5 . 1 1 6 6 CYS CA C 6 57.218 57.218 55.773 1.445 19027
1216 1 5 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.054 2.558 19027
1217 1 5 . 1 1 6 6 CYS H H 6 9.180 9.180 8.872 0.308 19027
1218 1 5 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.550 -0.167 19027
1219 1 5 . 1 1 7 7 PRO C C 7 177.281 177.281 176.258 1.023 19027
1220 1 5 . 1 1 7 7 PRO CA C 7 64.699 64.699 64.074 0.625 19027
1221 1 5 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.696 1.442 19027
1222 1 5 . 1 1 8 8 VAL N N 8 125.048 125.048 115.162 9.886 19027
1223 1 5 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.837 0.028 19027
1224 1 5 . 1 1 8 8 VAL C C 8 177.405 177.405 176.513 0.892 19027
1225 1 5 . 1 1 8 8 VAL CA C 8 66.224 66.224 63.650 2.574 19027
1226 1 5 . 1 1 8 8 VAL CB C 8 33.281 33.281 30.925 2.356 19027
1227 1 5 . 1 1 8 8 VAL H H 8 9.396 9.396 7.850 1.546 19027
1228 1 5 . 1 1 9 9 CYS N N 9 121.339 121.339 114.677 6.662 19027
1229 1 5 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.960 -0.117 19027
1230 1 5 . 1 1 9 9 CYS C C 9 176.232 176.232 173.651 2.581 19027
1231 1 5 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.560 1.312 19027
1232 1 5 . 1 1 9 9 CYS CB C 9 33.899 33.899 31.213 2.686 19027
1233 1 5 . 1 1 9 9 CYS H H 9 8.536 8.536 7.490 1.046 19027
1234 1 5 . 1 1 10 10 ASP N N 10 118.066 118.066 117.890 0.176 19027
1235 1 5 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.735 -0.504 19027
1236 1 5 . 1 1 10 10 ASP C C 10 175.398 175.398 175.127 0.271 19027
1237 1 5 . 1 1 10 10 ASP CA C 10 58.005 58.005 52.837 5.168 19027
1238 1 5 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.411 -1.091 19027
1239 1 5 . 1 1 10 10 ASP H H 10 7.829 7.829 7.798 0.031 19027
1240 1 5 . 1 1 11 11 TYR N N 11 127.926 127.926 118.593 9.333 19027
1241 1 5 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.201 -0.038 19027
1242 1 5 . 1 1 11 11 TYR C C 11 174.865 174.865 175.874 -1.009 19027
1243 1 5 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.322 3.317 19027
1244 1 5 . 1 1 11 11 TYR CB C 11 40.242 40.242 38.917 1.325 19027
1245 1 5 . 1 1 11 11 TYR H H 11 9.158 9.158 8.495 0.663 19027
1246 1 5 . 1 1 12 12 THR N N 12 122.867 122.867 113.617 9.250 19027
1247 1 5 . 1 1 12 12 THR HA H 12 5.097 5.097 4.411 0.686 19027
1248 1 5 . 1 1 12 12 THR C C 12 172.419 172.419 173.178 -0.759 19027
1249 1 5 . 1 1 12 12 THR CA C 12 61.689 61.689 61.238 0.451 19027
1250 1 5 . 1 1 12 12 THR CB C 12 72.538 72.538 70.288 2.250 19027
1251 1 5 . 1 1 12 12 THR H H 12 7.803 7.803 7.913 -0.110 19027
1252 1 5 . 1 1 13 13 TYR N N 13 128.551 128.551 124.610 3.941 19027
1253 1 5 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.787 -0.289 19027
1254 1 5 . 1 1 13 13 TYR C C 13 172.434 172.434 174.562 -2.128 19027
1255 1 5 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.718 1.219 19027
1256 1 5 . 1 1 13 13 TYR CB C 13 41.423 41.423 40.637 0.786 19027
1257 1 5 . 1 1 13 13 TYR H H 13 9.633 9.633 8.447 1.186 19027
1258 1 5 . 1 1 14 14 ASP N N 14 130.010 130.010 123.781 6.229 19027
1259 1 5 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.656 0.116 19027
1260 1 5 . 1 1 14 14 ASP C C 14 175.913 175.913 177.473 -1.560 19027
1261 1 5 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.978 -1.159 19027
1262 1 5 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.303 2.580 19027
1263 1 5 . 1 1 14 14 ASP H H 14 8.871 8.871 8.355 0.516 19027
1264 1 5 . 1 1 15 15 GLU N N 15 124.543 124.543 125.437 -0.894 19027
1265 1 5 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.120 -0.249 19027
1266 1 5 . 1 1 15 15 GLU C C 15 177.377 177.377 177.736 -0.359 19027
1267 1 5 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.637 0.214 19027
1268 1 5 . 1 1 15 15 GLU CB C 15 33.567 33.567 30.194 3.373 19027
1269 1 5 . 1 1 15 15 GLU H H 15 8.513 8.513 8.386 0.127 19027
1270 1 5 . 1 1 16 16 GLY N N 16 101.955 101.955 104.052 -2.097 19027
1271 1 5 . 1 1 16 16 GLY C C 16 175.805 175.805 175.150 0.655 19027
1272 1 5 . 1 1 16 16 GLY CA C 16 47.481 47.481 44.747 2.734 19027
1273 1 5 . 1 1 16 16 GLY H H 16 8.415 8.415 7.895 0.520 19027
1274 1 5 . 1 1 17 17 LYS N N 17 118.967 118.967 120.451 -1.484 19027
1275 1 5 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.309 -0.066 19027
1276 1 5 . 1 1 17 17 LYS C C 17 178.731 178.731 177.304 1.427 19027
1277 1 5 . 1 1 17 17 LYS CA C 17 57.830 57.830 57.553 0.277 19027
1278 1 5 . 1 1 17 17 LYS CB C 17 35.378 35.378 34.163 1.215 19027
1279 1 5 . 1 1 17 17 LYS H H 17 7.518 7.518 7.781 -0.263 19027
1280 1 5 . 1 1 18 18 GLY N N 18 105.920 105.920 107.130 -1.210 19027
1281 1 5 . 1 1 18 18 GLY C C 18 174.014 174.014 173.552 0.462 19027
1282 1 5 . 1 1 18 18 GLY CA C 18 45.196 45.196 44.968 0.229 19027
1283 1 5 . 1 1 18 18 GLY H H 18 8.340 8.340 7.738 0.602 19027
1284 1 5 . 1 1 19 19 ASP N N 19 115.186 115.186 119.850 -4.664 19027
1285 1 5 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.453 0.546 19027
1286 1 5 . 1 1 19 19 ASP CA C 19 53.849 53.849 53.998 -0.149 19027
1287 1 5 . 1 1 19 19 ASP CB C 19 42.778 42.778 39.088 3.690 19027
1288 1 5 . 1 1 19 19 ASP H H 19 9.398 9.398 8.331 1.067 19027
1289 1 5 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.389 -0.304 19027
1290 1 5 . 1 1 20 20 PRO C C 20 179.781 179.781 178.339 1.442 19027
1291 1 5 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.758 0.940 19027
1292 1 5 . 1 1 20 20 PRO CB C 20 33.153 33.153 31.936 1.217 19027
1293 1 5 . 1 1 21 21 ARG N N 21 119.558 119.558 118.595 0.963 19027
1294 1 5 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.159 -0.124 19027
1295 1 5 . 1 1 21 21 ARG C C 21 178.035 178.035 176.974 1.061 19027
1296 1 5 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.066 1.961 19027
1297 1 5 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.201 1.591 19027
1298 1 5 . 1 1 21 21 ARG H H 21 8.130 8.130 8.334 -0.204 19027
1299 1 5 . 1 1 22 22 GLU N N 22 115.743 115.743 118.279 -2.536 19027
1300 1 5 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.363 -0.275 19027
1301 1 5 . 1 1 22 22 GLU C C 22 175.223 175.223 176.505 -1.282 19027
1302 1 5 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.510 0.097 19027
1303 1 5 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.666 3.949 19027
1304 1 5 . 1 1 22 22 GLU H H 22 7.351 7.351 7.477 -0.126 19027
1305 1 5 . 1 1 23 23 GLY N N 23 104.201 104.201 108.073 -3.872 19027
1306 1 5 . 1 1 23 23 GLY C C 23 173.653 173.653 173.515 0.138 19027
1307 1 5 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.627 0.523 19027
1308 1 5 . 1 1 23 23 GLY H H 23 7.418 7.418 7.784 -0.366 19027
1309 1 5 . 1 1 24 24 PHE N N 24 119.913 119.913 118.958 0.955 19027
1310 1 5 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.808 0.540 19027
1311 1 5 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.849 -2.423 19027
1312 1 5 . 1 1 24 24 PHE CB C 24 40.179 40.179 40.026 0.153 19027
1313 1 5 . 1 1 24 24 PHE H H 24 7.332 7.332 7.243 0.089 19027
1314 1 5 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.402 -0.022 19027
1315 1 5 . 1 1 25 25 PRO C C 25 176.423 176.423 176.270 0.153 19027
1316 1 5 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.178 0.986 19027
1317 1 5 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.117 1.656 19027
1318 1 5 . 1 1 26 26 ALA N N 26 125.017 125.017 121.259 3.758 19027
1319 1 5 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.939 -0.529 19027
1320 1 5 . 1 1 26 26 ALA C C 26 177.828 177.828 178.417 -0.589 19027
1321 1 5 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.821 1.533 19027
1322 1 5 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.666 0.184 19027
1323 1 5 . 1 1 26 26 ALA H H 26 8.807 8.807 8.186 0.621 19027
1324 1 5 . 1 1 27 27 GLY N N 27 112.134 112.134 112.145 -0.011 19027
1325 1 5 . 1 1 27 27 GLY C C 27 174.600 174.600 174.773 -0.173 19027
1326 1 5 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.787 1.601 19027
1327 1 5 . 1 1 27 27 GLY H H 27 8.047 8.047 8.906 -0.859 19027
1328 1 5 . 1 1 28 28 THR N N 28 117.918 117.918 120.134 -2.216 19027
1329 1 5 . 1 1 28 28 THR HA H 28 3.864 3.864 4.128 -0.264 19027
1330 1 5 . 1 1 28 28 THR C C 28 174.146 174.146 173.700 0.446 19027
1331 1 5 . 1 1 28 28 THR CA C 28 65.904 65.904 63.930 1.974 19027
1332 1 5 . 1 1 28 28 THR CB C 28 68.895 68.895 69.445 -0.550 19027
1333 1 5 . 1 1 28 28 THR H H 28 7.629 7.629 7.694 -0.065 19027
1334 1 5 . 1 1 29 29 ARG N N 29 129.298 129.298 124.615 4.683 19027
1335 1 5 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.626 -0.393 19027
1336 1 5 . 1 1 29 29 ARG C C 29 177.469 177.469 177.377 0.092 19027
1337 1 5 . 1 1 29 29 ARG CA C 29 56.070 56.070 54.282 1.788 19027
1338 1 5 . 1 1 29 29 ARG CB C 29 32.377 32.377 32.100 0.277 19027
1339 1 5 . 1 1 29 29 ARG H H 29 8.621 8.621 8.296 0.325 19027
1340 1 5 . 1 1 30 30 TRP N N 30 123.961 123.961 121.404 2.557 19027
1341 1 5 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.244 -0.259 19027
1342 1 5 . 1 1 30 30 TRP C C 30 178.407 178.407 175.298 3.109 19027
1343 1 5 . 1 1 30 30 TRP CA C 30 60.243 60.243 57.872 2.371 19027
1344 1 5 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.841 3.372 19027
1345 1 5 . 1 1 30 30 TRP H H 30 10.310 10.310 8.754 1.556 19027
1346 1 5 . 1 1 31 31 ASP N N 31 111.781 111.781 117.332 -5.551 19027
1347 1 5 . 1 1 31 31 ASP HA H 31 4.093 4.093 3.945 0.148 19027
1348 1 5 . 1 1 31 31 ASP C C 31 176.435 176.435 176.366 0.069 19027
1349 1 5 . 1 1 31 31 ASP CA C 31 56.056 56.056 54.926 1.129 19027
1350 1 5 . 1 1 31 31 ASP CB C 31 40.739 40.739 40.559 0.180 19027
1351 1 5 . 1 1 31 31 ASP H H 31 8.042 8.042 7.527 0.515 19027
1352 1 5 . 1 1 32 32 GLN N N 32 117.006 117.006 117.995 -0.989 19027
1353 1 5 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.095 -0.146 19027
1354 1 5 . 1 1 32 32 GLN C C 32 175.655 175.655 176.852 -1.197 19027
1355 1 5 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.395 -0.113 19027
1356 1 5 . 1 1 32 32 GLN CB C 32 30.867 30.867 29.059 1.808 19027
1357 1 5 . 1 1 32 32 GLN H H 32 7.787 7.787 7.260 0.527 19027
1358 1 5 . 1 1 33 33 ILE N N 33 125.130 125.130 121.666 3.464 19027
1359 1 5 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.704 -0.398 19027
1360 1 5 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.932 0.226 19027
1361 1 5 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.074 2.398 19027
1362 1 5 . 1 1 33 33 ILE H H 33 6.746 6.746 7.197 -0.451 19027
1363 1 5 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.549 -0.482 19027
1364 1 5 . 1 1 34 34 PRO C C 34 176.375 176.375 177.468 -1.093 19027
1365 1 5 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.572 1.747 19027
1366 1 5 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.204 1.394 19027
1367 1 5 . 1 1 35 35 ASP N N 35 119.176 119.176 122.523 -3.347 19027
1368 1 5 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.421 -0.351 19027
1369 1 5 . 1 1 35 35 ASP C C 35 175.841 175.841 176.200 -0.359 19027
1370 1 5 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.723 2.261 19027
1371 1 5 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.168 1.495 19027
1372 1 5 . 1 1 35 35 ASP H H 35 8.323 8.323 8.749 -0.426 19027
1373 1 5 . 1 1 36 36 ASP N N 36 113.960 113.960 118.370 -4.410 19027
1374 1 5 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.616 -0.132 19027
1375 1 5 . 1 1 36 36 ASP C C 36 175.704 175.704 176.532 -0.828 19027
1376 1 5 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.077 -0.852 19027
1377 1 5 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.595 -0.242 19027
1378 1 5 . 1 1 36 36 ASP H H 36 8.035 8.035 8.340 -0.305 19027
1379 1 5 . 1 1 37 37 TRP N N 37 123.373 123.373 121.934 1.439 19027
1380 1 5 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.403 -0.228 19027
1381 1 5 . 1 1 37 37 TRP C C 37 174.365 174.365 176.790 -2.425 19027
1382 1 5 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.186 3.259 19027
1383 1 5 . 1 1 37 37 TRP CB C 37 30.338 30.338 29.936 0.403 19027
1384 1 5 . 1 1 37 37 TRP H H 37 7.524 7.524 7.702 -0.178 19027
1385 1 5 . 1 1 38 38 CYS N N 38 122.179 122.179 125.922 -3.743 19027
1386 1 5 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.668 -0.115 19027
1387 1 5 . 1 1 38 38 CYS C C 38 170.825 170.825 174.098 -3.273 19027
1388 1 5 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.205 -1.735 19027
1389 1 5 . 1 1 38 38 CYS CB C 38 31.776 31.776 27.939 3.837 19027
1390 1 5 . 1 1 38 38 CYS H H 38 6.987 6.987 8.230 -1.243 19027
1391 1 5 . 1 1 39 39 CYS N N 39 122.613 122.613 127.259 -4.646 19027
1392 1 5 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.944 -1.359 19027
1393 1 5 . 1 1 39 39 CYS CA C 39 58.215 58.215 55.325 2.890 19027
1394 1 5 . 1 1 39 39 CYS CB C 39 32.590 32.590 29.837 2.753 19027
1395 1 5 . 1 1 39 39 CYS H H 39 8.053 8.053 8.692 -0.639 19027
1396 1 5 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.329 -0.340 19027
1397 1 5 . 1 1 40 40 PRO C C 40 176.898 176.898 177.250 -0.352 19027
1398 1 5 . 1 1 40 40 PRO CA C 40 64.560 64.560 64.972 -0.412 19027
1399 1 5 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.161 1.363 19027
1400 1 5 . 1 1 41 41 ASP N N 41 122.580 122.580 118.177 4.403 19027
1401 1 5 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.665 0.008 19027
1402 1 5 . 1 1 41 41 ASP C C 41 177.521 177.521 178.435 -0.914 19027
1403 1 5 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.512 0.063 19027
1404 1 5 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.123 1.826 19027
1405 1 5 . 1 1 41 41 ASP H H 41 8.514 8.514 8.289 0.225 19027
1406 1 5 . 1 1 42 42 CYS N N 42 120.989 120.989 119.070 1.919 19027
1407 1 5 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.189 0.386 19027
1408 1 5 . 1 1 42 42 CYS C C 42 176.608 176.608 176.718 -0.110 19027
1409 1 5 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.754 -1.052 19027
1410 1 5 . 1 1 42 42 CYS CB C 42 32.325 32.325 26.749 5.576 19027
1411 1 5 . 1 1 42 42 CYS H H 42 8.489 8.489 8.239 0.250 19027
1412 1 5 . 1 1 43 43 SER N N 43 114.015 114.015 118.220 -4.205 19027
1413 1 5 . 1 1 43 43 SER HA H 43 4.552 4.552 4.284 0.268 19027
1414 1 5 . 1 1 43 43 SER C C 43 174.781 174.781 175.301 -0.520 19027
1415 1 5 . 1 1 43 43 SER CA C 43 60.651 60.651 61.140 -0.489 19027
1416 1 5 . 1 1 43 43 SER CB C 43 63.609 63.609 63.173 0.436 19027
1417 1 5 . 1 1 43 43 SER H H 43 7.259 7.259 8.132 -0.873 19027
1418 1 5 . 1 1 44 44 VAL N N 44 113.888 113.888 112.600 1.288 19027
1419 1 5 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.369 0.022 19027
1420 1 5 . 1 1 44 44 VAL C C 44 176.216 176.216 174.825 1.391 19027
1421 1 5 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.502 1.682 19027
1422 1 5 . 1 1 44 44 VAL CB C 44 33.595 33.595 32.217 1.378 19027
1423 1 5 . 1 1 44 44 VAL H H 44 8.640 8.640 7.531 1.109 19027
1424 1 5 . 1 1 45 45 ARG N N 45 119.350 119.350 120.712 -1.362 19027
1425 1 5 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.618 0.108 19027
1426 1 5 . 1 1 45 45 ARG C C 45 174.378 174.378 175.209 -0.831 19027
1427 1 5 . 1 1 45 45 ARG CA C 45 54.492 54.492 53.915 0.577 19027
1428 1 5 . 1 1 45 45 ARG CB C 45 34.247 34.247 32.949 1.298 19027
1429 1 5 . 1 1 45 45 ARG H H 45 6.674 6.674 7.979 -1.305 19027
1430 1 5 . 1 1 46 46 GLU N N 46 122.707 122.707 122.712 -0.005 19027
1431 1 5 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.358 0.437 19027
1432 1 5 . 1 1 46 46 GLU C C 46 176.797 176.797 177.772 -0.975 19027
1433 1 5 . 1 1 46 46 GLU CA C 46 55.819 55.819 56.128 -0.309 19027
1434 1 5 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.213 3.775 19027
1435 1 5 . 1 1 46 46 GLU H H 46 9.287 9.287 8.566 0.721 19027
1436 1 5 . 1 1 47 47 LYS N N 47 121.213 121.213 123.825 -2.612 19027
1437 1 5 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.098 -0.465 19027
1438 1 5 . 1 1 47 47 LYS C C 47 179.071 179.071 178.709 0.362 19027
1439 1 5 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.340 2.408 19027
1440 1 5 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.520 2.564 19027
1441 1 5 . 1 1 47 47 LYS H H 47 8.229 8.229 8.752 -0.523 19027
1442 1 5 . 1 1 48 48 VAL N N 48 112.335 112.335 117.507 -5.172 19027
1443 1 5 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.848 0.240 19027
1444 1 5 . 1 1 48 48 VAL C C 48 175.267 175.267 175.912 -0.645 19027
1445 1 5 . 1 1 48 48 VAL CA C 48 65.023 65.023 63.773 1.250 19027
1446 1 5 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.451 0.974 19027
1447 1 5 . 1 1 48 48 VAL H H 48 7.813 7.813 7.841 -0.028 19027
1448 1 5 . 1 1 49 49 ASP N N 49 118.790 118.790 120.178 -1.388 19027
1449 1 5 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.498 0.381 19027
1450 1 5 . 1 1 49 49 ASP C C 49 177.232 177.232 177.058 0.174 19027
1451 1 5 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.883 0.017 19027
1452 1 5 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.196 3.096 19027
1453 1 5 . 1 1 49 49 ASP H H 49 8.360 8.360 7.609 0.751 19027
1454 1 5 . 1 1 50 50 PHE N N 50 121.477 121.477 117.583 3.894 19027
1455 1 5 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.312 0.216 19027
1456 1 5 . 1 1 50 50 PHE C C 50 176.351 176.351 176.051 0.300 19027
1457 1 5 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.295 1.281 19027
1458 1 5 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.931 1.442 19027
1459 1 5 . 1 1 50 50 PHE H H 50 8.227 8.227 7.787 0.441 19027
1460 1 5 . 1 1 51 51 GLU N N 51 120.869 120.869 120.826 0.043 19027
1461 1 5 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.615 -0.032 19027
1462 1 5 . 1 1 51 51 GLU C C 51 175.785 175.785 176.034 -0.249 19027
1463 1 5 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.040 0.624 19027
1464 1 5 . 1 1 51 51 GLU CB C 51 33.082 33.082 30.478 2.604 19027
1465 1 5 . 1 1 51 51 GLU H H 51 9.170 9.170 8.743 0.427 19027
1466 1 5 . 1 1 52 52 ARG N N 52 126.629 126.629 124.893 1.736 19027
1467 1 5 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.123 -0.466 19027
1468 1 5 . 1 1 52 52 ARG C C 52 176.531 176.531 176.035 0.496 19027
1469 1 5 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.862 1.499 19027
1470 1 5 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.772 0.622 19027
1471 1 5 . 1 1 52 52 ARG H H 52 8.810 8.810 8.581 0.229 19027
1472 1 5 . 1 1 53 53 MET N N 53 127.146 127.146 123.425 3.721 19027
1473 1 5 . 1 1 53 53 MET HA H 53 4.358 4.358 4.614 -0.256 19027
1474 1 5 . 1 1 53 53 MET C C 53 176.545 176.545 175.488 1.057 19027
1475 1 5 . 1 1 53 53 MET CA C 53 56.209 56.209 54.469 1.740 19027
1476 1 5 . 1 1 53 53 MET CB C 53 33.611 33.611 33.323 0.288 19027
1477 1 5 . 1 1 53 53 MET H H 53 8.561 8.561 7.799 0.762 19027
1478 1 5 . 1 1 54 54 GLY N N 54 109.727 109.727 111.358 -1.631 19027
1479 1 5 . 1 1 54 54 GLY C C 54 174.379 174.379 173.315 1.064 19027
1480 1 5 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.472 1.848 19027
1481 1 5 . 1 1 54 54 GLY H H 54 8.286 8.286 8.300 -0.014 19027
1482 1 5 . 1 1 55 55 GLY N N 55 109.085 109.085 109.359 -0.274 19027
1483 1 5 . 1 1 55 55 GLY C C 55 173.142 173.142 174.902 -1.760 19027
1484 1 5 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.307 0.915 19027
1485 1 5 . 1 1 55 55 GLY H H 55 8.242 8.242 8.189 0.053 19027
1486 1 6 . 1 1 2 2 THR N N 2 119.701 119.701 118.171 1.530 19027
1487 1 6 . 1 1 2 2 THR HA H 2 4.410 4.410 4.544 -0.134 19027
1488 1 6 . 1 1 2 2 THR C C 2 171.369 171.369 173.129 -1.760 19027
1489 1 6 . 1 1 2 2 THR CA C 2 61.966 61.966 61.998 -0.033 19027
1490 1 6 . 1 1 2 2 THR CB C 2 71.197 71.197 70.042 1.155 19027
1491 1 6 . 1 1 2 2 THR H H 2 9.154 9.154 9.010 0.144 19027
1492 1 6 . 1 1 3 3 ALA N N 3 125.223 125.223 127.768 -2.545 19027
1493 1 6 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.721 0.764 19027
1494 1 6 . 1 1 3 3 ALA C C 3 174.550 174.550 174.985 -0.435 19027
1495 1 6 . 1 1 3 3 ALA CA C 3 51.136 51.136 51.857 -0.721 19027
1496 1 6 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.217 2.019 19027
1497 1 6 . 1 1 3 3 ALA H H 3 8.067 8.067 8.019 0.048 19027
1498 1 6 . 1 1 4 4 TYR N N 4 119.327 119.327 123.401 -4.074 19027
1499 1 6 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.351 -0.517 19027
1500 1 6 . 1 1 4 4 TYR C C 4 174.331 174.331 175.006 -0.675 19027
1501 1 6 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.638 0.154 19027
1502 1 6 . 1 1 4 4 TYR CB C 4 44.073 44.073 42.262 1.811 19027
1503 1 6 . 1 1 4 4 TYR H H 4 9.008 9.008 8.708 0.300 19027
1504 1 6 . 1 1 5 5 ARG N N 5 122.617 122.617 123.766 -1.149 19027
1505 1 6 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.812 0.670 19027
1506 1 6 . 1 1 5 5 ARG C C 5 174.456 174.456 174.239 0.217 19027
1507 1 6 . 1 1 5 5 ARG CA C 5 54.571 54.571 56.011 -1.440 19027
1508 1 6 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.100 4.378 19027
1509 1 6 . 1 1 5 5 ARG H H 5 9.374 9.374 8.183 1.191 19027
1510 1 6 . 1 1 6 6 CYS N N 6 131.493 131.493 124.731 6.762 19027
1511 1 6 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.643 -1.337 19027
1512 1 6 . 1 1 6 6 CYS CA C 6 57.218 57.218 55.730 1.488 19027
1513 1 6 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.412 2.200 19027
1514 1 6 . 1 1 6 6 CYS H H 6 9.180 9.180 9.060 0.120 19027
1515 1 6 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.550 -0.167 19027
1516 1 6 . 1 1 7 7 PRO C C 7 177.281 177.281 176.361 0.920 19027
1517 1 6 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.857 0.842 19027
1518 1 6 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.872 1.266 19027
1519 1 6 . 1 1 8 8 VAL N N 8 125.048 125.048 115.022 10.026 19027
1520 1 6 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.766 0.099 19027
1521 1 6 . 1 1 8 8 VAL C C 8 177.405 177.405 176.508 0.897 19027
1522 1 6 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.215 2.009 19027
1523 1 6 . 1 1 8 8 VAL CB C 8 33.281 33.281 30.935 2.346 19027
1524 1 6 . 1 1 8 8 VAL H H 8 9.396 9.396 7.984 1.412 19027
1525 1 6 . 1 1 9 9 CYS N N 9 121.339 121.339 114.477 6.862 19027
1526 1 6 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.744 0.099 19027
1527 1 6 . 1 1 9 9 CYS C C 9 176.232 176.232 173.575 2.657 19027
1528 1 6 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.398 1.474 19027
1529 1 6 . 1 1 9 9 CYS CB C 9 33.899 33.899 31.111 2.788 19027
1530 1 6 . 1 1 9 9 CYS H H 9 8.536 8.536 7.437 1.099 19027
1531 1 6 . 1 1 10 10 ASP N N 10 118.066 118.066 117.592 0.474 19027
1532 1 6 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.716 -0.485 19027
1533 1 6 . 1 1 10 10 ASP C C 10 175.398 175.398 175.185 0.213 19027
1534 1 6 . 1 1 10 10 ASP CA C 10 58.005 58.005 52.823 5.182 19027
1535 1 6 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.357 -1.037 19027
1536 1 6 . 1 1 10 10 ASP H H 10 7.829 7.829 7.792 0.037 19027
1537 1 6 . 1 1 11 11 TYR N N 11 127.926 127.926 119.008 8.918 19027
1538 1 6 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.257 -0.094 19027
1539 1 6 . 1 1 11 11 TYR C C 11 174.865 174.865 176.069 -1.204 19027
1540 1 6 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.937 2.702 19027
1541 1 6 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.040 1.202 19027
1542 1 6 . 1 1 11 11 TYR H H 11 9.158 9.158 8.658 0.500 19027
1543 1 6 . 1 1 12 12 THR N N 12 122.867 122.867 112.937 9.930 19027
1544 1 6 . 1 1 12 12 THR HA H 12 5.097 5.097 4.525 0.572 19027
1545 1 6 . 1 1 12 12 THR C C 12 172.419 172.419 173.164 -0.745 19027
1546 1 6 . 1 1 12 12 THR CA C 12 61.689 61.689 61.478 0.211 19027
1547 1 6 . 1 1 12 12 THR CB C 12 72.538 72.538 70.602 1.936 19027
1548 1 6 . 1 1 12 12 THR H H 12 7.803 7.803 7.913 -0.110 19027
1549 1 6 . 1 1 13 13 TYR N N 13 128.551 128.551 124.287 4.264 19027
1550 1 6 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.822 -0.324 19027
1551 1 6 . 1 1 13 13 TYR C C 13 172.434 172.434 174.756 -2.322 19027
1552 1 6 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.737 1.200 19027
1553 1 6 . 1 1 13 13 TYR CB C 13 41.423 41.423 40.384 1.039 19027
1554 1 6 . 1 1 13 13 TYR H H 13 9.633 9.633 8.567 1.066 19027
1555 1 6 . 1 1 14 14 ASP N N 14 130.010 130.010 123.529 6.481 19027
1556 1 6 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.703 0.069 19027
1557 1 6 . 1 1 14 14 ASP C C 14 175.913 175.913 177.476 -1.563 19027
1558 1 6 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.663 -0.844 19027
1559 1 6 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.322 2.562 19027
1560 1 6 . 1 1 14 14 ASP H H 14 8.871 8.871 8.369 0.502 19027
1561 1 6 . 1 1 15 15 GLU N N 15 124.543 124.543 124.546 -0.003 19027
1562 1 6 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.113 -0.242 19027
1563 1 6 . 1 1 15 15 GLU C C 15 177.377 177.377 177.929 -0.552 19027
1564 1 6 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.165 0.686 19027
1565 1 6 . 1 1 15 15 GLU CB C 15 33.567 33.567 30.127 3.440 19027
1566 1 6 . 1 1 15 15 GLU H H 15 8.513 8.513 8.339 0.174 19027
1567 1 6 . 1 1 16 16 GLY N N 16 101.955 101.955 103.131 -1.176 19027
1568 1 6 . 1 1 16 16 GLY C C 16 175.805 175.805 174.964 0.841 19027
1569 1 6 . 1 1 16 16 GLY CA C 16 47.481 47.481 44.641 2.840 19027
1570 1 6 . 1 1 16 16 GLY H H 16 8.415 8.415 7.819 0.596 19027
1571 1 6 . 1 1 17 17 LYS N N 17 118.967 118.967 120.483 -1.516 19027
1572 1 6 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.313 -0.070 19027
1573 1 6 . 1 1 17 17 LYS C C 17 178.731 178.731 177.483 1.248 19027
1574 1 6 . 1 1 17 17 LYS CA C 17 57.830 57.830 57.563 0.267 19027
1575 1 6 . 1 1 17 17 LYS CB C 17 35.378 35.378 34.109 1.269 19027
1576 1 6 . 1 1 17 17 LYS H H 17 7.518 7.518 7.789 -0.271 19027
1577 1 6 . 1 1 18 18 GLY N N 18 105.920 105.920 106.951 -1.031 19027
1578 1 6 . 1 1 18 18 GLY C C 18 174.014 174.014 173.783 0.231 19027
1579 1 6 . 1 1 18 18 GLY CA C 18 45.196 45.196 44.876 0.320 19027
1580 1 6 . 1 1 18 18 GLY H H 18 8.340 8.340 7.715 0.625 19027
1581 1 6 . 1 1 19 19 ASP N N 19 115.186 115.186 120.698 -5.512 19027
1582 1 6 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.442 0.557 19027
1583 1 6 . 1 1 19 19 ASP CA C 19 53.849 53.849 54.150 -0.301 19027
1584 1 6 . 1 1 19 19 ASP CB C 19 42.778 42.778 40.216 2.562 19027
1585 1 6 . 1 1 19 19 ASP H H 19 9.398 9.398 8.215 1.183 19027
1586 1 6 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.385 -0.300 19027
1587 1 6 . 1 1 20 20 PRO C C 20 179.781 179.781 178.353 1.428 19027
1588 1 6 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.674 1.024 19027
1589 1 6 . 1 1 20 20 PRO CB C 20 33.153 33.153 31.944 1.209 19027
1590 1 6 . 1 1 21 21 ARG N N 21 119.558 119.558 118.794 0.764 19027
1591 1 6 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.113 -0.078 19027
1592 1 6 . 1 1 21 21 ARG C C 21 178.035 178.035 177.008 1.027 19027
1593 1 6 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.196 1.831 19027
1594 1 6 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.083 1.709 19027
1595 1 6 . 1 1 21 21 ARG H H 21 8.130 8.130 8.249 -0.119 19027
1596 1 6 . 1 1 22 22 GLU N N 22 115.743 115.743 117.975 -2.232 19027
1597 1 6 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.283 -0.195 19027
1598 1 6 . 1 1 22 22 GLU C C 22 175.223 175.223 176.403 -1.180 19027
1599 1 6 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.191 0.415 19027
1600 1 6 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.623 3.992 19027
1601 1 6 . 1 1 22 22 GLU H H 22 7.351 7.351 7.397 -0.046 19027
1602 1 6 . 1 1 23 23 GLY N N 23 104.201 104.201 105.772 -1.571 19027
1603 1 6 . 1 1 23 23 GLY C C 23 173.653 173.653 173.821 -0.168 19027
1604 1 6 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.693 0.457 19027
1605 1 6 . 1 1 23 23 GLY H H 23 7.418 7.418 7.653 -0.235 19027
1606 1 6 . 1 1 24 24 PHE N N 24 119.913 119.913 119.374 0.539 19027
1607 1 6 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.794 0.554 19027
1608 1 6 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.371 -1.945 19027
1609 1 6 . 1 1 24 24 PHE CB C 24 40.179 40.179 40.080 0.099 19027
1610 1 6 . 1 1 24 24 PHE H H 24 7.332 7.332 7.287 0.045 19027
1611 1 6 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.384 -0.004 19027
1612 1 6 . 1 1 25 25 PRO C C 25 176.423 176.423 176.003 0.420 19027
1613 1 6 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.201 0.963 19027
1614 1 6 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.181 1.592 19027
1615 1 6 . 1 1 26 26 ALA N N 26 125.017 125.017 121.291 3.726 19027
1616 1 6 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.982 -0.572 19027
1617 1 6 . 1 1 26 26 ALA C C 26 177.828 177.828 178.375 -0.547 19027
1618 1 6 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.895 1.459 19027
1619 1 6 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.597 0.253 19027
1620 1 6 . 1 1 26 26 ALA H H 26 8.807 8.807 8.172 0.635 19027
1621 1 6 . 1 1 27 27 GLY N N 27 112.134 112.134 111.679 0.455 19027
1622 1 6 . 1 1 27 27 GLY C C 27 174.600 174.600 174.280 0.320 19027
1623 1 6 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.812 1.577 19027
1624 1 6 . 1 1 27 27 GLY H H 27 8.047 8.047 8.933 -0.886 19027
1625 1 6 . 1 1 28 28 THR N N 28 117.918 117.918 118.177 -0.259 19027
1626 1 6 . 1 1 28 28 THR HA H 28 3.864 3.864 4.470 -0.606 19027
1627 1 6 . 1 1 28 28 THR C C 28 174.146 174.146 173.252 0.894 19027
1628 1 6 . 1 1 28 28 THR CA C 28 65.904 65.904 62.100 3.804 19027
1629 1 6 . 1 1 28 28 THR CB C 28 68.895 68.895 69.695 -0.800 19027
1630 1 6 . 1 1 28 28 THR H H 28 7.629 7.629 7.606 0.023 19027
1631 1 6 . 1 1 29 29 ARG N N 29 129.298 129.298 123.404 5.894 19027
1632 1 6 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.659 -0.426 19027
1633 1 6 . 1 1 29 29 ARG C C 29 177.469 177.469 176.202 1.267 19027
1634 1 6 . 1 1 29 29 ARG CA C 29 56.070 56.070 54.190 1.880 19027
1635 1 6 . 1 1 29 29 ARG CB C 29 32.377 32.377 32.331 0.046 19027
1636 1 6 . 1 1 29 29 ARG H H 29 8.621 8.621 8.290 0.331 19027
1637 1 6 . 1 1 30 30 TRP N N 30 123.961 123.961 120.376 3.585 19027
1638 1 6 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.439 -0.454 19027
1639 1 6 . 1 1 30 30 TRP C C 30 178.407 178.407 175.963 2.444 19027
1640 1 6 . 1 1 30 30 TRP CA C 30 60.243 60.243 58.183 2.060 19027
1641 1 6 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.745 3.468 19027
1642 1 6 . 1 1 30 30 TRP H H 30 10.310 10.310 8.900 1.410 19027
1643 1 6 . 1 1 31 31 ASP N N 31 111.781 111.781 118.030 -6.249 19027
1644 1 6 . 1 1 31 31 ASP HA H 31 4.093 4.093 3.984 0.109 19027
1645 1 6 . 1 1 31 31 ASP C C 31 176.435 176.435 176.978 -0.543 19027
1646 1 6 . 1 1 31 31 ASP CA C 31 56.056 56.056 54.674 1.382 19027
1647 1 6 . 1 1 31 31 ASP CB C 31 40.739 40.739 40.390 0.349 19027
1648 1 6 . 1 1 31 31 ASP H H 31 8.042 8.042 7.666 0.376 19027
1649 1 6 . 1 1 32 32 GLN N N 32 117.006 117.006 116.930 0.076 19027
1650 1 6 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.004 -0.055 19027
1651 1 6 . 1 1 32 32 GLN C C 32 175.655 175.655 176.946 -1.291 19027
1652 1 6 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.135 0.147 19027
1653 1 6 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.971 1.896 19027
1654 1 6 . 1 1 32 32 GLN H H 32 7.787 7.787 7.301 0.486 19027
1655 1 6 . 1 1 33 33 ILE N N 33 125.130 125.130 121.300 3.830 19027
1656 1 6 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.618 -0.312 19027
1657 1 6 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.249 0.909 19027
1658 1 6 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.637 1.835 19027
1659 1 6 . 1 1 33 33 ILE H H 33 6.746 6.746 7.066 -0.320 19027
1660 1 6 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.532 -0.465 19027
1661 1 6 . 1 1 34 34 PRO C C 34 176.375 176.375 177.359 -0.984 19027
1662 1 6 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.522 1.797 19027
1663 1 6 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.522 1.076 19027
1664 1 6 . 1 1 35 35 ASP N N 35 119.176 119.176 121.755 -2.579 19027
1665 1 6 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.469 -0.399 19027
1666 1 6 . 1 1 35 35 ASP C C 35 175.841 175.841 176.660 -0.819 19027
1667 1 6 . 1 1 35 35 ASP CA C 35 57.984 57.984 56.104 1.880 19027
1668 1 6 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.702 0.961 19027
1669 1 6 . 1 1 35 35 ASP H H 35 8.323 8.323 8.674 -0.351 19027
1670 1 6 . 1 1 36 36 ASP N N 36 113.960 113.960 118.263 -4.303 19027
1671 1 6 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.663 -0.179 19027
1672 1 6 . 1 1 36 36 ASP C C 36 175.704 175.704 175.294 0.410 19027
1673 1 6 . 1 1 36 36 ASP CA C 36 53.225 53.225 53.568 -0.343 19027
1674 1 6 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.546 -0.193 19027
1675 1 6 . 1 1 36 36 ASP H H 36 8.035 8.035 8.107 -0.072 19027
1676 1 6 . 1 1 37 37 TRP N N 37 123.373 123.373 121.338 2.035 19027
1677 1 6 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.755 -0.580 19027
1678 1 6 . 1 1 37 37 TRP C C 37 174.365 174.365 175.848 -1.483 19027
1679 1 6 . 1 1 37 37 TRP CA C 37 60.445 60.445 56.672 3.773 19027
1680 1 6 . 1 1 37 37 TRP CB C 37 30.338 30.338 28.806 1.532 19027
1681 1 6 . 1 1 37 37 TRP H H 37 7.524 7.524 7.572 -0.048 19027
1682 1 6 . 1 1 38 38 CYS N N 38 122.179 122.179 125.794 -3.615 19027
1683 1 6 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.509 0.044 19027
1684 1 6 . 1 1 38 38 CYS C C 38 170.825 170.825 174.119 -3.294 19027
1685 1 6 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.435 -1.965 19027
1686 1 6 . 1 1 38 38 CYS CB C 38 31.776 31.776 29.203 2.572 19027
1687 1 6 . 1 1 38 38 CYS H H 38 6.987 6.987 8.724 -1.737 19027
1688 1 6 . 1 1 39 39 CYS N N 39 122.613 122.613 123.701 -1.088 19027
1689 1 6 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.698 -1.113 19027
1690 1 6 . 1 1 39 39 CYS CA C 39 58.215 58.215 55.849 2.366 19027
1691 1 6 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.369 2.221 19027
1692 1 6 . 1 1 39 39 CYS H H 39 8.053 8.053 8.605 -0.552 19027
1693 1 6 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.306 -0.317 19027
1694 1 6 . 1 1 40 40 PRO C C 40 176.898 176.898 176.968 -0.070 19027
1695 1 6 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.077 -0.517 19027
1696 1 6 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.173 1.351 19027
1697 1 6 . 1 1 41 41 ASP N N 41 122.580 122.580 118.754 3.826 19027
1698 1 6 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.604 0.069 19027
1699 1 6 . 1 1 41 41 ASP C C 41 177.521 177.521 178.435 -0.914 19027
1700 1 6 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.791 -0.216 19027
1701 1 6 . 1 1 41 41 ASP CB C 41 42.949 42.949 40.963 1.986 19027
1702 1 6 . 1 1 41 41 ASP H H 41 8.514 8.514 8.256 0.258 19027
1703 1 6 . 1 1 42 42 CYS N N 42 120.989 120.989 118.872 2.117 19027
1704 1 6 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.035 0.540 19027
1705 1 6 . 1 1 42 42 CYS C C 42 176.608 176.608 176.522 0.086 19027
1706 1 6 . 1 1 42 42 CYS CA C 42 60.702 60.702 62.145 -1.444 19027
1707 1 6 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.322 5.003 19027
1708 1 6 . 1 1 42 42 CYS H H 42 8.489 8.489 8.108 0.381 19027
1709 1 6 . 1 1 43 43 SER N N 43 114.015 114.015 116.246 -2.231 19027
1710 1 6 . 1 1 43 43 SER HA H 43 4.552 4.552 4.263 0.289 19027
1711 1 6 . 1 1 43 43 SER C C 43 174.781 174.781 175.184 -0.403 19027
1712 1 6 . 1 1 43 43 SER CA C 43 60.651 60.651 61.082 -0.431 19027
1713 1 6 . 1 1 43 43 SER CB C 43 63.609 63.609 62.933 0.676 19027
1714 1 6 . 1 1 43 43 SER H H 43 7.259 7.259 7.896 -0.637 19027
1715 1 6 . 1 1 44 44 VAL N N 44 113.888 113.888 113.668 0.220 19027
1716 1 6 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.436 -0.045 19027
1717 1 6 . 1 1 44 44 VAL C C 44 176.216 176.216 174.945 1.271 19027
1718 1 6 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.056 2.128 19027
1719 1 6 . 1 1 44 44 VAL CB C 44 33.595 33.595 31.649 1.946 19027
1720 1 6 . 1 1 44 44 VAL H H 44 8.640 8.640 7.545 1.095 19027
1721 1 6 . 1 1 45 45 ARG N N 45 119.350 119.350 121.626 -2.276 19027
1722 1 6 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.541 0.185 19027
1723 1 6 . 1 1 45 45 ARG C C 45 174.378 174.378 175.268 -0.890 19027
1724 1 6 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.671 -0.179 19027
1725 1 6 . 1 1 45 45 ARG CB C 45 34.247 34.247 32.885 1.362 19027
1726 1 6 . 1 1 45 45 ARG H H 45 6.674 6.674 7.973 -1.299 19027
1727 1 6 . 1 1 46 46 GLU N N 46 122.707 122.707 123.537 -0.830 19027
1728 1 6 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.285 0.510 19027
1729 1 6 . 1 1 46 46 GLU C C 46 176.797 176.797 177.892 -1.095 19027
1730 1 6 . 1 1 46 46 GLU CA C 46 55.819 55.819 56.903 -1.083 19027
1731 1 6 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.478 3.510 19027
1732 1 6 . 1 1 46 46 GLU H H 46 9.287 9.287 8.575 0.712 19027
1733 1 6 . 1 1 47 47 LYS N N 47 121.213 121.213 124.230 -3.017 19027
1734 1 6 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.156 -0.523 19027
1735 1 6 . 1 1 47 47 LYS C C 47 179.071 179.071 178.898 0.173 19027
1736 1 6 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.322 2.426 19027
1737 1 6 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.436 2.648 19027
1738 1 6 . 1 1 47 47 LYS H H 47 8.229 8.229 8.817 -0.588 19027
1739 1 6 . 1 1 48 48 VAL N N 48 112.335 112.335 118.383 -6.048 19027
1740 1 6 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.874 0.214 19027
1741 1 6 . 1 1 48 48 VAL C C 48 175.267 175.267 176.289 -1.022 19027
1742 1 6 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.614 0.409 19027
1743 1 6 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.446 0.979 19027
1744 1 6 . 1 1 48 48 VAL H H 48 7.813 7.813 7.963 -0.150 19027
1745 1 6 . 1 1 49 49 ASP N N 49 118.790 118.790 118.909 -0.119 19027
1746 1 6 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.422 0.457 19027
1747 1 6 . 1 1 49 49 ASP C C 49 177.232 177.232 176.445 0.787 19027
1748 1 6 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.960 -0.060 19027
1749 1 6 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.222 3.070 19027
1750 1 6 . 1 1 49 49 ASP H H 49 8.360 8.360 7.832 0.528 19027
1751 1 6 . 1 1 50 50 PHE N N 50 121.477 121.477 119.347 2.130 19027
1752 1 6 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.408 0.120 19027
1753 1 6 . 1 1 50 50 PHE C C 50 176.351 176.351 175.586 0.765 19027
1754 1 6 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.900 0.676 19027
1755 1 6 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.492 1.881 19027
1756 1 6 . 1 1 50 50 PHE H H 50 8.227 8.227 7.727 0.500 19027
1757 1 6 . 1 1 51 51 GLU N N 51 120.869 120.869 122.127 -1.258 19027
1758 1 6 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.700 -0.117 19027
1759 1 6 . 1 1 51 51 GLU C C 51 175.785 175.785 175.213 0.572 19027
1760 1 6 . 1 1 51 51 GLU CA C 51 55.664 55.664 54.778 0.886 19027
1761 1 6 . 1 1 51 51 GLU CB C 51 33.082 33.082 33.182 -0.100 19027
1762 1 6 . 1 1 51 51 GLU H H 51 9.170 9.170 8.524 0.646 19027
1763 1 6 . 1 1 52 52 ARG N N 52 126.629 126.629 124.208 2.421 19027
1764 1 6 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.039 -0.382 19027
1765 1 6 . 1 1 52 52 ARG C C 52 176.531 176.531 176.478 0.053 19027
1766 1 6 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.315 2.046 19027
1767 1 6 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.094 1.300 19027
1768 1 6 . 1 1 52 52 ARG H H 52 8.810 8.810 8.404 0.406 19027
1769 1 6 . 1 1 53 53 MET N N 53 127.146 127.146 125.290 1.856 19027
1770 1 6 . 1 1 53 53 MET HA H 53 4.358 4.358 4.422 -0.064 19027
1771 1 6 . 1 1 53 53 MET C C 53 176.545 176.545 175.478 1.067 19027
1772 1 6 . 1 1 53 53 MET CA C 53 56.209 56.209 55.683 0.526 19027
1773 1 6 . 1 1 53 53 MET CB C 53 33.611 33.611 32.902 0.709 19027
1774 1 6 . 1 1 53 53 MET H H 53 8.561 8.561 8.381 0.180 19027
1775 1 6 . 1 1 54 54 GLY N N 54 109.727 109.727 108.921 0.806 19027
1776 1 6 . 1 1 54 54 GLY C C 54 174.379 174.379 174.000 0.379 19027
1777 1 6 . 1 1 54 54 GLY CA C 54 46.320 46.320 43.833 2.487 19027
1778 1 6 . 1 1 54 54 GLY H H 54 8.286 8.286 8.314 -0.028 19027
1779 1 6 . 1 1 55 55 GLY N N 55 109.085 109.085 107.273 1.812 19027
1780 1 6 . 1 1 55 55 GLY C C 55 173.142 173.142 173.714 -0.572 19027
1781 1 6 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.034 1.188 19027
1782 1 6 . 1 1 55 55 GLY H H 55 8.242 8.242 8.723 -0.481 19027
1783 1 7 . 1 1 2 2 THR N N 2 119.701 119.701 119.326 0.375 19027
1784 1 7 . 1 1 2 2 THR HA H 2 4.410 4.410 4.454 -0.044 19027
1785 1 7 . 1 1 2 2 THR C C 2 171.369 171.369 173.329 -1.960 19027
1786 1 7 . 1 1 2 2 THR CA C 2 61.966 61.966 62.485 -0.519 19027
1787 1 7 . 1 1 2 2 THR CB C 2 71.197 71.197 69.656 1.541 19027
1788 1 7 . 1 1 2 2 THR H H 2 9.154 9.154 8.494 0.660 19027
1789 1 7 . 1 1 3 3 ALA N N 3 125.223 125.223 127.372 -2.149 19027
1790 1 7 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.775 0.710 19027
1791 1 7 . 1 1 3 3 ALA C C 3 174.550 174.550 175.032 -0.482 19027
1792 1 7 . 1 1 3 3 ALA CA C 3 51.136 51.136 51.977 -0.841 19027
1793 1 7 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.000 2.236 19027
1794 1 7 . 1 1 3 3 ALA H H 3 8.067 8.067 8.023 0.044 19027
1795 1 7 . 1 1 4 4 TYR N N 4 119.327 119.327 123.435 -4.108 19027
1796 1 7 . 1 1 4 4 TYR HA H 4 4.834 4.834 4.681 0.153 19027
1797 1 7 . 1 1 4 4 TYR C C 4 174.331 174.331 174.452 -0.121 19027
1798 1 7 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.876 -0.084 19027
1799 1 7 . 1 1 4 4 TYR CB C 4 44.073 44.073 41.317 2.756 19027
1800 1 7 . 1 1 4 4 TYR H H 4 9.008 9.008 8.629 0.379 19027
1801 1 7 . 1 1 5 5 ARG N N 5 122.617 122.617 124.491 -1.874 19027
1802 1 7 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.724 0.758 19027
1803 1 7 . 1 1 5 5 ARG C C 5 174.456 174.456 174.155 0.301 19027
1804 1 7 . 1 1 5 5 ARG CA C 5 54.571 54.571 56.071 -1.500 19027
1805 1 7 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.136 4.342 19027
1806 1 7 . 1 1 5 5 ARG H H 5 9.374 9.374 8.614 0.760 19027
1807 1 7 . 1 1 6 6 CYS N N 6 131.493 131.493 124.997 6.496 19027
1808 1 7 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.601 -1.295 19027
1809 1 7 . 1 1 6 6 CYS CA C 6 57.218 57.218 55.544 1.675 19027
1810 1 7 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.298 2.314 19027
1811 1 7 . 1 1 6 6 CYS H H 6 9.180 9.180 9.027 0.153 19027
1812 1 7 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.500 -0.117 19027
1813 1 7 . 1 1 7 7 PRO C C 7 177.281 177.281 176.122 1.159 19027
1814 1 7 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.784 0.915 19027
1815 1 7 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.752 1.386 19027
1816 1 7 . 1 1 8 8 VAL N N 8 125.048 125.048 116.366 8.682 19027
1817 1 7 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.784 0.081 19027
1818 1 7 . 1 1 8 8 VAL C C 8 177.405 177.405 176.353 1.052 19027
1819 1 7 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.046 2.178 19027
1820 1 7 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.320 1.961 19027
1821 1 7 . 1 1 8 8 VAL H H 8 9.396 9.396 7.967 1.429 19027
1822 1 7 . 1 1 9 9 CYS N N 9 121.339 121.339 114.226 7.113 19027
1823 1 7 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.830 0.013 19027
1824 1 7 . 1 1 9 9 CYS C C 9 176.232 176.232 173.539 2.693 19027
1825 1 7 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.389 1.483 19027
1826 1 7 . 1 1 9 9 CYS CB C 9 33.899 33.899 31.201 2.698 19027
1827 1 7 . 1 1 9 9 CYS H H 9 8.536 8.536 7.520 1.016 19027
1828 1 7 . 1 1 10 10 ASP N N 10 118.066 118.066 117.290 0.776 19027
1829 1 7 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.794 -0.563 19027
1830 1 7 . 1 1 10 10 ASP C C 10 175.398 175.398 175.209 0.189 19027
1831 1 7 . 1 1 10 10 ASP CA C 10 58.005 58.005 52.982 5.023 19027
1832 1 7 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.764 -1.444 19027
1833 1 7 . 1 1 10 10 ASP H H 10 7.829 7.829 7.804 0.025 19027
1834 1 7 . 1 1 11 11 TYR N N 11 127.926 127.926 118.374 9.552 19027
1835 1 7 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.197 -0.034 19027
1836 1 7 . 1 1 11 11 TYR C C 11 174.865 174.865 175.780 -0.915 19027
1837 1 7 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.464 3.175 19027
1838 1 7 . 1 1 11 11 TYR CB C 11 40.242 40.242 38.942 1.300 19027
1839 1 7 . 1 1 11 11 TYR H H 11 9.158 9.158 8.550 0.608 19027
1840 1 7 . 1 1 12 12 THR N N 12 122.867 122.867 113.388 9.479 19027
1841 1 7 . 1 1 12 12 THR HA H 12 5.097 5.097 4.443 0.654 19027
1842 1 7 . 1 1 12 12 THR C C 12 172.419 172.419 173.231 -0.812 19027
1843 1 7 . 1 1 12 12 THR CA C 12 61.689 61.689 61.303 0.386 19027
1844 1 7 . 1 1 12 12 THR CB C 12 72.538 72.538 70.133 2.405 19027
1845 1 7 . 1 1 12 12 THR H H 12 7.803 7.803 7.926 -0.123 19027
1846 1 7 . 1 1 13 13 TYR N N 13 128.551 128.551 124.986 3.565 19027
1847 1 7 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.740 -0.242 19027
1848 1 7 . 1 1 13 13 TYR C C 13 172.434 172.434 174.613 -2.179 19027
1849 1 7 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.836 1.101 19027
1850 1 7 . 1 1 13 13 TYR CB C 13 41.423 41.423 40.455 0.968 19027
1851 1 7 . 1 1 13 13 TYR H H 13 9.633 9.633 8.510 1.123 19027
1852 1 7 . 1 1 14 14 ASP N N 14 130.010 130.010 124.558 5.452 19027
1853 1 7 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.695 0.077 19027
1854 1 7 . 1 1 14 14 ASP C C 14 175.913 175.913 176.974 -1.061 19027
1855 1 7 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.981 -1.162 19027
1856 1 7 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.474 2.409 19027
1857 1 7 . 1 1 14 14 ASP H H 14 8.871 8.871 8.334 0.537 19027
1858 1 7 . 1 1 15 15 GLU N N 15 124.543 124.543 126.105 -1.562 19027
1859 1 7 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.044 -0.173 19027
1860 1 7 . 1 1 15 15 GLU C C 15 177.377 177.377 178.778 -1.401 19027
1861 1 7 . 1 1 15 15 GLU CA C 15 59.851 59.851 60.157 -0.306 19027
1862 1 7 . 1 1 15 15 GLU CB C 15 33.567 33.567 30.046 3.521 19027
1863 1 7 . 1 1 15 15 GLU H H 15 8.513 8.513 8.739 -0.226 19027
1864 1 7 . 1 1 16 16 GLY N N 16 101.955 101.955 105.182 -3.227 19027
1865 1 7 . 1 1 16 16 GLY C C 16 175.805 175.805 175.626 0.179 19027
1866 1 7 . 1 1 16 16 GLY CA C 16 47.481 47.481 46.384 1.097 19027
1867 1 7 . 1 1 16 16 GLY H H 16 8.415 8.415 8.222 0.193 19027
1868 1 7 . 1 1 17 17 LYS N N 17 118.967 118.967 120.734 -1.767 19027
1869 1 7 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.174 0.069 19027
1870 1 7 . 1 1 17 17 LYS C C 17 178.731 178.731 177.745 0.986 19027
1871 1 7 . 1 1 17 17 LYS CA C 17 57.830 57.830 57.818 0.012 19027
1872 1 7 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.301 2.076 19027
1873 1 7 . 1 1 17 17 LYS H H 17 7.518 7.518 7.543 -0.025 19027
1874 1 7 . 1 1 18 18 GLY N N 18 105.920 105.920 106.653 -0.733 19027
1875 1 7 . 1 1 18 18 GLY C C 18 174.014 174.014 173.894 0.120 19027
1876 1 7 . 1 1 18 18 GLY CA C 18 45.196 45.196 44.896 0.300 19027
1877 1 7 . 1 1 18 18 GLY H H 18 8.340 8.340 8.020 0.320 19027
1878 1 7 . 1 1 19 19 ASP N N 19 115.186 115.186 121.058 -5.872 19027
1879 1 7 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.463 0.536 19027
1880 1 7 . 1 1 19 19 ASP CA C 19 53.849 53.849 53.812 0.037 19027
1881 1 7 . 1 1 19 19 ASP CB C 19 42.778 42.778 40.817 1.961 19027
1882 1 7 . 1 1 19 19 ASP H H 19 9.398 9.398 8.096 1.302 19027
1883 1 7 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.346 -0.261 19027
1884 1 7 . 1 1 20 20 PRO C C 20 179.781 179.781 178.355 1.426 19027
1885 1 7 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.475 1.223 19027
1886 1 7 . 1 1 20 20 PRO CB C 20 33.153 33.153 31.994 1.159 19027
1887 1 7 . 1 1 21 21 ARG N N 21 119.558 119.558 118.709 0.849 19027
1888 1 7 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.080 -0.045 19027
1889 1 7 . 1 1 21 21 ARG C C 21 178.035 178.035 177.048 0.987 19027
1890 1 7 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.434 1.593 19027
1891 1 7 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.354 1.438 19027
1892 1 7 . 1 1 21 21 ARG H H 21 8.130 8.130 8.219 -0.089 19027
1893 1 7 . 1 1 22 22 GLU N N 22 115.743 115.743 117.293 -1.550 19027
1894 1 7 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.298 -0.210 19027
1895 1 7 . 1 1 22 22 GLU C C 22 175.223 175.223 176.288 -1.065 19027
1896 1 7 . 1 1 22 22 GLU CA C 22 55.606 55.606 54.795 0.811 19027
1897 1 7 . 1 1 22 22 GLU CB C 22 32.615 32.615 29.001 3.614 19027
1898 1 7 . 1 1 22 22 GLU H H 22 7.351 7.351 7.407 -0.056 19027
1899 1 7 . 1 1 23 23 GLY N N 23 104.201 104.201 106.647 -2.446 19027
1900 1 7 . 1 1 23 23 GLY C C 23 173.653 173.653 173.760 -0.107 19027
1901 1 7 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.531 0.620 19027
1902 1 7 . 1 1 23 23 GLY H H 23 7.418 7.418 7.600 -0.182 19027
1903 1 7 . 1 1 24 24 PHE N N 24 119.913 119.913 119.292 0.621 19027
1904 1 7 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.821 0.527 19027
1905 1 7 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.269 -1.843 19027
1906 1 7 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.614 0.565 19027
1907 1 7 . 1 1 24 24 PHE H H 24 7.332 7.332 7.189 0.143 19027
1908 1 7 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.438 -0.058 19027
1909 1 7 . 1 1 25 25 PRO C C 25 176.423 176.423 176.373 0.050 19027
1910 1 7 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.302 0.862 19027
1911 1 7 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.228 1.545 19027
1912 1 7 . 1 1 26 26 ALA N N 26 125.017 125.017 122.211 2.806 19027
1913 1 7 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.958 -0.548 19027
1914 1 7 . 1 1 26 26 ALA C C 26 177.828 177.828 178.524 -0.696 19027
1915 1 7 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.485 1.869 19027
1916 1 7 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.743 0.107 19027
1917 1 7 . 1 1 26 26 ALA H H 26 8.807 8.807 8.337 0.470 19027
1918 1 7 . 1 1 27 27 GLY N N 27 112.134 112.134 113.073 -0.939 19027
1919 1 7 . 1 1 27 27 GLY C C 27 174.600 174.600 174.952 -0.352 19027
1920 1 7 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.810 1.578 19027
1921 1 7 . 1 1 27 27 GLY H H 27 8.047 8.047 8.701 -0.654 19027
1922 1 7 . 1 1 28 28 THR N N 28 117.918 117.918 120.828 -2.910 19027
1923 1 7 . 1 1 28 28 THR HA H 28 3.864 3.864 3.920 -0.056 19027
1924 1 7 . 1 1 28 28 THR C C 28 174.146 174.146 174.182 -0.036 19027
1925 1 7 . 1 1 28 28 THR CA C 28 65.904 65.904 64.221 1.683 19027
1926 1 7 . 1 1 28 28 THR CB C 28 68.895 68.895 68.783 0.112 19027
1927 1 7 . 1 1 28 28 THR H H 28 7.629 7.629 7.891 -0.262 19027
1928 1 7 . 1 1 29 29 ARG N N 29 129.298 129.298 126.983 2.315 19027
1929 1 7 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.351 -0.118 19027
1930 1 7 . 1 1 29 29 ARG C C 29 177.469 177.469 177.672 -0.203 19027
1931 1 7 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.504 0.566 19027
1932 1 7 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.845 1.532 19027
1933 1 7 . 1 1 29 29 ARG H H 29 8.621 8.621 8.169 0.452 19027
1934 1 7 . 1 1 30 30 TRP N N 30 123.961 123.961 123.324 0.637 19027
1935 1 7 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.133 -0.148 19027
1936 1 7 . 1 1 30 30 TRP C C 30 178.407 178.407 176.989 1.418 19027
1937 1 7 . 1 1 30 30 TRP CA C 30 60.243 60.243 59.227 1.016 19027
1938 1 7 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.526 3.687 19027
1939 1 7 . 1 1 30 30 TRP H H 30 10.310 10.310 8.674 1.636 19027
1940 1 7 . 1 1 31 31 ASP N N 31 111.781 111.781 118.812 -7.031 19027
1941 1 7 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.081 0.012 19027
1942 1 7 . 1 1 31 31 ASP C C 31 176.435 176.435 177.017 -0.582 19027
1943 1 7 . 1 1 31 31 ASP CA C 31 56.056 56.056 56.142 -0.086 19027
1944 1 7 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.668 1.071 19027
1945 1 7 . 1 1 31 31 ASP H H 31 8.042 8.042 7.122 0.920 19027
1946 1 7 . 1 1 32 32 GLN N N 32 117.006 117.006 116.469 0.537 19027
1947 1 7 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.013 -0.064 19027
1948 1 7 . 1 1 32 32 GLN C C 32 175.655 175.655 176.641 -0.986 19027
1949 1 7 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.411 -0.129 19027
1950 1 7 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.747 2.120 19027
1951 1 7 . 1 1 32 32 GLN H H 32 7.787 7.787 7.454 0.333 19027
1952 1 7 . 1 1 33 33 ILE N N 33 125.130 125.130 121.521 3.609 19027
1953 1 7 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.531 -0.225 19027
1954 1 7 . 1 1 33 33 ILE CA C 33 59.158 59.158 60.380 -1.222 19027
1955 1 7 . 1 1 33 33 ILE CB C 33 38.472 38.472 37.085 1.387 19027
1956 1 7 . 1 1 33 33 ILE H H 33 6.746 6.746 7.247 -0.501 19027
1957 1 7 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.533 -0.466 19027
1958 1 7 . 1 1 34 34 PRO C C 34 176.375 176.375 177.413 -1.038 19027
1959 1 7 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.767 1.552 19027
1960 1 7 . 1 1 34 34 PRO CB C 34 33.598 33.598 31.932 1.666 19027
1961 1 7 . 1 1 35 35 ASP N N 35 119.176 119.176 122.845 -3.669 19027
1962 1 7 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.357 -0.287 19027
1963 1 7 . 1 1 35 35 ASP C C 35 175.841 175.841 176.371 -0.530 19027
1964 1 7 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.863 2.121 19027
1965 1 7 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.275 1.388 19027
1966 1 7 . 1 1 35 35 ASP H H 35 8.323 8.323 8.794 -0.471 19027
1967 1 7 . 1 1 36 36 ASP N N 36 113.960 113.960 118.903 -4.943 19027
1968 1 7 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.625 -0.141 19027
1969 1 7 . 1 1 36 36 ASP C C 36 175.704 175.704 176.160 -0.456 19027
1970 1 7 . 1 1 36 36 ASP CA C 36 53.225 53.225 53.856 -0.631 19027
1971 1 7 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.983 -0.629 19027
1972 1 7 . 1 1 36 36 ASP H H 36 8.035 8.035 8.183 -0.148 19027
1973 1 7 . 1 1 37 37 TRP N N 37 123.373 123.373 120.983 2.390 19027
1974 1 7 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.419 -0.244 19027
1975 1 7 . 1 1 37 37 TRP C C 37 174.365 174.365 176.336 -1.971 19027
1976 1 7 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.754 2.691 19027
1977 1 7 . 1 1 37 37 TRP CB C 37 30.338 30.338 29.839 0.499 19027
1978 1 7 . 1 1 37 37 TRP H H 37 7.524 7.524 7.608 -0.084 19027
1979 1 7 . 1 1 38 38 CYS N N 38 122.179 122.179 124.889 -2.710 19027
1980 1 7 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.572 -0.019 19027
1981 1 7 . 1 1 38 38 CYS C C 38 170.825 170.825 174.177 -3.352 19027
1982 1 7 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.416 -1.946 19027
1983 1 7 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.915 2.861 19027
1984 1 7 . 1 1 38 38 CYS H H 38 6.987 6.987 8.261 -1.274 19027
1985 1 7 . 1 1 39 39 CYS N N 39 122.613 122.613 123.219 -0.606 19027
1986 1 7 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.912 -1.327 19027
1987 1 7 . 1 1 39 39 CYS CA C 39 58.215 58.215 55.778 2.437 19027
1988 1 7 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.145 2.445 19027
1989 1 7 . 1 1 39 39 CYS H H 39 8.053 8.053 8.520 -0.467 19027
1990 1 7 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.318 -0.329 19027
1991 1 7 . 1 1 40 40 PRO C C 40 176.898 176.898 176.863 0.035 19027
1992 1 7 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.085 -0.525 19027
1993 1 7 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.434 1.091 19027
1994 1 7 . 1 1 41 41 ASP N N 41 122.580 122.580 119.070 3.510 19027
1995 1 7 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.548 0.125 19027
1996 1 7 . 1 1 41 41 ASP C C 41 177.521 177.521 178.635 -1.114 19027
1997 1 7 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.560 0.015 19027
1998 1 7 . 1 1 41 41 ASP CB C 41 42.949 42.949 40.657 2.292 19027
1999 1 7 . 1 1 41 41 ASP H H 41 8.514 8.514 8.196 0.318 19027
2000 1 7 . 1 1 42 42 CYS N N 42 120.989 120.989 119.655 1.334 19027
2001 1 7 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.164 0.411 19027
2002 1 7 . 1 1 42 42 CYS C C 42 176.608 176.608 177.244 -0.636 19027
2003 1 7 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.915 -1.213 19027
2004 1 7 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.742 4.583 19027
2005 1 7 . 1 1 42 42 CYS H H 42 8.489 8.489 8.327 0.162 19027
2006 1 7 . 1 1 43 43 SER N N 43 114.015 114.015 116.986 -2.971 19027
2007 1 7 . 1 1 43 43 SER HA H 43 4.552 4.552 4.324 0.228 19027
2008 1 7 . 1 1 43 43 SER C C 43 174.781 174.781 175.323 -0.542 19027
2009 1 7 . 1 1 43 43 SER CA C 43 60.651 60.651 61.388 -0.737 19027
2010 1 7 . 1 1 43 43 SER CB C 43 63.609 63.609 62.894 0.716 19027
2011 1 7 . 1 1 43 43 SER H H 43 7.259 7.259 8.102 -0.843 19027
2012 1 7 . 1 1 44 44 VAL N N 44 113.888 113.888 113.910 -0.022 19027
2013 1 7 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.474 -0.083 19027
2014 1 7 . 1 1 44 44 VAL C C 44 176.216 176.216 174.981 1.235 19027
2015 1 7 . 1 1 44 44 VAL CA C 44 63.184 63.184 60.808 2.376 19027
2016 1 7 . 1 1 44 44 VAL CB C 44 33.595 33.595 32.015 1.580 19027
2017 1 7 . 1 1 44 44 VAL H H 44 8.640 8.640 7.606 1.034 19027
2018 1 7 . 1 1 45 45 ARG N N 45 119.350 119.350 120.812 -1.462 19027
2019 1 7 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.650 0.076 19027
2020 1 7 . 1 1 45 45 ARG C C 45 174.378 174.378 175.267 -0.889 19027
2021 1 7 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.708 -0.216 19027
2022 1 7 . 1 1 45 45 ARG CB C 45 34.247 34.247 33.109 1.138 19027
2023 1 7 . 1 1 45 45 ARG H H 45 6.674 6.674 7.908 -1.234 19027
2024 1 7 . 1 1 46 46 GLU N N 46 122.707 122.707 123.848 -1.141 19027
2025 1 7 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.148 0.647 19027
2026 1 7 . 1 1 46 46 GLU C C 46 176.797 176.797 178.045 -1.248 19027
2027 1 7 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.492 -1.673 19027
2028 1 7 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.558 3.430 19027
2029 1 7 . 1 1 46 46 GLU H H 46 9.287 9.287 8.491 0.796 19027
2030 1 7 . 1 1 47 47 LYS N N 47 121.213 121.213 123.998 -2.785 19027
2031 1 7 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.106 -0.473 19027
2032 1 7 . 1 1 47 47 LYS C C 47 179.071 179.071 178.772 0.299 19027
2033 1 7 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.359 2.389 19027
2034 1 7 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.431 2.653 19027
2035 1 7 . 1 1 47 47 LYS H H 47 8.229 8.229 8.841 -0.612 19027
2036 1 7 . 1 1 48 48 VAL N N 48 112.335 112.335 117.955 -5.620 19027
2037 1 7 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.889 0.199 19027
2038 1 7 . 1 1 48 48 VAL C C 48 175.267 175.267 175.985 -0.718 19027
2039 1 7 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.131 0.892 19027
2040 1 7 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.391 1.034 19027
2041 1 7 . 1 1 48 48 VAL H H 48 7.813 7.813 7.937 -0.124 19027
2042 1 7 . 1 1 49 49 ASP N N 49 118.790 118.790 119.031 -0.241 19027
2043 1 7 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.499 0.380 19027
2044 1 7 . 1 1 49 49 ASP C C 49 177.232 177.232 177.249 -0.017 19027
2045 1 7 . 1 1 49 49 ASP CA C 49 55.900 55.900 56.070 -0.170 19027
2046 1 7 . 1 1 49 49 ASP CB C 49 44.292 44.292 40.742 3.550 19027
2047 1 7 . 1 1 49 49 ASP H H 49 8.360 8.360 7.974 0.386 19027
2048 1 7 . 1 1 50 50 PHE N N 50 121.477 121.477 118.895 2.582 19027
2049 1 7 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.241 0.287 19027
2050 1 7 . 1 1 50 50 PHE C C 50 176.351 176.351 175.984 0.367 19027
2051 1 7 . 1 1 50 50 PHE CA C 50 60.576 60.576 60.406 0.170 19027
2052 1 7 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.633 1.740 19027
2053 1 7 . 1 1 50 50 PHE H H 50 8.227 8.227 7.670 0.557 19027
2054 1 7 . 1 1 51 51 GLU N N 51 120.869 120.869 120.660 0.209 19027
2055 1 7 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.600 -0.017 19027
2056 1 7 . 1 1 51 51 GLU C C 51 175.785 175.785 175.857 -0.072 19027
2057 1 7 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.474 0.190 19027
2058 1 7 . 1 1 51 51 GLU CB C 51 33.082 33.082 31.410 1.672 19027
2059 1 7 . 1 1 51 51 GLU H H 51 9.170 9.170 8.751 0.419 19027
2060 1 7 . 1 1 52 52 ARG N N 52 126.629 126.629 125.112 1.517 19027
2061 1 7 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.299 -0.642 19027
2062 1 7 . 1 1 52 52 ARG C C 52 176.531 176.531 176.069 0.462 19027
2063 1 7 . 1 1 52 52 ARG CA C 52 57.361 57.361 56.117 1.244 19027
2064 1 7 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.607 0.787 19027
2065 1 7 . 1 1 52 52 ARG H H 52 8.810 8.810 8.518 0.292 19027
2066 1 7 . 1 1 53 53 MET N N 53 127.146 127.146 123.764 3.382 19027
2067 1 7 . 1 1 53 53 MET HA H 53 4.358 4.358 4.486 -0.128 19027
2068 1 7 . 1 1 53 53 MET C C 53 176.545 176.545 176.829 -0.284 19027
2069 1 7 . 1 1 53 53 MET CA C 53 56.209 56.209 55.056 1.153 19027
2070 1 7 . 1 1 53 53 MET CB C 53 33.611 33.611 32.420 1.191 19027
2071 1 7 . 1 1 53 53 MET H H 53 8.561 8.561 7.837 0.724 19027
2072 1 7 . 1 1 54 54 GLY N N 54 109.727 109.727 110.463 -0.736 19027
2073 1 7 . 1 1 54 54 GLY C C 54 174.379 174.379 173.713 0.666 19027
2074 1 7 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.439 1.881 19027
2075 1 7 . 1 1 54 54 GLY H H 54 8.286 8.286 8.416 -0.130 19027
2076 1 7 . 1 1 55 55 GLY N N 55 109.085 109.085 109.901 -0.816 19027
2077 1 7 . 1 1 55 55 GLY C C 55 173.142 173.142 173.389 -0.247 19027
2078 1 7 . 1 1 55 55 GLY CA C 55 46.222 46.222 44.951 1.271 19027
2079 1 7 . 1 1 55 55 GLY H H 55 8.242 8.242 8.269 -0.027 19027
2080 1 8 . 1 1 2 2 THR N N 2 119.701 119.701 118.240 1.461 19027
2081 1 8 . 1 1 2 2 THR HA H 2 4.410 4.410 4.527 -0.117 19027
2082 1 8 . 1 1 2 2 THR C C 2 171.369 171.369 173.267 -1.898 19027
2083 1 8 . 1 1 2 2 THR CA C 2 61.966 61.966 61.801 0.165 19027
2084 1 8 . 1 1 2 2 THR CB C 2 71.197 71.197 69.726 1.471 19027
2085 1 8 . 1 1 2 2 THR H H 2 9.154 9.154 8.325 0.829 19027
2086 1 8 . 1 1 3 3 ALA N N 3 125.223 125.223 127.742 -2.519 19027
2087 1 8 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.578 0.907 19027
2088 1 8 . 1 1 3 3 ALA C C 3 174.550 174.550 174.963 -0.413 19027
2089 1 8 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.104 -0.968 19027
2090 1 8 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.150 2.086 19027
2091 1 8 . 1 1 3 3 ALA H H 3 8.067 8.067 7.982 0.085 19027
2092 1 8 . 1 1 4 4 TYR N N 4 119.327 119.327 123.547 -4.220 19027
2093 1 8 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.192 -0.358 19027
2094 1 8 . 1 1 4 4 TYR C C 4 174.331 174.331 174.951 -0.620 19027
2095 1 8 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.397 0.395 19027
2096 1 8 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.534 3.539 19027
2097 1 8 . 1 1 4 4 TYR H H 4 9.008 9.008 8.469 0.539 19027
2098 1 8 . 1 1 5 5 ARG N N 5 122.617 122.617 124.728 -2.111 19027
2099 1 8 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.742 0.740 19027
2100 1 8 . 1 1 5 5 ARG C C 5 174.456 174.456 174.506 -0.050 19027
2101 1 8 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.128 -0.557 19027
2102 1 8 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.265 4.213 19027
2103 1 8 . 1 1 5 5 ARG H H 5 9.374 9.374 8.064 1.310 19027
2104 1 8 . 1 1 6 6 CYS N N 6 131.493 131.493 124.487 7.006 19027
2105 1 8 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.806 -1.500 19027
2106 1 8 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.687 0.531 19027
2107 1 8 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.133 2.479 19027
2108 1 8 . 1 1 6 6 CYS H H 6 9.180 9.180 9.058 0.122 19027
2109 1 8 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.536 -0.153 19027
2110 1 8 . 1 1 7 7 PRO C C 7 177.281 177.281 176.968 0.313 19027
2111 1 8 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.913 0.786 19027
2112 1 8 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.990 1.148 19027
2113 1 8 . 1 1 8 8 VAL N N 8 125.048 125.048 115.484 9.564 19027
2114 1 8 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.795 0.070 19027
2115 1 8 . 1 1 8 8 VAL C C 8 177.405 177.405 176.243 1.162 19027
2116 1 8 . 1 1 8 8 VAL CA C 8 66.224 66.224 63.769 2.455 19027
2117 1 8 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.750 1.531 19027
2118 1 8 . 1 1 8 8 VAL H H 8 9.396 9.396 7.703 1.693 19027
2119 1 8 . 1 1 9 9 CYS N N 9 121.339 121.339 111.970 9.369 19027
2120 1 8 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.705 0.138 19027
2121 1 8 . 1 1 9 9 CYS C C 9 176.232 176.232 174.151 2.081 19027
2122 1 8 . 1 1 9 9 CYS CA C 9 59.872 59.872 57.967 1.905 19027
2123 1 8 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.173 3.726 19027
2124 1 8 . 1 1 9 9 CYS H H 9 8.536 8.536 7.296 1.240 19027
2125 1 8 . 1 1 10 10 ASP N N 10 118.066 118.066 118.935 -0.869 19027
2126 1 8 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.773 -0.542 19027
2127 1 8 . 1 1 10 10 ASP C C 10 175.398 175.398 174.980 0.418 19027
2128 1 8 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.233 4.772 19027
2129 1 8 . 1 1 10 10 ASP CB C 10 41.320 41.320 43.749 -2.429 19027
2130 1 8 . 1 1 10 10 ASP H H 10 7.829 7.829 7.595 0.234 19027
2131 1 8 . 1 1 11 11 TYR N N 11 127.926 127.926 119.601 8.325 19027
2132 1 8 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.487 -0.324 19027
2133 1 8 . 1 1 11 11 TYR C C 11 174.865 174.865 176.269 -1.404 19027
2134 1 8 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.602 3.037 19027
2135 1 8 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.100 1.142 19027
2136 1 8 . 1 1 11 11 TYR H H 11 9.158 9.158 8.467 0.691 19027
2137 1 8 . 1 1 12 12 THR N N 12 122.867 122.867 116.023 6.844 19027
2138 1 8 . 1 1 12 12 THR HA H 12 5.097 5.097 4.572 0.525 19027
2139 1 8 . 1 1 12 12 THR C C 12 172.419 172.419 173.498 -1.079 19027
2140 1 8 . 1 1 12 12 THR CA C 12 61.689 61.689 61.343 0.346 19027
2141 1 8 . 1 1 12 12 THR CB C 12 72.538 72.538 70.092 2.446 19027
2142 1 8 . 1 1 12 12 THR H H 12 7.803 7.803 8.344 -0.541 19027
2143 1 8 . 1 1 13 13 TYR N N 13 128.551 128.551 124.535 4.016 19027
2144 1 8 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.985 -0.487 19027
2145 1 8 . 1 1 13 13 TYR C C 13 172.434 172.434 173.555 -1.121 19027
2146 1 8 . 1 1 13 13 TYR CA C 13 58.937 58.937 55.815 3.122 19027
2147 1 8 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.419 2.004 19027
2148 1 8 . 1 1 13 13 TYR H H 13 9.633 9.633 7.941 1.692 19027
2149 1 8 . 1 1 14 14 ASP N N 14 130.010 130.010 124.611 5.399 19027
2150 1 8 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.624 0.148 19027
2151 1 8 . 1 1 14 14 ASP C C 14 175.913 175.913 177.303 -1.390 19027
2152 1 8 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.911 -1.092 19027
2153 1 8 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.630 2.253 19027
2154 1 8 . 1 1 14 14 ASP H H 14 8.871 8.871 8.352 0.519 19027
2155 1 8 . 1 1 15 15 GLU N N 15 124.543 124.543 125.509 -0.966 19027
2156 1 8 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.104 -0.233 19027
2157 1 8 . 1 1 15 15 GLU C C 15 177.377 177.377 179.082 -1.705 19027
2158 1 8 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.289 0.562 19027
2159 1 8 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.701 3.866 19027
2160 1 8 . 1 1 15 15 GLU H H 15 8.513 8.513 8.736 -0.223 19027
2161 1 8 . 1 1 16 16 GLY N N 16 101.955 101.955 105.364 -3.409 19027
2162 1 8 . 1 1 16 16 GLY C C 16 175.805 175.805 175.230 0.575 19027
2163 1 8 . 1 1 16 16 GLY CA C 16 47.481 47.481 46.200 1.281 19027
2164 1 8 . 1 1 16 16 GLY H H 16 8.415 8.415 8.354 0.061 19027
2165 1 8 . 1 1 17 17 LYS N N 17 118.967 118.967 120.085 -1.118 19027
2166 1 8 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.248 -0.005 19027
2167 1 8 . 1 1 17 17 LYS C C 17 178.731 178.731 177.819 0.912 19027
2168 1 8 . 1 1 17 17 LYS CA C 17 57.830 57.830 57.631 0.199 19027
2169 1 8 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.604 1.774 19027
2170 1 8 . 1 1 17 17 LYS H H 17 7.518 7.518 7.649 -0.131 19027
2171 1 8 . 1 1 18 18 GLY N N 18 105.920 105.920 106.980 -1.060 19027
2172 1 8 . 1 1 18 18 GLY C C 18 174.014 174.014 174.008 0.006 19027
2173 1 8 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.069 0.127 19027
2174 1 8 . 1 1 18 18 GLY H H 18 8.340 8.340 8.302 0.038 19027
2175 1 8 . 1 1 19 19 ASP N N 19 115.186 115.186 121.490 -6.304 19027
2176 1 8 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.529 0.470 19027
2177 1 8 . 1 1 19 19 ASP CA C 19 53.849 53.849 53.936 -0.087 19027
2178 1 8 . 1 1 19 19 ASP CB C 19 42.778 42.778 40.451 2.327 19027
2179 1 8 . 1 1 19 19 ASP H H 19 9.398 9.398 8.092 1.306 19027
2180 1 8 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.355 -0.270 19027
2181 1 8 . 1 1 20 20 PRO C C 20 179.781 179.781 178.546 1.235 19027
2182 1 8 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.418 1.280 19027
2183 1 8 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.004 1.149 19027
2184 1 8 . 1 1 21 21 ARG N N 21 119.558 119.558 119.231 0.327 19027
2185 1 8 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.057 -0.022 19027
2186 1 8 . 1 1 21 21 ARG C C 21 178.035 178.035 177.381 0.654 19027
2187 1 8 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.335 1.692 19027
2188 1 8 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.857 0.935 19027
2189 1 8 . 1 1 21 21 ARG H H 21 8.130 8.130 7.868 0.262 19027
2190 1 8 . 1 1 22 22 GLU N N 22 115.743 115.743 117.016 -1.273 19027
2191 1 8 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.355 -0.267 19027
2192 1 8 . 1 1 22 22 GLU C C 22 175.223 175.223 176.260 -1.037 19027
2193 1 8 . 1 1 22 22 GLU CA C 22 55.606 55.606 54.596 1.010 19027
2194 1 8 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.682 3.933 19027
2195 1 8 . 1 1 22 22 GLU H H 22 7.351 7.351 7.422 -0.071 19027
2196 1 8 . 1 1 23 23 GLY N N 23 104.201 104.201 106.142 -1.941 19027
2197 1 8 . 1 1 23 23 GLY C C 23 173.653 173.653 173.782 -0.129 19027
2198 1 8 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.688 0.462 19027
2199 1 8 . 1 1 23 23 GLY H H 23 7.418 7.418 7.776 -0.358 19027
2200 1 8 . 1 1 24 24 PHE N N 24 119.913 119.913 119.270 0.643 19027
2201 1 8 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.772 0.576 19027
2202 1 8 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.627 -2.201 19027
2203 1 8 . 1 1 24 24 PHE CB C 24 40.179 40.179 40.117 0.062 19027
2204 1 8 . 1 1 24 24 PHE H H 24 7.332 7.332 7.264 0.068 19027
2205 1 8 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.469 -0.089 19027
2206 1 8 . 1 1 25 25 PRO C C 25 176.423 176.423 176.591 -0.168 19027
2207 1 8 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.114 1.050 19027
2208 1 8 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.709 1.065 19027
2209 1 8 . 1 1 26 26 ALA N N 26 125.017 125.017 122.602 2.415 19027
2210 1 8 . 1 1 26 26 ALA HA H 26 3.410 3.410 4.017 -0.607 19027
2211 1 8 . 1 1 26 26 ALA C C 26 177.828 177.828 178.559 -0.731 19027
2212 1 8 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.447 1.907 19027
2213 1 8 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.798 0.052 19027
2214 1 8 . 1 1 26 26 ALA H H 26 8.807 8.807 8.442 0.365 19027
2215 1 8 . 1 1 27 27 GLY N N 27 112.134 112.134 113.133 -0.999 19027
2216 1 8 . 1 1 27 27 GLY C C 27 174.600 174.600 174.995 -0.395 19027
2217 1 8 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.772 1.616 19027
2218 1 8 . 1 1 27 27 GLY H H 27 8.047 8.047 8.793 -0.746 19027
2219 1 8 . 1 1 28 28 THR N N 28 117.918 117.918 119.122 -1.204 19027
2220 1 8 . 1 1 28 28 THR HA H 28 3.864 3.864 3.974 -0.110 19027
2221 1 8 . 1 1 28 28 THR C C 28 174.146 174.146 174.199 -0.053 19027
2222 1 8 . 1 1 28 28 THR CA C 28 65.904 65.904 63.856 2.047 19027
2223 1 8 . 1 1 28 28 THR CB C 28 68.895 68.895 68.978 -0.084 19027
2224 1 8 . 1 1 28 28 THR H H 28 7.629 7.629 7.988 -0.359 19027
2225 1 8 . 1 1 29 29 ARG N N 29 129.298 129.298 127.377 1.921 19027
2226 1 8 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.410 -0.177 19027
2227 1 8 . 1 1 29 29 ARG C C 29 177.469 177.469 177.846 -0.377 19027
2228 1 8 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.671 0.399 19027
2229 1 8 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.596 1.781 19027
2230 1 8 . 1 1 29 29 ARG H H 29 8.621 8.621 8.393 0.228 19027
2231 1 8 . 1 1 30 30 TRP N N 30 123.961 123.961 123.824 0.137 19027
2232 1 8 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.135 -0.150 19027
2233 1 8 . 1 1 30 30 TRP C C 30 178.407 178.407 177.116 1.291 19027
2234 1 8 . 1 1 30 30 TRP CA C 30 60.243 60.243 59.176 1.067 19027
2235 1 8 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.676 3.537 19027
2236 1 8 . 1 1 30 30 TRP H H 30 10.310 10.310 8.059 2.251 19027
2237 1 8 . 1 1 31 31 ASP N N 31 111.781 111.781 118.447 -6.666 19027
2238 1 8 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.340 -0.247 19027
2239 1 8 . 1 1 31 31 ASP C C 31 176.435 176.435 176.804 -0.369 19027
2240 1 8 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.188 0.868 19027
2241 1 8 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.590 1.149 19027
2242 1 8 . 1 1 31 31 ASP H H 31 8.042 8.042 7.212 0.830 19027
2243 1 8 . 1 1 32 32 GLN N N 32 117.006 117.006 116.589 0.417 19027
2244 1 8 . 1 1 32 32 GLN HA H 32 3.949 3.949 3.993 -0.044 19027
2245 1 8 . 1 1 32 32 GLN C C 32 175.655 175.655 176.437 -0.782 19027
2246 1 8 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.446 -0.164 19027
2247 1 8 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.924 1.943 19027
2248 1 8 . 1 1 32 32 GLN H H 32 7.787 7.787 7.325 0.462 19027
2249 1 8 . 1 1 33 33 ILE N N 33 125.130 125.130 121.676 3.454 19027
2250 1 8 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.764 -0.458 19027
2251 1 8 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.525 0.633 19027
2252 1 8 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.510 1.962 19027
2253 1 8 . 1 1 33 33 ILE H H 33 6.746 6.746 7.110 -0.364 19027
2254 1 8 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.518 -0.451 19027
2255 1 8 . 1 1 34 34 PRO C C 34 176.375 176.375 177.190 -0.815 19027
2256 1 8 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.642 1.677 19027
2257 1 8 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.332 1.266 19027
2258 1 8 . 1 1 35 35 ASP N N 35 119.176 119.176 123.215 -4.039 19027
2259 1 8 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.479 -0.409 19027
2260 1 8 . 1 1 35 35 ASP C C 35 175.841 175.841 176.682 -0.841 19027
2261 1 8 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.585 2.399 19027
2262 1 8 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.837 0.827 19027
2263 1 8 . 1 1 35 35 ASP H H 35 8.323 8.323 8.771 -0.448 19027
2264 1 8 . 1 1 36 36 ASP N N 36 113.960 113.960 118.647 -4.687 19027
2265 1 8 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.633 -0.149 19027
2266 1 8 . 1 1 36 36 ASP C C 36 175.704 175.704 176.945 -1.241 19027
2267 1 8 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.909 -1.684 19027
2268 1 8 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.941 -0.588 19027
2269 1 8 . 1 1 36 36 ASP H H 36 8.035 8.035 8.315 -0.280 19027
2270 1 8 . 1 1 37 37 TRP N N 37 123.373 123.373 121.320 2.053 19027
2271 1 8 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.473 -0.298 19027
2272 1 8 . 1 1 37 37 TRP C C 37 174.365 174.365 176.811 -2.446 19027
2273 1 8 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.708 2.737 19027
2274 1 8 . 1 1 37 37 TRP CB C 37 30.338 30.338 30.147 0.191 19027
2275 1 8 . 1 1 37 37 TRP H H 37 7.524 7.524 7.762 -0.238 19027
2276 1 8 . 1 1 38 38 CYS N N 38 122.179 122.179 123.253 -1.074 19027
2277 1 8 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.577 -0.024 19027
2278 1 8 . 1 1 38 38 CYS C C 38 170.825 170.825 174.349 -3.524 19027
2279 1 8 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.172 -1.702 19027
2280 1 8 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.777 2.999 19027
2281 1 8 . 1 1 38 38 CYS H H 38 6.987 6.987 8.356 -1.369 19027
2282 1 8 . 1 1 39 39 CYS N N 39 122.613 122.613 126.069 -3.456 19027
2283 1 8 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.940 -1.355 19027
2284 1 8 . 1 1 39 39 CYS CA C 39 58.215 58.215 56.121 2.094 19027
2285 1 8 . 1 1 39 39 CYS CB C 39 32.590 32.590 29.588 3.002 19027
2286 1 8 . 1 1 39 39 CYS H H 39 8.053 8.053 8.818 -0.765 19027
2287 1 8 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.328 -0.339 19027
2288 1 8 . 1 1 40 40 PRO C C 40 176.898 176.898 177.121 -0.223 19027
2289 1 8 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.329 -0.769 19027
2290 1 8 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.312 1.212 19027
2291 1 8 . 1 1 41 41 ASP N N 41 122.580 122.580 118.557 4.023 19027
2292 1 8 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.641 0.032 19027
2293 1 8 . 1 1 41 41 ASP C C 41 177.521 177.521 178.448 -0.927 19027
2294 1 8 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.830 -0.255 19027
2295 1 8 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.054 1.895 19027
2296 1 8 . 1 1 41 41 ASP H H 41 8.514 8.514 8.214 0.300 19027
2297 1 8 . 1 1 42 42 CYS N N 42 120.989 120.989 118.637 2.352 19027
2298 1 8 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.140 0.435 19027
2299 1 8 . 1 1 42 42 CYS C C 42 176.608 176.608 176.454 0.154 19027
2300 1 8 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.970 -1.268 19027
2301 1 8 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.373 4.952 19027
2302 1 8 . 1 1 42 42 CYS H H 42 8.489 8.489 8.172 0.317 19027
2303 1 8 . 1 1 43 43 SER N N 43 114.015 114.015 116.152 -2.137 19027
2304 1 8 . 1 1 43 43 SER HA H 43 4.552 4.552 4.273 0.279 19027
2305 1 8 . 1 1 43 43 SER C C 43 174.781 174.781 175.397 -0.616 19027
2306 1 8 . 1 1 43 43 SER CA C 43 60.651 60.651 61.088 -0.437 19027
2307 1 8 . 1 1 43 43 SER CB C 43 63.609 63.609 63.099 0.510 19027
2308 1 8 . 1 1 43 43 SER H H 43 7.259 7.259 7.868 -0.609 19027
2309 1 8 . 1 1 44 44 VAL N N 44 113.888 113.888 113.548 0.340 19027
2310 1 8 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.376 0.015 19027
2311 1 8 . 1 1 44 44 VAL C C 44 176.216 176.216 175.125 1.091 19027
2312 1 8 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.531 1.653 19027
2313 1 8 . 1 1 44 44 VAL CB C 44 33.595 33.595 31.428 2.167 19027
2314 1 8 . 1 1 44 44 VAL H H 44 8.640 8.640 7.695 0.945 19027
2315 1 8 . 1 1 45 45 ARG N N 45 119.350 119.350 120.138 -0.788 19027
2316 1 8 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.539 0.187 19027
2317 1 8 . 1 1 45 45 ARG C C 45 174.378 174.378 174.650 -0.272 19027
2318 1 8 . 1 1 45 45 ARG CA C 45 54.492 54.492 53.984 0.508 19027
2319 1 8 . 1 1 45 45 ARG CB C 45 34.247 34.247 34.184 0.063 19027
2320 1 8 . 1 1 45 45 ARG H H 45 6.674 6.674 7.890 -1.216 19027
2321 1 8 . 1 1 46 46 GLU N N 46 122.707 122.707 120.764 1.943 19027
2322 1 8 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.625 0.170 19027
2323 1 8 . 1 1 46 46 GLU C C 46 176.797 176.797 177.691 -0.894 19027
2324 1 8 . 1 1 46 46 GLU CA C 46 55.819 55.819 55.078 0.741 19027
2325 1 8 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.613 3.376 19027
2326 1 8 . 1 1 46 46 GLU H H 46 9.287 9.287 8.654 0.633 19027
2327 1 8 . 1 1 47 47 LYS N N 47 121.213 121.213 124.541 -3.328 19027
2328 1 8 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.198 -0.565 19027
2329 1 8 . 1 1 47 47 LYS C C 47 179.071 179.071 178.548 0.523 19027
2330 1 8 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.530 2.218 19027
2331 1 8 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.566 2.518 19027
2332 1 8 . 1 1 47 47 LYS H H 47 8.229 8.229 8.879 -0.650 19027
2333 1 8 . 1 1 48 48 VAL N N 48 112.335 112.335 117.040 -4.705 19027
2334 1 8 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.873 0.215 19027
2335 1 8 . 1 1 48 48 VAL C C 48 175.267 175.267 176.222 -0.955 19027
2336 1 8 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.078 0.945 19027
2337 1 8 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.575 0.850 19027
2338 1 8 . 1 1 48 48 VAL H H 48 7.813 7.813 8.118 -0.305 19027
2339 1 8 . 1 1 49 49 ASP N N 49 118.790 118.790 119.455 -0.665 19027
2340 1 8 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.432 0.447 19027
2341 1 8 . 1 1 49 49 ASP C C 49 177.232 177.232 176.608 0.624 19027
2342 1 8 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.742 0.158 19027
2343 1 8 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.220 3.072 19027
2344 1 8 . 1 1 49 49 ASP H H 49 8.360 8.360 7.881 0.479 19027
2345 1 8 . 1 1 50 50 PHE N N 50 121.477 121.477 119.757 1.720 19027
2346 1 8 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.274 0.254 19027
2347 1 8 . 1 1 50 50 PHE C C 50 176.351 176.351 175.509 0.842 19027
2348 1 8 . 1 1 50 50 PHE CA C 50 60.576 60.576 60.017 0.559 19027
2349 1 8 . 1 1 50 50 PHE CB C 50 41.373 41.373 38.255 3.118 19027
2350 1 8 . 1 1 50 50 PHE H H 50 8.227 8.227 7.582 0.645 19027
2351 1 8 . 1 1 51 51 GLU N N 51 120.869 120.869 124.819 -3.950 19027
2352 1 8 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.727 -0.144 19027
2353 1 8 . 1 1 51 51 GLU C C 51 175.785 175.785 175.431 0.354 19027
2354 1 8 . 1 1 51 51 GLU CA C 51 55.664 55.664 54.897 0.767 19027
2355 1 8 . 1 1 51 51 GLU CB C 51 33.082 33.082 32.510 0.572 19027
2356 1 8 . 1 1 51 51 GLU H H 51 9.170 9.170 8.168 1.002 19027
2357 1 8 . 1 1 52 52 ARG N N 52 126.629 126.629 121.548 5.081 19027
2358 1 8 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.740 -1.083 19027
2359 1 8 . 1 1 52 52 ARG C C 52 176.531 176.531 176.172 0.359 19027
2360 1 8 . 1 1 52 52 ARG CA C 52 57.361 57.361 54.958 2.403 19027
2361 1 8 . 1 1 52 52 ARG CB C 52 31.394 31.394 31.585 -0.191 19027
2362 1 8 . 1 1 52 52 ARG H H 52 8.810 8.810 8.428 0.382 19027
2363 1 8 . 1 1 53 53 MET N N 53 127.146 127.146 124.466 2.680 19027
2364 1 8 . 1 1 53 53 MET HA H 53 4.358 4.358 4.538 -0.180 19027
2365 1 8 . 1 1 53 53 MET C C 53 176.545 176.545 176.075 0.470 19027
2366 1 8 . 1 1 53 53 MET CA C 53 56.209 56.209 54.943 1.266 19027
2367 1 8 . 1 1 53 53 MET CB C 53 33.611 33.611 32.413 1.198 19027
2368 1 8 . 1 1 53 53 MET H H 53 8.561 8.561 7.842 0.719 19027
2369 1 8 . 1 1 54 54 GLY N N 54 109.727 109.727 110.219 -0.492 19027
2370 1 8 . 1 1 54 54 GLY C C 54 174.379 174.379 173.874 0.505 19027
2371 1 8 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.146 2.174 19027
2372 1 8 . 1 1 54 54 GLY H H 54 8.286 8.286 8.256 0.030 19027
2373 1 8 . 1 1 55 55 GLY N N 55 109.085 109.085 109.795 -0.710 19027
2374 1 8 . 1 1 55 55 GLY C C 55 173.142 173.142 173.803 -0.661 19027
2375 1 8 . 1 1 55 55 GLY CA C 55 46.222 46.222 44.730 1.492 19027
2376 1 8 . 1 1 55 55 GLY H H 55 8.242 8.242 8.207 0.035 19027
2377 1 9 . 1 1 2 2 THR N N 2 119.701 119.701 117.558 2.143 19027
2378 1 9 . 1 1 2 2 THR HA H 2 4.410 4.410 4.563 -0.153 19027
2379 1 9 . 1 1 2 2 THR C C 2 171.369 171.369 173.224 -1.855 19027
2380 1 9 . 1 1 2 2 THR CA C 2 61.966 61.966 62.415 -0.449 19027
2381 1 9 . 1 1 2 2 THR CB C 2 71.197 71.197 70.063 1.134 19027
2382 1 9 . 1 1 2 2 THR H H 2 9.154 9.154 8.555 0.599 19027
2383 1 9 . 1 1 3 3 ALA N N 3 125.223 125.223 127.270 -2.047 19027
2384 1 9 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.575 0.910 19027
2385 1 9 . 1 1 3 3 ALA C C 3 174.550 174.550 174.871 -0.321 19027
2386 1 9 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.073 -0.937 19027
2387 1 9 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.116 2.120 19027
2388 1 9 . 1 1 3 3 ALA H H 3 8.067 8.067 8.076 -0.009 19027
2389 1 9 . 1 1 4 4 TYR N N 4 119.327 119.327 124.103 -4.776 19027
2390 1 9 . 1 1 4 4 TYR HA H 4 4.834 4.834 4.838 -0.004 19027
2391 1 9 . 1 1 4 4 TYR C C 4 174.331 174.331 174.781 -0.450 19027
2392 1 9 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.789 0.003 19027
2393 1 9 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.721 3.352 19027
2394 1 9 . 1 1 4 4 TYR H H 4 9.008 9.008 8.567 0.441 19027
2395 1 9 . 1 1 5 5 ARG N N 5 122.617 122.617 124.626 -2.009 19027
2396 1 9 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.842 0.640 19027
2397 1 9 . 1 1 5 5 ARG C C 5 174.456 174.456 174.495 -0.039 19027
2398 1 9 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.662 -1.091 19027
2399 1 9 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.480 3.998 19027
2400 1 9 . 1 1 5 5 ARG H H 5 9.374 9.374 8.167 1.207 19027
2401 1 9 . 1 1 6 6 CYS N N 6 131.493 131.493 125.155 6.338 19027
2402 1 9 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.769 -1.463 19027
2403 1 9 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.619 0.599 19027
2404 1 9 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.107 2.505 19027
2405 1 9 . 1 1 6 6 CYS H H 6 9.180 9.180 9.087 0.093 19027
2406 1 9 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.457 -0.074 19027
2407 1 9 . 1 1 7 7 PRO C C 7 177.281 177.281 177.161 0.120 19027
2408 1 9 . 1 1 7 7 PRO CA C 7 64.699 64.699 64.183 0.516 19027
2409 1 9 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.987 1.151 19027
2410 1 9 . 1 1 8 8 VAL N N 8 125.048 125.048 111.646 13.402 19027
2411 1 9 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.823 0.042 19027
2412 1 9 . 1 1 8 8 VAL C C 8 177.405 177.405 176.063 1.342 19027
2413 1 9 . 1 1 8 8 VAL CA C 8 66.224 66.224 63.229 2.995 19027
2414 1 9 . 1 1 8 8 VAL CB C 8 33.281 33.281 29.643 3.638 19027
2415 1 9 . 1 1 8 8 VAL H H 8 9.396 9.396 7.960 1.436 19027
2416 1 9 . 1 1 9 9 CYS N N 9 121.339 121.339 116.756 4.583 19027
2417 1 9 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.556 0.287 19027
2418 1 9 . 1 1 9 9 CYS C C 9 176.232 176.232 173.799 2.433 19027
2419 1 9 . 1 1 9 9 CYS CA C 9 59.872 59.872 59.950 -0.078 19027
2420 1 9 . 1 1 9 9 CYS CB C 9 33.899 33.899 31.012 2.887 19027
2421 1 9 . 1 1 9 9 CYS H H 9 8.536 8.536 7.315 1.221 19027
2422 1 9 . 1 1 10 10 ASP N N 10 118.066 118.066 116.902 1.164 19027
2423 1 9 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.756 -0.525 19027
2424 1 9 . 1 1 10 10 ASP C C 10 175.398 175.398 175.292 0.106 19027
2425 1 9 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.093 4.912 19027
2426 1 9 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.504 -1.184 19027
2427 1 9 . 1 1 10 10 ASP H H 10 7.829 7.829 7.661 0.168 19027
2428 1 9 . 1 1 11 11 TYR N N 11 127.926 127.926 119.029 8.897 19027
2429 1 9 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.241 -0.078 19027
2430 1 9 . 1 1 11 11 TYR C C 11 174.865 174.865 176.100 -1.235 19027
2431 1 9 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.793 2.846 19027
2432 1 9 . 1 1 11 11 TYR CB C 11 40.242 40.242 38.890 1.352 19027
2433 1 9 . 1 1 11 11 TYR H H 11 9.158 9.158 8.573 0.585 19027
2434 1 9 . 1 1 12 12 THR N N 12 122.867 122.867 115.045 7.822 19027
2435 1 9 . 1 1 12 12 THR HA H 12 5.097 5.097 4.504 0.593 19027
2436 1 9 . 1 1 12 12 THR C C 12 172.419 172.419 173.120 -0.701 19027
2437 1 9 . 1 1 12 12 THR CA C 12 61.689 61.689 61.368 0.321 19027
2438 1 9 . 1 1 12 12 THR CB C 12 72.538 72.538 70.191 2.348 19027
2439 1 9 . 1 1 12 12 THR H H 12 7.803 7.803 7.853 -0.050 19027
2440 1 9 . 1 1 13 13 TYR N N 13 128.551 128.551 126.042 2.509 19027
2441 1 9 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.700 -0.202 19027
2442 1 9 . 1 1 13 13 TYR C C 13 172.434 172.434 174.251 -1.817 19027
2443 1 9 . 1 1 13 13 TYR CA C 13 58.937 58.937 57.632 1.305 19027
2444 1 9 . 1 1 13 13 TYR CB C 13 41.423 41.423 40.475 0.948 19027
2445 1 9 . 1 1 13 13 TYR H H 13 9.633 9.633 8.595 1.038 19027
2446 1 9 . 1 1 14 14 ASP N N 14 130.010 130.010 123.451 6.559 19027
2447 1 9 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.667 0.105 19027
2448 1 9 . 1 1 14 14 ASP C C 14 175.913 175.913 177.664 -1.751 19027
2449 1 9 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.769 -0.950 19027
2450 1 9 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.709 2.174 19027
2451 1 9 . 1 1 14 14 ASP H H 14 8.871 8.871 8.302 0.569 19027
2452 1 9 . 1 1 15 15 GLU N N 15 124.543 124.543 126.461 -1.918 19027
2453 1 9 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.310 -0.439 19027
2454 1 9 . 1 1 15 15 GLU C C 15 177.377 177.377 177.702 -0.325 19027
2455 1 9 . 1 1 15 15 GLU CA C 15 59.851 59.851 58.471 1.380 19027
2456 1 9 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.375 4.192 19027
2457 1 9 . 1 1 15 15 GLU H H 15 8.513 8.513 8.775 -0.262 19027
2458 1 9 . 1 1 16 16 GLY N N 16 101.955 101.955 105.133 -3.178 19027
2459 1 9 . 1 1 16 16 GLY C C 16 175.805 175.805 175.274 0.531 19027
2460 1 9 . 1 1 16 16 GLY CA C 16 47.481 47.481 45.108 2.373 19027
2461 1 9 . 1 1 16 16 GLY H H 16 8.415 8.415 8.271 0.144 19027
2462 1 9 . 1 1 17 17 LYS N N 17 118.967 118.967 122.144 -3.177 19027
2463 1 9 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.315 -0.072 19027
2464 1 9 . 1 1 17 17 LYS C C 17 178.731 178.731 177.369 1.362 19027
2465 1 9 . 1 1 17 17 LYS CA C 17 57.830 57.830 56.005 1.825 19027
2466 1 9 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.904 1.474 19027
2467 1 9 . 1 1 17 17 LYS H H 17 7.518 7.518 7.895 -0.377 19027
2468 1 9 . 1 1 18 18 GLY N N 18 105.920 105.920 109.415 -3.495 19027
2469 1 9 . 1 1 18 18 GLY C C 18 174.014 174.014 174.218 -0.204 19027
2470 1 9 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.146 0.050 19027
2471 1 9 . 1 1 18 18 GLY H H 18 8.340 8.340 7.984 0.356 19027
2472 1 9 . 1 1 19 19 ASP N N 19 115.186 115.186 121.620 -6.434 19027
2473 1 9 . 1 1 19 19 ASP HA H 19 4.999 4.999 5.018 -0.019 19027
2474 1 9 . 1 1 19 19 ASP CA C 19 53.849 53.849 51.202 2.647 19027
2475 1 9 . 1 1 19 19 ASP CB C 19 42.778 42.778 41.173 1.605 19027
2476 1 9 . 1 1 19 19 ASP H H 19 9.398 9.398 7.889 1.509 19027
2477 1 9 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.392 -0.307 19027
2478 1 9 . 1 1 20 20 PRO C C 20 179.781 179.781 178.469 1.312 19027
2479 1 9 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.209 1.489 19027
2480 1 9 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.003 1.150 19027
2481 1 9 . 1 1 21 21 ARG N N 21 119.558 119.558 118.726 0.832 19027
2482 1 9 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.226 -0.191 19027
2483 1 9 . 1 1 21 21 ARG C C 21 178.035 178.035 177.023 1.012 19027
2484 1 9 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.146 1.881 19027
2485 1 9 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.829 0.963 19027
2486 1 9 . 1 1 21 21 ARG H H 21 8.130 8.130 8.258 -0.128 19027
2487 1 9 . 1 1 22 22 GLU N N 22 115.743 115.743 118.328 -2.585 19027
2488 1 9 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.309 -0.221 19027
2489 1 9 . 1 1 22 22 GLU C C 22 175.223 175.223 175.996 -0.773 19027
2490 1 9 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.135 0.471 19027
2491 1 9 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.761 3.854 19027
2492 1 9 . 1 1 22 22 GLU H H 22 7.351 7.351 7.495 -0.144 19027
2493 1 9 . 1 1 23 23 GLY N N 23 104.201 104.201 106.614 -2.413 19027
2494 1 9 . 1 1 23 23 GLY C C 23 173.653 173.653 173.630 0.023 19027
2495 1 9 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.325 0.825 19027
2496 1 9 . 1 1 23 23 GLY H H 23 7.418 7.418 7.515 -0.097 19027
2497 1 9 . 1 1 24 24 PHE N N 24 119.913 119.913 118.466 1.447 19027
2498 1 9 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.838 0.510 19027
2499 1 9 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.469 -2.043 19027
2500 1 9 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.871 0.308 19027
2501 1 9 . 1 1 24 24 PHE H H 24 7.332 7.332 7.389 -0.057 19027
2502 1 9 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.527 -0.147 19027
2503 1 9 . 1 1 25 25 PRO C C 25 176.423 176.423 176.578 -0.155 19027
2504 1 9 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.205 0.959 19027
2505 1 9 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.376 1.397 19027
2506 1 9 . 1 1 26 26 ALA N N 26 125.017 125.017 120.585 4.432 19027
2507 1 9 . 1 1 26 26 ALA HA H 26 3.410 3.410 4.019 -0.609 19027
2508 1 9 . 1 1 26 26 ALA C C 26 177.828 177.828 179.279 -1.451 19027
2509 1 9 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.656 1.698 19027
2510 1 9 . 1 1 26 26 ALA CB C 26 18.850 18.850 19.017 -0.167 19027
2511 1 9 . 1 1 26 26 ALA H H 26 8.807 8.807 8.219 0.588 19027
2512 1 9 . 1 1 27 27 GLY N N 27 112.134 112.134 111.700 0.434 19027
2513 1 9 . 1 1 27 27 GLY C C 27 174.600 174.600 174.844 -0.244 19027
2514 1 9 . 1 1 27 27 GLY CA C 27 46.388 46.388 45.359 1.029 19027
2515 1 9 . 1 1 27 27 GLY H H 27 8.047 8.047 8.899 -0.852 19027
2516 1 9 . 1 1 28 28 THR N N 28 117.918 117.918 120.756 -2.838 19027
2517 1 9 . 1 1 28 28 THR HA H 28 3.864 3.864 4.016 -0.152 19027
2518 1 9 . 1 1 28 28 THR C C 28 174.146 174.146 174.099 0.047 19027
2519 1 9 . 1 1 28 28 THR CA C 28 65.904 65.904 63.817 2.087 19027
2520 1 9 . 1 1 28 28 THR CB C 28 68.895 68.895 68.755 0.140 19027
2521 1 9 . 1 1 28 28 THR H H 28 7.629 7.629 7.832 -0.203 19027
2522 1 9 . 1 1 29 29 ARG N N 29 129.298 129.298 126.898 2.400 19027
2523 1 9 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.498 -0.265 19027
2524 1 9 . 1 1 29 29 ARG C C 29 177.469 177.469 177.675 -0.206 19027
2525 1 9 . 1 1 29 29 ARG CA C 29 56.070 56.070 54.962 1.108 19027
2526 1 9 . 1 1 29 29 ARG CB C 29 32.377 32.377 32.124 0.253 19027
2527 1 9 . 1 1 29 29 ARG H H 29 8.621 8.621 8.341 0.280 19027
2528 1 9 . 1 1 30 30 TRP N N 30 123.961 123.961 123.547 0.414 19027
2529 1 9 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.123 -0.138 19027
2530 1 9 . 1 1 30 30 TRP C C 30 178.407 178.407 176.710 1.697 19027
2531 1 9 . 1 1 30 30 TRP CA C 30 60.243 60.243 59.033 1.210 19027
2532 1 9 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.461 3.752 19027
2533 1 9 . 1 1 30 30 TRP H H 30 10.310 10.310 8.907 1.403 19027
2534 1 9 . 1 1 31 31 ASP N N 31 111.781 111.781 119.475 -7.694 19027
2535 1 9 . 1 1 31 31 ASP HA H 31 4.093 4.093 3.811 0.282 19027
2536 1 9 . 1 1 31 31 ASP C C 31 176.435 176.435 177.028 -0.593 19027
2537 1 9 . 1 1 31 31 ASP CA C 31 56.056 56.056 56.028 0.028 19027
2538 1 9 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.630 1.109 19027
2539 1 9 . 1 1 31 31 ASP H H 31 8.042 8.042 7.293 0.749 19027
2540 1 9 . 1 1 32 32 GLN N N 32 117.006 117.006 116.506 0.500 19027
2541 1 9 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.081 -0.132 19027
2542 1 9 . 1 1 32 32 GLN C C 32 175.655 175.655 176.773 -1.118 19027
2543 1 9 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.041 0.241 19027
2544 1 9 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.791 2.075 19027
2545 1 9 . 1 1 32 32 GLN H H 32 7.787 7.787 7.568 0.219 19027
2546 1 9 . 1 1 33 33 ILE N N 33 125.130 125.130 121.720 3.410 19027
2547 1 9 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.777 -0.471 19027
2548 1 9 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.610 0.548 19027
2549 1 9 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.527 1.945 19027
2550 1 9 . 1 1 33 33 ILE H H 33 6.746 6.746 7.154 -0.408 19027
2551 1 9 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.550 -0.483 19027
2552 1 9 . 1 1 34 34 PRO C C 34 176.375 176.375 177.192 -0.817 19027
2553 1 9 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.817 1.502 19027
2554 1 9 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.169 1.429 19027
2555 1 9 . 1 1 35 35 ASP N N 35 119.176 119.176 124.689 -5.513 19027
2556 1 9 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.472 -0.402 19027
2557 1 9 . 1 1 35 35 ASP C C 35 175.841 175.841 176.814 -0.973 19027
2558 1 9 . 1 1 35 35 ASP CA C 35 57.984 57.984 56.193 1.791 19027
2559 1 9 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.539 1.124 19027
2560 1 9 . 1 1 35 35 ASP H H 35 8.323 8.323 8.865 -0.542 19027
2561 1 9 . 1 1 36 36 ASP N N 36 113.960 113.960 117.824 -3.864 19027
2562 1 9 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.586 -0.102 19027
2563 1 9 . 1 1 36 36 ASP C C 36 175.704 175.704 176.465 -0.761 19027
2564 1 9 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.781 -1.556 19027
2565 1 9 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.758 -0.405 19027
2566 1 9 . 1 1 36 36 ASP H H 36 8.035 8.035 8.255 -0.220 19027
2567 1 9 . 1 1 37 37 TRP N N 37 123.373 123.373 121.863 1.510 19027
2568 1 9 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.410 -0.235 19027
2569 1 9 . 1 1 37 37 TRP C C 37 174.365 174.365 176.578 -2.213 19027
2570 1 9 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.417 3.027 19027
2571 1 9 . 1 1 37 37 TRP CB C 37 30.338 30.338 30.042 0.296 19027
2572 1 9 . 1 1 37 37 TRP H H 37 7.524 7.524 7.707 -0.183 19027
2573 1 9 . 1 1 38 38 CYS N N 38 122.179 122.179 124.961 -2.782 19027
2574 1 9 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.599 -0.046 19027
2575 1 9 . 1 1 38 38 CYS C C 38 170.825 170.825 174.530 -3.705 19027
2576 1 9 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.515 -2.045 19027
2577 1 9 . 1 1 38 38 CYS CB C 38 31.776 31.776 27.947 3.829 19027
2578 1 9 . 1 1 38 38 CYS H H 38 6.987 6.987 8.299 -1.312 19027
2579 1 9 . 1 1 39 39 CYS N N 39 122.613 122.613 124.536 -1.923 19027
2580 1 9 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.987 -1.402 19027
2581 1 9 . 1 1 39 39 CYS CA C 39 58.215 58.215 55.702 2.513 19027
2582 1 9 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.520 2.071 19027
2583 1 9 . 1 1 39 39 CYS H H 39 8.053 8.053 8.705 -0.652 19027
2584 1 9 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.332 -0.343 19027
2585 1 9 . 1 1 40 40 PRO C C 40 176.898 176.898 176.939 -0.041 19027
2586 1 9 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.384 -0.824 19027
2587 1 9 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.198 1.326 19027
2588 1 9 . 1 1 41 41 ASP N N 41 122.580 122.580 118.033 4.547 19027
2589 1 9 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.648 0.025 19027
2590 1 9 . 1 1 41 41 ASP C C 41 177.521 177.521 178.470 -0.949 19027
2591 1 9 . 1 1 41 41 ASP CA C 41 56.575 56.575 57.033 -0.458 19027
2592 1 9 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.285 1.664 19027
2593 1 9 . 1 1 41 41 ASP H H 41 8.514 8.514 8.298 0.216 19027
2594 1 9 . 1 1 42 42 CYS N N 42 120.989 120.989 118.023 2.966 19027
2595 1 9 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.217 0.358 19027
2596 1 9 . 1 1 42 42 CYS C C 42 176.608 176.608 175.747 0.861 19027
2597 1 9 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.644 -0.942 19027
2598 1 9 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.030 5.295 19027
2599 1 9 . 1 1 42 42 CYS H H 42 8.489 8.489 8.085 0.404 19027
2600 1 9 . 1 1 43 43 SER N N 43 114.015 114.015 115.341 -1.326 19027
2601 1 9 . 1 1 43 43 SER HA H 43 4.552 4.552 4.283 0.269 19027
2602 1 9 . 1 1 43 43 SER C C 43 174.781 174.781 175.517 -0.736 19027
2603 1 9 . 1 1 43 43 SER CA C 43 60.651 60.651 61.134 -0.483 19027
2604 1 9 . 1 1 43 43 SER CB C 43 63.609 63.609 63.219 0.390 19027
2605 1 9 . 1 1 43 43 SER H H 43 7.259 7.259 7.791 -0.532 19027
2606 1 9 . 1 1 44 44 VAL N N 44 113.888 113.888 117.854 -3.966 19027
2607 1 9 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.217 0.174 19027
2608 1 9 . 1 1 44 44 VAL C C 44 176.216 176.216 175.233 0.983 19027
2609 1 9 . 1 1 44 44 VAL CA C 44 63.184 63.184 62.544 0.640 19027
2610 1 9 . 1 1 44 44 VAL CB C 44 33.595 33.595 32.917 0.678 19027
2611 1 9 . 1 1 44 44 VAL H H 44 8.640 8.640 7.548 1.092 19027
2612 1 9 . 1 1 45 45 ARG N N 45 119.350 119.350 121.650 -2.300 19027
2613 1 9 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.371 0.355 19027
2614 1 9 . 1 1 45 45 ARG C C 45 174.378 174.378 175.533 -1.155 19027
2615 1 9 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.257 0.235 19027
2616 1 9 . 1 1 45 45 ARG CB C 45 34.247 34.247 30.652 3.595 19027
2617 1 9 . 1 1 45 45 ARG H H 45 6.674 6.674 7.269 -0.595 19027
2618 1 9 . 1 1 46 46 GLU N N 46 122.707 122.707 126.233 -3.526 19027
2619 1 9 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.158 0.637 19027
2620 1 9 . 1 1 46 46 GLU C C 46 176.797 176.797 177.890 -1.093 19027
2621 1 9 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.414 -1.595 19027
2622 1 9 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.166 3.822 19027
2623 1 9 . 1 1 46 46 GLU H H 46 9.287 9.287 8.836 0.451 19027
2624 1 9 . 1 1 47 47 LYS N N 47 121.213 121.213 125.025 -3.812 19027
2625 1 9 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.186 -0.553 19027
2626 1 9 . 1 1 47 47 LYS C C 47 179.071 179.071 178.846 0.225 19027
2627 1 9 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.524 2.224 19027
2628 1 9 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.364 2.720 19027
2629 1 9 . 1 1 47 47 LYS H H 47 8.229 8.229 8.841 -0.612 19027
2630 1 9 . 1 1 48 48 VAL N N 48 112.335 112.335 117.305 -4.970 19027
2631 1 9 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.848 0.240 19027
2632 1 9 . 1 1 48 48 VAL C C 48 175.267 175.267 176.258 -0.991 19027
2633 1 9 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.591 0.432 19027
2634 1 9 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.883 0.542 19027
2635 1 9 . 1 1 48 48 VAL H H 48 7.813 7.813 8.196 -0.383 19027
2636 1 9 . 1 1 49 49 ASP N N 49 118.790 118.790 118.900 -0.110 19027
2637 1 9 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.393 0.486 19027
2638 1 9 . 1 1 49 49 ASP C C 49 177.232 177.232 176.675 0.557 19027
2639 1 9 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.816 0.084 19027
2640 1 9 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.121 3.171 19027
2641 1 9 . 1 1 49 49 ASP H H 49 8.360 8.360 7.839 0.521 19027
2642 1 9 . 1 1 50 50 PHE N N 50 121.477 121.477 119.661 1.816 19027
2643 1 9 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.285 0.243 19027
2644 1 9 . 1 1 50 50 PHE C C 50 176.351 176.351 175.255 1.096 19027
2645 1 9 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.892 0.684 19027
2646 1 9 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.186 2.187 19027
2647 1 9 . 1 1 50 50 PHE H H 50 8.227 8.227 7.603 0.624 19027
2648 1 9 . 1 1 51 51 GLU N N 51 120.869 120.869 124.830 -3.961 19027
2649 1 9 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.718 -0.135 19027
2650 1 9 . 1 1 51 51 GLU C C 51 175.785 175.785 175.918 -0.133 19027
2651 1 9 . 1 1 51 51 GLU CA C 51 55.664 55.664 54.467 1.197 19027
2652 1 9 . 1 1 51 51 GLU CB C 51 33.082 33.082 32.378 0.704 19027
2653 1 9 . 1 1 51 51 GLU H H 51 9.170 9.170 8.352 0.818 19027
2654 1 9 . 1 1 52 52 ARG N N 52 126.629 126.629 123.972 2.657 19027
2655 1 9 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.125 -0.468 19027
2656 1 9 . 1 1 52 52 ARG C C 52 176.531 176.531 175.421 1.110 19027
2657 1 9 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.633 1.728 19027
2658 1 9 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.358 1.036 19027
2659 1 9 . 1 1 52 52 ARG H H 52 8.810 8.810 8.453 0.357 19027
2660 1 9 . 1 1 53 53 MET N N 53 127.146 127.146 124.030 3.116 19027
2661 1 9 . 1 1 53 53 MET HA H 53 4.358 4.358 4.448 -0.090 19027
2662 1 9 . 1 1 53 53 MET C C 53 176.545 176.545 176.022 0.523 19027
2663 1 9 . 1 1 53 53 MET CA C 53 56.209 56.209 54.642 1.567 19027
2664 1 9 . 1 1 53 53 MET CB C 53 33.611 33.611 33.265 0.346 19027
2665 1 9 . 1 1 53 53 MET H H 53 8.561 8.561 8.493 0.068 19027
2666 1 9 . 1 1 54 54 GLY N N 54 109.727 109.727 113.664 -3.937 19027
2667 1 9 . 1 1 54 54 GLY C C 54 174.379 174.379 174.186 0.193 19027
2668 1 9 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.766 1.554 19027
2669 1 9 . 1 1 54 54 GLY H H 54 8.286 8.286 8.419 -0.133 19027
2670 1 9 . 1 1 55 55 GLY N N 55 109.085 109.085 111.619 -2.534 19027
2671 1 9 . 1 1 55 55 GLY C C 55 173.142 173.142 175.498 -2.356 19027
2672 1 9 . 1 1 55 55 GLY CA C 55 46.222 46.222 46.302 -0.080 19027
2673 1 9 . 1 1 55 55 GLY H H 55 8.242 8.242 8.922 -0.680 19027
2674 1 10 . 1 1 2 2 THR N N 2 119.701 119.701 117.571 2.130 19027
2675 1 10 . 1 1 2 2 THR HA H 2 4.410 4.410 4.429 -0.019 19027
2676 1 10 . 1 1 2 2 THR C C 2 171.369 171.369 173.183 -1.814 19027
2677 1 10 . 1 1 2 2 THR CA C 2 61.966 61.966 61.709 0.257 19027
2678 1 10 . 1 1 2 2 THR CB C 2 71.197 71.197 69.600 1.597 19027
2679 1 10 . 1 1 2 2 THR H H 2 9.154 9.154 8.382 0.772 19027
2680 1 10 . 1 1 3 3 ALA N N 3 125.223 125.223 126.801 -1.578 19027
2681 1 10 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.567 0.918 19027
2682 1 10 . 1 1 3 3 ALA C C 3 174.550 174.550 174.636 -0.086 19027
2683 1 10 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.158 -1.022 19027
2684 1 10 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.294 1.942 19027
2685 1 10 . 1 1 3 3 ALA H H 3 8.067 8.067 8.188 -0.121 19027
2686 1 10 . 1 1 4 4 TYR N N 4 119.327 119.327 123.886 -4.559 19027
2687 1 10 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.339 -0.505 19027
2688 1 10 . 1 1 4 4 TYR C C 4 174.331 174.331 175.006 -0.675 19027
2689 1 10 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.334 0.458 19027
2690 1 10 . 1 1 4 4 TYR CB C 4 44.073 44.073 39.659 4.414 19027
2691 1 10 . 1 1 4 4 TYR H H 4 9.008 9.008 8.645 0.363 19027
2692 1 10 . 1 1 5 5 ARG N N 5 122.617 122.617 124.279 -1.662 19027
2693 1 10 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.700 0.782 19027
2694 1 10 . 1 1 5 5 ARG C C 5 174.456 174.456 174.677 -0.221 19027
2695 1 10 . 1 1 5 5 ARG CA C 5 54.571 54.571 54.781 -0.210 19027
2696 1 10 . 1 1 5 5 ARG CB C 5 36.478 36.478 31.358 5.120 19027
2697 1 10 . 1 1 5 5 ARG H H 5 9.374 9.374 8.143 1.231 19027
2698 1 10 . 1 1 6 6 CYS N N 6 131.493 131.493 124.998 6.495 19027
2699 1 10 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.810 -1.504 19027
2700 1 10 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.888 0.330 19027
2701 1 10 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.645 1.967 19027
2702 1 10 . 1 1 6 6 CYS H H 6 9.180 9.180 8.981 0.199 19027
2703 1 10 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.502 -0.119 19027
2704 1 10 . 1 1 7 7 PRO C C 7 177.281 177.281 177.107 0.174 19027
2705 1 10 . 1 1 7 7 PRO CA C 7 64.699 64.699 64.142 0.557 19027
2706 1 10 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.840 1.298 19027
2707 1 10 . 1 1 8 8 VAL N N 8 125.048 125.048 110.747 14.301 19027
2708 1 10 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.845 0.020 19027
2709 1 10 . 1 1 8 8 VAL C C 8 177.405 177.405 175.997 1.408 19027
2710 1 10 . 1 1 8 8 VAL CA C 8 66.224 66.224 64.045 2.179 19027
2711 1 10 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.102 2.179 19027
2712 1 10 . 1 1 8 8 VAL H H 8 9.396 9.396 7.456 1.940 19027
2713 1 10 . 1 1 9 9 CYS N N 9 121.339 121.339 113.544 7.795 19027
2714 1 10 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.750 0.093 19027
2715 1 10 . 1 1 9 9 CYS C C 9 176.232 176.232 174.294 1.938 19027
2716 1 10 . 1 1 9 9 CYS CA C 9 59.872 59.872 57.421 2.451 19027
2717 1 10 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.296 3.603 19027
2718 1 10 . 1 1 9 9 CYS H H 9 8.536 8.536 7.260 1.276 19027
2719 1 10 . 1 1 10 10 ASP N N 10 118.066 118.066 118.816 -0.750 19027
2720 1 10 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.888 -0.657 19027
2721 1 10 . 1 1 10 10 ASP C C 10 175.398 175.398 175.068 0.330 19027
2722 1 10 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.212 4.793 19027
2723 1 10 . 1 1 10 10 ASP CB C 10 41.320 41.320 43.645 -2.325 19027
2724 1 10 . 1 1 10 10 ASP H H 10 7.829 7.829 7.623 0.206 19027
2725 1 10 . 1 1 11 11 TYR N N 11 127.926 127.926 120.165 7.761 19027
2726 1 10 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.471 -0.307 19027
2727 1 10 . 1 1 11 11 TYR C C 11 174.865 174.865 176.262 -1.397 19027
2728 1 10 . 1 1 11 11 TYR CA C 11 62.639 62.639 60.369 2.270 19027
2729 1 10 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.310 0.932 19027
2730 1 10 . 1 1 11 11 TYR H H 11 9.158 9.158 8.722 0.436 19027
2731 1 10 . 1 1 12 12 THR N N 12 122.867 122.867 115.719 7.148 19027
2732 1 10 . 1 1 12 12 THR HA H 12 5.097 5.097 4.552 0.545 19027
2733 1 10 . 1 1 12 12 THR C C 12 172.419 172.419 173.576 -1.157 19027
2734 1 10 . 1 1 12 12 THR CA C 12 61.689 61.689 61.138 0.551 19027
2735 1 10 . 1 1 12 12 THR CB C 12 72.538 72.538 70.206 2.332 19027
2736 1 10 . 1 1 12 12 THR H H 12 7.803 7.803 8.324 -0.521 19027
2737 1 10 . 1 1 13 13 TYR N N 13 128.551 128.551 125.424 3.127 19027
2738 1 10 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.919 -0.421 19027
2739 1 10 . 1 1 13 13 TYR C C 13 172.434 172.434 173.757 -1.323 19027
2740 1 10 . 1 1 13 13 TYR CA C 13 58.937 58.937 55.848 3.089 19027
2741 1 10 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.224 2.199 19027
2742 1 10 . 1 1 13 13 TYR H H 13 9.633 9.633 7.981 1.652 19027
2743 1 10 . 1 1 14 14 ASP N N 14 130.010 130.010 124.012 5.998 19027
2744 1 10 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.614 0.158 19027
2745 1 10 . 1 1 14 14 ASP C C 14 175.913 175.913 177.175 -1.262 19027
2746 1 10 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.947 -1.128 19027
2747 1 10 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.565 2.318 19027
2748 1 10 . 1 1 14 14 ASP H H 14 8.871 8.871 8.276 0.595 19027
2749 1 10 . 1 1 15 15 GLU N N 15 124.543 124.543 126.460 -1.917 19027
2750 1 10 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.206 -0.335 19027
2751 1 10 . 1 1 15 15 GLU C C 15 177.377 177.377 178.364 -0.987 19027
2752 1 10 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.420 0.431 19027
2753 1 10 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.916 3.651 19027
2754 1 10 . 1 1 15 15 GLU H H 15 8.513 8.513 8.906 -0.393 19027
2755 1 10 . 1 1 16 16 GLY N N 16 101.955 101.955 104.203 -2.248 19027
2756 1 10 . 1 1 16 16 GLY C C 16 175.805 175.805 175.234 0.571 19027
2757 1 10 . 1 1 16 16 GLY CA C 16 47.481 47.481 45.818 1.663 19027
2758 1 10 . 1 1 16 16 GLY H H 16 8.415 8.415 8.044 0.371 19027
2759 1 10 . 1 1 17 17 LYS N N 17 118.967 118.967 121.284 -2.317 19027
2760 1 10 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.463 -0.220 19027
2761 1 10 . 1 1 17 17 LYS C C 17 178.731 178.731 176.779 1.952 19027
2762 1 10 . 1 1 17 17 LYS CA C 17 57.830 57.830 55.204 2.626 19027
2763 1 10 . 1 1 17 17 LYS CB C 17 35.378 35.378 34.245 1.133 19027
2764 1 10 . 1 1 17 17 LYS H H 17 7.518 7.518 7.722 -0.204 19027
2765 1 10 . 1 1 18 18 GLY N N 18 105.920 105.920 108.725 -2.805 19027
2766 1 10 . 1 1 18 18 GLY C C 18 174.014 174.014 173.346 0.668 19027
2767 1 10 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.245 -0.049 19027
2768 1 10 . 1 1 18 18 GLY H H 18 8.340 8.340 8.339 0.001 19027
2769 1 10 . 1 1 19 19 ASP N N 19 115.186 115.186 119.713 -4.527 19027
2770 1 10 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.962 0.037 19027
2771 1 10 . 1 1 19 19 ASP CA C 19 53.849 53.849 53.103 0.746 19027
2772 1 10 . 1 1 19 19 ASP CB C 19 42.778 42.778 41.770 1.008 19027
2773 1 10 . 1 1 19 19 ASP H H 19 9.398 9.398 7.932 1.466 19027
2774 1 10 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.524 -0.439 19027
2775 1 10 . 1 1 20 20 PRO C C 20 179.781 179.781 178.275 1.506 19027
2776 1 10 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.107 1.591 19027
2777 1 10 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.008 1.145 19027
2778 1 10 . 1 1 21 21 ARG N N 21 119.558 119.558 119.629 -0.071 19027
2779 1 10 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.072 -0.037 19027
2780 1 10 . 1 1 21 21 ARG C C 21 178.035 178.035 177.329 0.706 19027
2781 1 10 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.398 1.629 19027
2782 1 10 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.772 1.020 19027
2783 1 10 . 1 1 21 21 ARG H H 21 8.130 8.130 8.178 -0.048 19027
2784 1 10 . 1 1 22 22 GLU N N 22 115.743 115.743 117.603 -1.860 19027
2785 1 10 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.395 -0.307 19027
2786 1 10 . 1 1 22 22 GLU C C 22 175.223 175.223 176.152 -0.929 19027
2787 1 10 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.247 0.359 19027
2788 1 10 . 1 1 22 22 GLU CB C 22 32.615 32.615 29.052 3.563 19027
2789 1 10 . 1 1 22 22 GLU H H 22 7.351 7.351 7.411 -0.060 19027
2790 1 10 . 1 1 23 23 GLY N N 23 104.201 104.201 107.657 -3.456 19027
2791 1 10 . 1 1 23 23 GLY C C 23 173.653 173.653 173.350 0.303 19027
2792 1 10 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.519 0.631 19027
2793 1 10 . 1 1 23 23 GLY H H 23 7.418 7.418 7.879 -0.461 19027
2794 1 10 . 1 1 24 24 PHE N N 24 119.913 119.913 118.854 1.059 19027
2795 1 10 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.847 0.501 19027
2796 1 10 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.126 -1.700 19027
2797 1 10 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.178 1.002 19027
2798 1 10 . 1 1 24 24 PHE H H 24 7.332 7.332 7.172 0.160 19027
2799 1 10 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.498 -0.118 19027
2800 1 10 . 1 1 25 25 PRO C C 25 176.423 176.423 176.411 0.012 19027
2801 1 10 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.478 0.686 19027
2802 1 10 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.343 1.430 19027
2803 1 10 . 1 1 26 26 ALA N N 26 125.017 125.017 122.638 2.379 19027
2804 1 10 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.916 -0.505 19027
2805 1 10 . 1 1 26 26 ALA C C 26 177.828 177.828 178.476 -0.648 19027
2806 1 10 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.260 2.094 19027
2807 1 10 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.866 -0.016 19027
2808 1 10 . 1 1 26 26 ALA H H 26 8.807 8.807 8.322 0.485 19027
2809 1 10 . 1 1 27 27 GLY N N 27 112.134 112.134 112.425 -0.291 19027
2810 1 10 . 1 1 27 27 GLY C C 27 174.600 174.600 174.822 -0.222 19027
2811 1 10 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.823 1.565 19027
2812 1 10 . 1 1 27 27 GLY H H 27 8.047 8.047 8.880 -0.833 19027
2813 1 10 . 1 1 28 28 THR N N 28 117.918 117.918 120.769 -2.851 19027
2814 1 10 . 1 1 28 28 THR HA H 28 3.864 3.864 4.083 -0.219 19027
2815 1 10 . 1 1 28 28 THR C C 28 174.146 174.146 173.626 0.520 19027
2816 1 10 . 1 1 28 28 THR CA C 28 65.904 65.904 64.112 1.792 19027
2817 1 10 . 1 1 28 28 THR CB C 28 68.895 68.895 69.416 -0.521 19027
2818 1 10 . 1 1 28 28 THR H H 28 7.629 7.629 7.813 -0.184 19027
2819 1 10 . 1 1 29 29 ARG N N 29 129.298 129.298 125.821 3.477 19027
2820 1 10 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.334 -0.101 19027
2821 1 10 . 1 1 29 29 ARG C C 29 177.469 177.469 177.615 -0.146 19027
2822 1 10 . 1 1 29 29 ARG CA C 29 56.070 56.070 54.631 1.439 19027
2823 1 10 . 1 1 29 29 ARG CB C 29 32.377 32.377 30.386 1.991 19027
2824 1 10 . 1 1 29 29 ARG H H 29 8.621 8.621 8.553 0.068 19027
2825 1 10 . 1 1 30 30 TRP N N 30 123.961 123.961 124.107 -0.146 19027
2826 1 10 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.211 -0.226 19027
2827 1 10 . 1 1 30 30 TRP C C 30 178.407 178.407 176.596 1.811 19027
2828 1 10 . 1 1 30 30 TRP CA C 30 60.243 60.243 58.820 1.423 19027
2829 1 10 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.320 3.893 19027
2830 1 10 . 1 1 30 30 TRP H H 30 10.310 10.310 8.727 1.583 19027
2831 1 10 . 1 1 31 31 ASP N N 31 111.781 111.781 118.848 -7.067 19027
2832 1 10 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.338 -0.245 19027
2833 1 10 . 1 1 31 31 ASP C C 31 176.435 176.435 176.763 -0.328 19027
2834 1 10 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.766 0.290 19027
2835 1 10 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.920 0.819 19027
2836 1 10 . 1 1 31 31 ASP H H 31 8.042 8.042 7.305 0.737 19027
2837 1 10 . 1 1 32 32 GLN N N 32 117.006 117.006 116.812 0.194 19027
2838 1 10 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.024 -0.075 19027
2839 1 10 . 1 1 32 32 GLN C C 32 175.655 175.655 176.609 -0.954 19027
2840 1 10 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.194 0.088 19027
2841 1 10 . 1 1 32 32 GLN CB C 32 30.867 30.867 29.031 1.836 19027
2842 1 10 . 1 1 32 32 GLN H H 32 7.787 7.787 7.502 0.285 19027
2843 1 10 . 1 1 33 33 ILE N N 33 125.130 125.130 121.351 3.779 19027
2844 1 10 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.731 -0.425 19027
2845 1 10 . 1 1 33 33 ILE CA C 33 59.158 59.158 58.285 0.873 19027
2846 1 10 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.736 1.736 19027
2847 1 10 . 1 1 33 33 ILE H H 33 6.746 6.746 6.956 -0.210 19027
2848 1 10 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.562 -0.495 19027
2849 1 10 . 1 1 34 34 PRO C C 34 176.375 176.375 177.307 -0.932 19027
2850 1 10 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.596 1.723 19027
2851 1 10 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.280 1.318 19027
2852 1 10 . 1 1 35 35 ASP N N 35 119.176 119.176 122.604 -3.428 19027
2853 1 10 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.426 -0.356 19027
2854 1 10 . 1 1 35 35 ASP C C 35 175.841 175.841 176.437 -0.596 19027
2855 1 10 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.964 2.020 19027
2856 1 10 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.154 1.509 19027
2857 1 10 . 1 1 35 35 ASP H H 35 8.323 8.323 8.785 -0.462 19027
2858 1 10 . 1 1 36 36 ASP N N 36 113.960 113.960 119.147 -5.187 19027
2859 1 10 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.764 -0.280 19027
2860 1 10 . 1 1 36 36 ASP C C 36 175.704 175.704 175.509 0.195 19027
2861 1 10 . 1 1 36 36 ASP CA C 36 53.225 53.225 53.772 -0.547 19027
2862 1 10 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.252 0.102 19027
2863 1 10 . 1 1 36 36 ASP H H 36 8.035 8.035 8.221 -0.186 19027
2864 1 10 . 1 1 37 37 TRP N N 37 123.373 123.373 120.978 2.395 19027
2865 1 10 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.791 -0.616 19027
2866 1 10 . 1 1 37 37 TRP C C 37 174.365 174.365 175.565 -1.200 19027
2867 1 10 . 1 1 37 37 TRP CA C 37 60.445 60.445 56.885 3.560 19027
2868 1 10 . 1 1 37 37 TRP CB C 37 30.338 30.338 31.195 -0.858 19027
2869 1 10 . 1 1 37 37 TRP H H 37 7.524 7.524 7.628 -0.104 19027
2870 1 10 . 1 1 38 38 CYS N N 38 122.179 122.179 120.501 1.678 19027
2871 1 10 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.794 -0.241 19027
2872 1 10 . 1 1 38 38 CYS C C 38 170.825 170.825 174.030 -3.205 19027
2873 1 10 . 1 1 38 38 CYS CA C 38 56.470 56.470 57.587 -1.117 19027
2874 1 10 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.634 3.142 19027
2875 1 10 . 1 1 38 38 CYS H H 38 6.987 6.987 7.670 -0.683 19027
2876 1 10 . 1 1 39 39 CYS N N 39 122.613 122.613 124.932 -2.319 19027
2877 1 10 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.922 -1.337 19027
2878 1 10 . 1 1 39 39 CYS CA C 39 58.215 58.215 56.213 2.002 19027
2879 1 10 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.731 1.859 19027
2880 1 10 . 1 1 39 39 CYS H H 39 8.053 8.053 8.815 -0.762 19027
2881 1 10 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.335 -0.346 19027
2882 1 10 . 1 1 40 40 PRO C C 40 176.898 176.898 176.955 -0.057 19027
2883 1 10 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.187 -0.627 19027
2884 1 10 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.298 1.226 19027
2885 1 10 . 1 1 41 41 ASP N N 41 122.580 122.580 118.639 3.941 19027
2886 1 10 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.667 0.006 19027
2887 1 10 . 1 1 41 41 ASP C C 41 177.521 177.521 178.474 -0.953 19027
2888 1 10 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.248 0.327 19027
2889 1 10 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.295 1.654 19027
2890 1 10 . 1 1 41 41 ASP H H 41 8.514 8.514 8.295 0.219 19027
2891 1 10 . 1 1 42 42 CYS N N 42 120.989 120.989 117.692 3.297 19027
2892 1 10 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.187 0.388 19027
2893 1 10 . 1 1 42 42 CYS C C 42 176.608 176.608 175.570 1.038 19027
2894 1 10 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.588 -0.886 19027
2895 1 10 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.876 4.449 19027
2896 1 10 . 1 1 42 42 CYS H H 42 8.489 8.489 8.043 0.446 19027
2897 1 10 . 1 1 43 43 SER N N 43 114.015 114.015 113.700 0.315 19027
2898 1 10 . 1 1 43 43 SER HA H 43 4.552 4.552 4.274 0.278 19027
2899 1 10 . 1 1 43 43 SER C C 43 174.781 174.781 175.739 -0.958 19027
2900 1 10 . 1 1 43 43 SER CA C 43 60.651 60.651 61.115 -0.464 19027
2901 1 10 . 1 1 43 43 SER CB C 43 63.609 63.609 63.182 0.427 19027
2902 1 10 . 1 1 43 43 SER H H 43 7.259 7.259 7.771 -0.512 19027
2903 1 10 . 1 1 44 44 VAL N N 44 113.888 113.888 118.419 -4.531 19027
2904 1 10 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.235 0.156 19027
2905 1 10 . 1 1 44 44 VAL C C 44 176.216 176.216 175.045 1.171 19027
2906 1 10 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.791 1.393 19027
2907 1 10 . 1 1 44 44 VAL CB C 44 33.595 33.595 33.386 0.209 19027
2908 1 10 . 1 1 44 44 VAL H H 44 8.640 8.640 7.507 1.133 19027
2909 1 10 . 1 1 45 45 ARG N N 45 119.350 119.350 121.432 -2.082 19027
2910 1 10 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.431 0.295 19027
2911 1 10 . 1 1 45 45 ARG C C 45 174.378 174.378 175.307 -0.929 19027
2912 1 10 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.407 0.085 19027
2913 1 10 . 1 1 45 45 ARG CB C 45 34.247 34.247 30.831 3.416 19027
2914 1 10 . 1 1 45 45 ARG H H 45 6.674 6.674 7.289 -0.615 19027
2915 1 10 . 1 1 46 46 GLU N N 46 122.707 122.707 125.272 -2.565 19027
2916 1 10 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.122 0.673 19027
2917 1 10 . 1 1 46 46 GLU C C 46 176.797 176.797 178.073 -1.276 19027
2918 1 10 . 1 1 46 46 GLU CA C 46 55.819 55.819 57.483 -1.664 19027
2919 1 10 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.510 3.478 19027
2920 1 10 . 1 1 46 46 GLU H H 46 9.287 9.287 8.866 0.421 19027
2921 1 10 . 1 1 47 47 LYS N N 47 121.213 121.213 125.399 -4.186 19027
2922 1 10 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.165 -0.532 19027
2923 1 10 . 1 1 47 47 LYS C C 47 179.071 179.071 178.420 0.651 19027
2924 1 10 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.074 2.674 19027
2925 1 10 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.485 2.599 19027
2926 1 10 . 1 1 47 47 LYS H H 47 8.229 8.229 8.782 -0.553 19027
2927 1 10 . 1 1 48 48 VAL N N 48 112.335 112.335 118.692 -6.357 19027
2928 1 10 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.945 0.143 19027
2929 1 10 . 1 1 48 48 VAL C C 48 175.267 175.267 176.274 -1.007 19027
2930 1 10 . 1 1 48 48 VAL CA C 48 65.023 65.023 63.841 1.182 19027
2931 1 10 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.152 1.273 19027
2932 1 10 . 1 1 48 48 VAL H H 48 7.813 7.813 7.927 -0.114 19027
2933 1 10 . 1 1 49 49 ASP N N 49 118.790 118.790 119.151 -0.361 19027
2934 1 10 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.381 0.498 19027
2935 1 10 . 1 1 49 49 ASP C C 49 177.232 177.232 176.496 0.736 19027
2936 1 10 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.833 0.067 19027
2937 1 10 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.124 3.168 19027
2938 1 10 . 1 1 49 49 ASP H H 49 8.360 8.360 7.767 0.593 19027
2939 1 10 . 1 1 50 50 PHE N N 50 121.477 121.477 119.643 1.834 19027
2940 1 10 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.269 0.259 19027
2941 1 10 . 1 1 50 50 PHE C C 50 176.351 176.351 175.781 0.570 19027
2942 1 10 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.927 0.649 19027
2943 1 10 . 1 1 50 50 PHE CB C 50 41.373 41.373 38.726 2.647 19027
2944 1 10 . 1 1 50 50 PHE H H 50 8.227 8.227 7.484 0.743 19027
2945 1 10 . 1 1 51 51 GLU N N 51 120.869 120.869 125.035 -4.166 19027
2946 1 10 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.720 -0.137 19027
2947 1 10 . 1 1 51 51 GLU C C 51 175.785 175.785 175.688 0.097 19027
2948 1 10 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.151 0.513 19027
2949 1 10 . 1 1 51 51 GLU CB C 51 33.082 33.082 32.259 0.823 19027
2950 1 10 . 1 1 51 51 GLU H H 51 9.170 9.170 8.350 0.820 19027
2951 1 10 . 1 1 52 52 ARG N N 52 126.629 126.629 123.638 2.991 19027
2952 1 10 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.315 -0.658 19027
2953 1 10 . 1 1 52 52 ARG C C 52 176.531 176.531 175.171 1.360 19027
2954 1 10 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.094 2.267 19027
2955 1 10 . 1 1 52 52 ARG CB C 52 31.394 31.394 31.131 0.263 19027
2956 1 10 . 1 1 52 52 ARG H H 52 8.810 8.810 8.488 0.322 19027
2957 1 10 . 1 1 53 53 MET N N 53 127.146 127.146 121.291 5.855 19027
2958 1 10 . 1 1 53 53 MET HA H 53 4.358 4.358 4.714 -0.356 19027
2959 1 10 . 1 1 53 53 MET C C 53 176.545 176.545 175.874 0.671 19027
2960 1 10 . 1 1 53 53 MET CA C 53 56.209 56.209 53.669 2.540 19027
2961 1 10 . 1 1 53 53 MET CB C 53 33.611 33.611 35.808 -2.197 19027
2962 1 10 . 1 1 53 53 MET H H 53 8.561 8.561 8.415 0.146 19027
2963 1 10 . 1 1 54 54 GLY N N 54 109.727 109.727 107.307 2.420 19027
2964 1 10 . 1 1 54 54 GLY C C 54 174.379 174.379 173.681 0.698 19027
2965 1 10 . 1 1 54 54 GLY CA C 54 46.320 46.320 45.271 1.049 19027
2966 1 10 . 1 1 54 54 GLY H H 54 8.286 8.286 8.573 -0.287 19027
2967 1 10 . 1 1 55 55 GLY N N 55 109.085 109.085 108.686 0.399 19027
2968 1 10 . 1 1 55 55 GLY C C 55 173.142 173.142 173.818 -0.676 19027
2969 1 10 . 1 1 55 55 GLY CA C 55 46.222 46.222 44.686 1.536 19027
2970 1 10 . 1 1 55 55 GLY H H 55 8.242 8.242 8.611 -0.369 19027
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 49 3.815 -0.271 3.845 19027
2 1 1 "Average Difference" HA 56 0.437 0.069 0.436 19027
3 1 1 "Average Difference" C 49 1.130 0.246 1.115 19027
4 1 1 "Average Difference" CA 54 1.553 -0.808 1.339 19027
5 1 1 "Average Difference" CB 48 2.232 -1.852 1.259 19027
6 1 1 "Average Difference" HN 49 0.630 -0.211 0.599 19027
7 1 2 "Average Difference" N 49 3.930 -0.609 3.923 19027
8 1 2 "Average Difference" HA 56 0.416 0.051 0.417 19027
9 1 2 "Average Difference" C 49 1.165 0.215 1.157 19027
10 1 2 "Average Difference" CA 54 1.548 -0.669 1.409 19027
11 1 2 "Average Difference" CB 48 2.162 -1.795 1.219 19027
12 1 2 "Average Difference" HN 49 0.614 -0.199 0.586 19027
13 1 3 "Average Difference" N 49 4.201 -0.208 4.239 19027
14 1 3 "Average Difference" HA 56 0.438 0.088 0.433 19027
15 1 3 "Average Difference" C 49 1.143 0.270 1.122 19027
16 1 3 "Average Difference" CA 54 1.588 -0.920 1.306 19027
17 1 3 "Average Difference" CB 48 2.181 -1.722 1.352 19027
18 1 3 "Average Difference" HN 49 0.700 -0.178 0.684 19027
19 1 4 "Average Difference" N 49 4.006 -0.132 4.045 19027
20 1 4 "Average Difference" HA 56 0.441 0.087 0.436 19027
21 1 4 "Average Difference" C 49 1.174 0.258 1.157 19027
22 1 4 "Average Difference" CA 54 1.548 -0.857 1.301 19027
23 1 4 "Average Difference" CB 48 2.190 -1.795 1.268 19027
24 1 4 "Average Difference" HN 49 0.727 -0.200 0.706 19027
25 1 5 "Average Difference" N 49 3.992 -0.449 4.008 19027
26 1 5 "Average Difference" HA 56 0.416 0.055 0.416 19027
27 1 5 "Average Difference" C 49 1.197 0.148 1.201 19027
28 1 5 "Average Difference" CA 54 1.641 -0.908 1.380 19027
29 1 5 "Average Difference" CB 48 2.301 -1.832 1.408 19027
30 1 5 "Average Difference" HN 49 0.671 -0.209 0.644 19027
31 1 6 "Average Difference" N 49 3.928 -0.748 3.896 19027
32 1 6 "Average Difference" HA 56 0.428 0.076 0.425 19027
33 1 6 "Average Difference" C 49 1.144 0.080 1.153 19027
34 1 6 "Average Difference" CA 54 1.690 -0.895 1.447 19027
35 1 6 "Average Difference" CB 48 2.104 -1.689 1.268 19027
36 1 6 "Average Difference" HN 49 0.665 -0.185 0.646 19027
37 1 7 "Average Difference" N 49 3.786 -0.284 3.815 19027
38 1 7 "Average Difference" HA 56 0.404 0.028 0.407 19027
39 1 7 "Average Difference" C 49 1.073 0.254 1.054 19027
40 1 7 "Average Difference" CA 54 1.514 -0.644 1.383 19027
41 1 7 "Average Difference" CB 48 2.157 -1.801 1.200 19027
42 1 7 "Average Difference" HN 49 0.651 -0.197 0.627 19027
43 1 8 "Average Difference" N 49 3.840 -0.343 3.865 19027
44 1 8 "Average Difference" HA 56 0.452 0.088 0.447 19027
45 1 8 "Average Difference" C 49 1.059 0.277 1.033 19027
46 1 8 "Average Difference" CA 54 1.581 -0.858 1.340 19027
47 1 8 "Average Difference" CB 48 2.256 -1.751 1.437 19027
48 1 8 "Average Difference" HN 49 0.769 -0.238 0.739 19027
49 1 9 "Average Difference" N 49 4.252 0.065 4.295 19027
50 1 9 "Average Difference" HA 56 0.437 0.045 0.438 19027
51 1 9 "Average Difference" C 49 1.181 0.278 1.160 19027
52 1 9 "Average Difference" CA 54 1.583 -0.759 1.402 19027
53 1 9 "Average Difference" CB 48 2.277 -1.798 1.413 19027
54 1 9 "Average Difference" HN 49 0.658 -0.178 0.640 19027
55 1 10 "Average Difference" N 49 4.246 -0.357 4.275 19027
56 1 10 "Average Difference" HA 56 0.462 0.104 0.454 19027
57 1 10 "Average Difference" C 49 1.069 0.099 1.075 19027
58 1 10 "Average Difference" CA 54 1.622 -0.945 1.330 19027
59 1 10 "Average Difference" CB 48 2.303 -1.704 1.565 19027
60 1 10 "Average Difference" HN 49 0.700 -0.224 0.670 19027
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 19027
_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 THR N N 2 119.701 119.701 118.331 1.370 19027
2 1 . 1 1 2 2 THR HA H 2 4.410 4.410 4.512 -0.102 19027
3 1 . 1 1 2 2 THR C C 2 171.369 171.369 173.182 -1.813 19027
4 1 . 1 1 2 2 THR CA C 2 61.966 61.966 62.148 -0.182 19027
5 1 . 1 1 2 2 THR CB C 2 71.197 71.197 69.799 1.398 19027
6 1 . 1 1 2 2 THR H H 2 9.154 9.154 8.526 0.628 19027
7 1 . 1 1 3 3 ALA N N 3 125.223 125.223 127.509 -2.286 19027
8 1 . 1 1 3 3 ALA HA H 3 5.485 5.485 4.669 0.816 19027
9 1 . 1 1 3 3 ALA C C 3 174.550 174.550 174.937 -0.387 19027
10 1 . 1 1 3 3 ALA CA C 3 51.136 51.136 52.002 -0.866 19027
11 1 . 1 1 3 3 ALA CB C 3 23.236 23.236 21.153 2.083 19027
12 1 . 1 1 3 3 ALA H H 3 8.067 8.067 8.046 0.021 19027
13 1 . 1 1 4 4 TYR N N 4 119.327 119.327 123.446 -4.119 19027
14 1 . 1 1 4 4 TYR HA H 4 4.834 4.834 5.040 -0.206 19027
15 1 . 1 1 4 4 TYR C C 4 174.331 174.331 174.823 -0.492 19027
16 1 . 1 1 4 4 TYR CA C 4 57.792 57.792 57.499 0.293 19027
17 1 . 1 1 4 4 TYR CB C 4 44.073 44.073 40.932 3.141 19027
18 1 . 1 1 4 4 TYR H H 4 9.008 9.008 8.525 0.483 19027
19 1 . 1 1 5 5 ARG N N 5 122.617 122.617 124.397 -1.780 19027
20 1 . 1 1 5 5 ARG HA H 5 5.482 5.482 4.761 0.721 19027
21 1 . 1 1 5 5 ARG C C 5 174.456 174.456 174.302 0.154 19027
22 1 . 1 1 5 5 ARG CA C 5 54.571 54.571 55.408 -0.837 19027
23 1 . 1 1 5 5 ARG CB C 5 36.478 36.478 32.210 4.268 19027
24 1 . 1 1 5 5 ARG H H 5 9.374 9.374 8.291 1.083 19027
25 1 . 1 1 6 6 CYS N N 6 131.493 131.493 125.084 6.409 19027
26 1 . 1 1 6 6 CYS HA H 6 3.306 3.306 4.706 -1.400 19027
27 1 . 1 1 6 6 CYS CA C 6 57.218 57.218 56.125 1.093 19027
28 1 . 1 1 6 6 CYS CB C 6 32.612 32.612 30.120 2.492 19027
29 1 . 1 1 6 6 CYS H H 6 9.180 9.180 9.038 0.142 19027
30 1 . 1 1 7 7 PRO HA H 7 4.383 4.383 4.529 -0.146 19027
31 1 . 1 1 7 7 PRO C C 7 177.281 177.281 176.619 0.662 19027
32 1 . 1 1 7 7 PRO CA C 7 64.699 64.699 63.980 0.719 19027
33 1 . 1 1 7 7 PRO CB C 7 33.138 33.138 31.877 1.261 19027
34 1 . 1 1 8 8 VAL N N 8 125.048 125.048 114.695 10.353 19027
35 1 . 1 1 8 8 VAL HA H 8 3.865 3.865 3.796 0.069 19027
36 1 . 1 1 8 8 VAL C C 8 177.405 177.405 176.298 1.107 19027
37 1 . 1 1 8 8 VAL CA C 8 66.224 66.224 63.928 2.296 19027
38 1 . 1 1 8 8 VAL CB C 8 33.281 33.281 31.031 2.250 19027
39 1 . 1 1 8 8 VAL H H 8 9.396 9.396 7.808 1.588 19027
40 1 . 1 1 9 9 CYS N N 9 121.339 121.339 113.961 7.378 19027
41 1 . 1 1 9 9 CYS HA H 9 4.843 4.843 4.751 0.092 19027
42 1 . 1 1 9 9 CYS C C 9 176.232 176.232 173.785 2.447 19027
43 1 . 1 1 9 9 CYS CA C 9 59.872 59.872 58.340 1.533 19027
44 1 . 1 1 9 9 CYS CB C 9 33.899 33.899 30.855 3.044 19027
45 1 . 1 1 9 9 CYS H H 9 8.536 8.536 7.396 1.140 19027
46 1 . 1 1 10 10 ASP N N 10 118.066 118.066 117.833 0.233 19027
47 1 . 1 1 10 10 ASP HA H 10 4.231 4.231 4.798 -0.567 19027
48 1 . 1 1 10 10 ASP C C 10 175.398 175.398 175.171 0.227 19027
49 1 . 1 1 10 10 ASP CA C 10 58.005 58.005 53.045 4.960 19027
50 1 . 1 1 10 10 ASP CB C 10 41.320 41.320 42.764 -1.444 19027
51 1 . 1 1 10 10 ASP H H 10 7.829 7.829 7.740 0.089 19027
52 1 . 1 1 11 11 TYR N N 11 127.926 127.926 119.080 8.847 19027
53 1 . 1 1 11 11 TYR HA H 11 4.163 4.163 4.307 -0.144 19027
54 1 . 1 1 11 11 TYR C C 11 174.865 174.865 176.060 -1.195 19027
55 1 . 1 1 11 11 TYR CA C 11 62.639 62.639 59.869 2.770 19027
56 1 . 1 1 11 11 TYR CB C 11 40.242 40.242 39.024 1.218 19027
57 1 . 1 1 11 11 TYR H H 11 9.158 9.158 8.641 0.517 19027
58 1 . 1 1 12 12 THR N N 12 122.867 122.867 114.529 8.338 19027
59 1 . 1 1 12 12 THR HA H 12 5.097 5.097 4.519 0.578 19027
60 1 . 1 1 12 12 THR C C 12 172.419 172.419 173.299 -0.880 19027
61 1 . 1 1 12 12 THR CA C 12 61.689 61.689 61.305 0.384 19027
62 1 . 1 1 12 12 THR CB C 12 72.538 72.538 70.252 2.286 19027
63 1 . 1 1 12 12 THR H H 12 7.803 7.803 8.063 -0.260 19027
64 1 . 1 1 13 13 TYR N N 13 128.551 128.551 124.751 3.800 19027
65 1 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.849 -0.351 19027
66 1 . 1 1 13 13 TYR C C 13 172.434 172.434 174.263 -1.829 19027
67 1 . 1 1 13 13 TYR CA C 13 58.937 58.937 56.964 1.973 19027
68 1 . 1 1 13 13 TYR CB C 13 41.423 41.423 39.943 1.480 19027
69 1 . 1 1 13 13 TYR H H 13 9.633 9.633 8.336 1.297 19027
70 1 . 1 1 14 14 ASP N N 14 130.010 130.010 123.890 6.120 19027
71 1 . 1 1 14 14 ASP HA H 14 4.772 4.772 4.687 0.085 19027
72 1 . 1 1 14 14 ASP C C 14 175.913 175.913 177.381 -1.468 19027
73 1 . 1 1 14 14 ASP CA C 14 52.819 52.819 53.827 -1.008 19027
74 1 . 1 1 14 14 ASP CB C 14 44.883 44.883 42.507 2.376 19027
75 1 . 1 1 14 14 ASP H H 14 8.871 8.871 8.351 0.520 19027
76 1 . 1 1 15 15 GLU N N 15 124.543 124.543 125.844 -1.301 19027
77 1 . 1 1 15 15 GLU HA H 15 3.871 3.871 4.137 -0.266 19027
78 1 . 1 1 15 15 GLU C C 15 177.377 177.377 178.306 -0.929 19027
79 1 . 1 1 15 15 GLU CA C 15 59.851 59.851 59.408 0.443 19027
80 1 . 1 1 15 15 GLU CB C 15 33.567 33.567 29.884 3.683 19027
81 1 . 1 1 15 15 GLU H H 15 8.513 8.513 8.674 -0.161 19027
82 1 . 1 1 16 16 GLY N N 16 101.955 101.955 104.791 -2.836 19027
83 1 . 1 1 16 16 GLY C C 16 175.805 175.805 175.307 0.498 19027
84 1 . 1 1 16 16 GLY CA C 16 47.481 47.481 45.556 1.925 19027
85 1 . 1 1 16 16 GLY H H 16 8.415 8.415 8.166 0.249 19027
86 1 . 1 1 17 17 LYS N N 17 118.967 118.967 121.225 -2.258 19027
87 1 . 1 1 17 17 LYS HA H 17 4.243 4.243 4.272 -0.029 19027
88 1 . 1 1 17 17 LYS C C 17 178.731 178.731 177.350 1.381 19027
89 1 . 1 1 17 17 LYS CA C 17 57.830 57.830 56.785 1.045 19027
90 1 . 1 1 17 17 LYS CB C 17 35.378 35.378 33.770 1.608 19027
91 1 . 1 1 17 17 LYS H H 17 7.518 7.518 7.763 -0.245 19027
92 1 . 1 1 18 18 GLY N N 18 105.920 105.920 107.924 -2.004 19027
93 1 . 1 1 18 18 GLY C C 18 174.014 174.014 173.906 0.108 19027
94 1 . 1 1 18 18 GLY CA C 18 45.196 45.196 45.089 0.107 19027
95 1 . 1 1 18 18 GLY H H 18 8.340 8.340 8.006 0.333 19027
96 1 . 1 1 19 19 ASP N N 19 115.186 115.186 121.688 -6.502 19027
97 1 . 1 1 19 19 ASP HA H 19 4.999 4.999 4.733 0.266 19027
98 1 . 1 1 19 19 ASP CA C 19 53.849 53.849 52.822 1.027 19027
99 1 . 1 1 19 19 ASP CB C 19 42.778 42.778 40.853 1.925 19027
100 1 . 1 1 19 19 ASP H H 19 9.398 9.398 8.147 1.251 19027
101 1 . 1 1 20 20 PRO HA H 20 4.085 4.085 4.390 -0.305 19027
102 1 . 1 1 20 20 PRO C C 20 179.781 179.781 178.300 1.481 19027
103 1 . 1 1 20 20 PRO CA C 20 65.698 65.698 64.357 1.341 19027
104 1 . 1 1 20 20 PRO CB C 20 33.153 33.153 32.014 1.139 19027
105 1 . 1 1 21 21 ARG N N 21 119.558 119.558 118.977 0.581 19027
106 1 . 1 1 21 21 ARG HA H 21 4.035 4.035 4.118 -0.083 19027
107 1 . 1 1 21 21 ARG C C 21 178.035 178.035 177.166 0.869 19027
108 1 . 1 1 21 21 ARG CA C 21 60.027 60.027 58.290 1.737 19027
109 1 . 1 1 21 21 ARG CB C 21 30.792 30.792 29.407 1.385 19027
110 1 . 1 1 21 21 ARG H H 21 8.130 8.130 8.210 -0.080 19027
111 1 . 1 1 22 22 GLU N N 22 115.743 115.743 117.879 -2.136 19027
112 1 . 1 1 22 22 GLU HA H 22 4.088 4.088 4.317 -0.229 19027
113 1 . 1 1 22 22 GLU C C 22 175.223 175.223 176.151 -0.928 19027
114 1 . 1 1 22 22 GLU CA C 22 55.606 55.606 55.259 0.347 19027
115 1 . 1 1 22 22 GLU CB C 22 32.615 32.615 28.966 3.649 19027
116 1 . 1 1 22 22 GLU H H 22 7.351 7.351 7.472 -0.121 19027
117 1 . 1 1 23 23 GLY N N 23 104.201 104.201 106.769 -2.568 19027
118 1 . 1 1 23 23 GLY C C 23 173.653 173.653 173.622 0.031 19027
119 1 . 1 1 23 23 GLY CA C 23 46.150 46.150 45.435 0.715 19027
120 1 . 1 1 23 23 GLY H H 23 7.418 7.418 7.635 -0.217 19027
121 1 . 1 1 24 24 PHE N N 24 119.913 119.913 119.017 0.896 19027
122 1 . 1 1 24 24 PHE HA H 24 5.348 5.348 4.817 0.531 19027
123 1 . 1 1 24 24 PHE CA C 24 52.426 52.426 54.341 -1.915 19027
124 1 . 1 1 24 24 PHE CB C 24 40.179 40.179 39.579 0.600 19027
125 1 . 1 1 24 24 PHE H H 24 7.332 7.332 7.225 0.107 19027
126 1 . 1 1 25 25 PRO HA H 25 4.380 4.380 4.470 -0.090 19027
127 1 . 1 1 25 25 PRO C C 25 176.423 176.423 176.401 0.022 19027
128 1 . 1 1 25 25 PRO CA C 25 63.164 63.164 62.231 0.933 19027
129 1 . 1 1 25 25 PRO CB C 25 33.773 33.773 32.338 1.435 19027
130 1 . 1 1 26 26 ALA N N 26 125.017 125.017 121.760 3.257 19027
131 1 . 1 1 26 26 ALA HA H 26 3.410 3.410 3.988 -0.578 19027
132 1 . 1 1 26 26 ALA C C 26 177.828 177.828 178.661 -0.833 19027
133 1 . 1 1 26 26 ALA CA C 26 55.354 55.354 53.531 1.823 19027
134 1 . 1 1 26 26 ALA CB C 26 18.850 18.850 18.748 0.102 19027
135 1 . 1 1 26 26 ALA H H 26 8.807 8.807 8.288 0.519 19027
136 1 . 1 1 27 27 GLY N N 27 112.134 112.134 112.530 -0.395 19027
137 1 . 1 1 27 27 GLY C C 27 174.600 174.600 174.803 -0.203 19027
138 1 . 1 1 27 27 GLY CA C 27 46.388 46.388 44.908 1.480 19027
139 1 . 1 1 27 27 GLY H H 27 8.047 8.047 8.801 -0.754 19027
140 1 . 1 1 28 28 THR N N 28 117.918 117.918 120.160 -2.242 19027
141 1 . 1 1 28 28 THR HA H 28 3.864 3.864 4.083 -0.219 19027
142 1 . 1 1 28 28 THR C C 28 174.146 174.146 173.991 0.155 19027
143 1 . 1 1 28 28 THR CA C 28 65.904 65.904 63.863 2.041 19027
144 1 . 1 1 28 28 THR CB C 28 68.895 68.895 69.007 -0.112 19027
145 1 . 1 1 28 28 THR H H 28 7.629 7.629 7.837 -0.208 19027
146 1 . 1 1 29 29 ARG N N 29 129.298 129.298 126.283 3.015 19027
147 1 . 1 1 29 29 ARG HA H 29 4.233 4.233 4.411 -0.178 19027
148 1 . 1 1 29 29 ARG C C 29 177.469 177.469 177.502 -0.033 19027
149 1 . 1 1 29 29 ARG CA C 29 56.070 56.070 55.047 1.023 19027
150 1 . 1 1 29 29 ARG CB C 29 32.377 32.377 31.124 1.253 19027
151 1 . 1 1 29 29 ARG H H 29 8.621 8.621 8.355 0.266 19027
152 1 . 1 1 30 30 TRP N N 30 123.961 123.961 123.344 0.617 19027
153 1 . 1 1 30 30 TRP HA H 30 3.985 3.985 4.171 -0.186 19027
154 1 . 1 1 30 30 TRP C C 30 178.407 178.407 176.502 1.905 19027
155 1 . 1 1 30 30 TRP CA C 30 60.243 60.243 59.131 1.112 19027
156 1 . 1 1 30 30 TRP CB C 30 32.213 32.213 28.633 3.579 19027
157 1 . 1 1 30 30 TRP H H 30 10.310 10.310 8.684 1.626 19027
158 1 . 1 1 31 31 ASP N N 31 111.781 111.781 117.819 -6.038 19027
159 1 . 1 1 31 31 ASP HA H 31 4.093 4.093 4.100 -0.007 19027
160 1 . 1 1 31 31 ASP C C 31 176.435 176.435 176.911 -0.476 19027
161 1 . 1 1 31 31 ASP CA C 31 56.056 56.056 55.501 0.555 19027
162 1 . 1 1 31 31 ASP CB C 31 40.739 40.739 39.698 1.041 19027
163 1 . 1 1 31 31 ASP H H 31 8.042 8.042 7.444 0.597 19027
164 1 . 1 1 32 32 GLN N N 32 117.006 117.006 117.106 -0.100 19027
165 1 . 1 1 32 32 GLN HA H 32 3.949 3.949 4.048 -0.099 19027
166 1 . 1 1 32 32 GLN C C 32 175.655 175.655 176.751 -1.096 19027
167 1 . 1 1 32 32 GLN CA C 32 56.282 56.282 56.210 0.072 19027
168 1 . 1 1 32 32 GLN CB C 32 30.867 30.867 28.848 2.019 19027
169 1 . 1 1 32 32 GLN H H 32 7.787 7.787 7.471 0.316 19027
170 1 . 1 1 33 33 ILE N N 33 125.130 125.130 121.641 3.489 19027
171 1 . 1 1 33 33 ILE HA H 33 3.306 3.306 3.708 -0.402 19027
172 1 . 1 1 33 33 ILE CA C 33 59.158 59.158 59.018 0.140 19027
173 1 . 1 1 33 33 ILE CB C 33 38.472 38.472 36.699 1.773 19027
174 1 . 1 1 33 33 ILE H H 33 6.746 6.746 7.105 -0.359 19027
175 1 . 1 1 34 34 PRO HA H 34 4.067 4.067 4.545 -0.478 19027
176 1 . 1 1 34 34 PRO C C 34 176.375 176.375 177.282 -0.907 19027
177 1 . 1 1 34 34 PRO CA C 34 64.319 64.319 62.639 1.680 19027
178 1 . 1 1 34 34 PRO CB C 34 33.598 33.598 32.319 1.279 19027
179 1 . 1 1 35 35 ASP N N 35 119.176 119.176 122.876 -3.700 19027
180 1 . 1 1 35 35 ASP HA H 35 4.070 4.070 4.453 -0.383 19027
181 1 . 1 1 35 35 ASP C C 35 175.841 175.841 176.561 -0.720 19027
182 1 . 1 1 35 35 ASP CA C 35 57.984 57.984 55.940 2.044 19027
183 1 . 1 1 35 35 ASP CB C 35 41.663 41.663 40.504 1.159 19027
184 1 . 1 1 35 35 ASP H H 35 8.323 8.323 8.778 -0.455 19027
185 1 . 1 1 36 36 ASP N N 36 113.960 113.960 118.477 -4.517 19027
186 1 . 1 1 36 36 ASP HA H 36 4.484 4.484 4.648 -0.164 19027
187 1 . 1 1 36 36 ASP C C 36 175.704 175.704 176.232 -0.528 19027
188 1 . 1 1 36 36 ASP CA C 36 53.225 53.225 54.154 -0.929 19027
189 1 . 1 1 36 36 ASP CB C 36 40.353 40.353 40.562 -0.209 19027
190 1 . 1 1 36 36 ASP H H 36 8.035 8.035 8.246 -0.211 19027
191 1 . 1 1 37 37 TRP N N 37 123.373 123.373 121.660 1.714 19027
192 1 . 1 1 37 37 TRP HA H 37 4.175 4.175 4.510 -0.335 19027
193 1 . 1 1 37 37 TRP C C 37 174.365 174.365 176.411 -2.046 19027
194 1 . 1 1 37 37 TRP CA C 37 60.445 60.445 57.405 3.040 19027
195 1 . 1 1 37 37 TRP CB C 37 30.338 30.338 29.998 0.340 19027
196 1 . 1 1 37 37 TRP H H 37 7.524 7.524 7.687 -0.163 19027
197 1 . 1 1 38 38 CYS N N 38 122.179 122.179 124.467 -2.288 19027
198 1 . 1 1 38 38 CYS HA H 38 4.553 4.553 4.625 -0.072 19027
199 1 . 1 1 38 38 CYS C C 38 170.825 170.825 174.175 -3.350 19027
200 1 . 1 1 38 38 CYS CA C 38 56.470 56.470 58.235 -1.765 19027
201 1 . 1 1 38 38 CYS CB C 38 31.776 31.776 28.687 3.089 19027
202 1 . 1 1 38 38 CYS H H 38 6.987 6.987 8.192 -1.205 19027
203 1 . 1 1 39 39 CYS N N 39 122.613 122.613 124.237 -1.624 19027
204 1 . 1 1 39 39 CYS HA H 39 3.585 3.585 4.892 -1.307 19027
205 1 . 1 1 39 39 CYS CA C 39 58.215 58.215 56.053 2.162 19027
206 1 . 1 1 39 39 CYS CB C 39 32.590 32.590 30.297 2.293 19027
207 1 . 1 1 39 39 CYS H H 39 8.053 8.053 8.717 -0.664 19027
208 1 . 1 1 40 40 PRO HA H 40 3.989 3.989 4.336 -0.347 19027
209 1 . 1 1 40 40 PRO C C 40 176.898 176.898 177.010 -0.112 19027
210 1 . 1 1 40 40 PRO CA C 40 64.560 64.560 65.223 -0.663 19027
211 1 . 1 1 40 40 PRO CB C 40 33.524 33.524 32.259 1.265 19027
212 1 . 1 1 41 41 ASP N N 41 122.580 122.580 118.551 4.029 19027
213 1 . 1 1 41 41 ASP HA H 41 4.673 4.673 4.637 0.036 19027
214 1 . 1 1 41 41 ASP C C 41 177.521 177.521 178.475 -0.954 19027
215 1 . 1 1 41 41 ASP CA C 41 56.575 56.575 56.688 -0.113 19027
216 1 . 1 1 41 41 ASP CB C 41 42.949 42.949 41.137 1.812 19027
217 1 . 1 1 41 41 ASP H H 41 8.514 8.514 8.296 0.218 19027
218 1 . 1 1 42 42 CYS N N 42 120.989 120.989 118.537 2.452 19027
219 1 . 1 1 42 42 CYS HA H 42 4.575 4.575 4.186 0.389 19027
220 1 . 1 1 42 42 CYS C C 42 176.608 176.608 176.329 0.279 19027
221 1 . 1 1 42 42 CYS CA C 42 60.702 60.702 61.724 -1.022 19027
222 1 . 1 1 42 42 CYS CB C 42 32.325 32.325 27.349 4.975 19027
223 1 . 1 1 42 42 CYS H H 42 8.489 8.489 8.152 0.337 19027
224 1 . 1 1 43 43 SER N N 43 114.015 114.015 115.798 -1.783 19027
225 1 . 1 1 43 43 SER HA H 43 4.552 4.552 4.283 0.269 19027
226 1 . 1 1 43 43 SER C C 43 174.781 174.781 175.485 -0.704 19027
227 1 . 1 1 43 43 SER CA C 43 60.651 60.651 61.112 -0.461 19027
228 1 . 1 1 43 43 SER CB C 43 63.609 63.609 63.092 0.517 19027
229 1 . 1 1 43 43 SER H H 43 7.259 7.259 7.917 -0.658 19027
230 1 . 1 1 44 44 VAL N N 44 113.888 113.888 115.189 -1.301 19027
231 1 . 1 1 44 44 VAL HA H 44 4.391 4.391 4.334 0.057 19027
232 1 . 1 1 44 44 VAL C C 44 176.216 176.216 175.012 1.204 19027
233 1 . 1 1 44 44 VAL CA C 44 63.184 63.184 61.737 1.447 19027
234 1 . 1 1 44 44 VAL CB C 44 33.595 33.595 32.387 1.208 19027
235 1 . 1 1 44 44 VAL H H 44 8.640 8.640 7.583 1.057 19027
236 1 . 1 1 45 45 ARG N N 45 119.350 119.350 121.067 -1.717 19027
237 1 . 1 1 45 45 ARG HA H 45 4.726 4.726 4.541 0.185 19027
238 1 . 1 1 45 45 ARG C C 45 174.378 174.378 175.223 -0.845 19027
239 1 . 1 1 45 45 ARG CA C 45 54.492 54.492 54.185 0.307 19027
240 1 . 1 1 45 45 ARG CB C 45 34.247 34.247 32.134 2.112 19027
241 1 . 1 1 45 45 ARG H H 45 6.674 6.674 7.715 -1.041 19027
242 1 . 1 1 46 46 GLU N N 46 122.707 122.707 123.618 -0.911 19027
243 1 . 1 1 46 46 GLU HA H 46 4.795 4.795 4.259 0.536 19027
244 1 . 1 1 46 46 GLU C C 46 176.797 176.797 177.887 -1.090 19027
245 1 . 1 1 46 46 GLU CA C 46 55.819 55.819 56.851 -1.032 19027
246 1 . 1 1 46 46 GLU CB C 46 33.988 33.988 30.408 3.580 19027
247 1 . 1 1 46 46 GLU H H 46 9.287 9.287 8.680 0.607 19027
248 1 . 1 1 47 47 LYS N N 47 121.213 121.213 124.101 -2.888 19027
249 1 . 1 1 47 47 LYS HA H 47 3.633 3.633 4.193 -0.560 19027
250 1 . 1 1 47 47 LYS C C 47 179.071 179.071 178.607 0.464 19027
251 1 . 1 1 47 47 LYS CA C 47 61.748 61.748 59.164 2.584 19027
252 1 . 1 1 47 47 LYS CB C 47 35.084 35.084 32.483 2.601 19027
253 1 . 1 1 47 47 LYS H H 47 8.229 8.229 8.800 -0.571 19027
254 1 . 1 1 48 48 VAL N N 48 112.335 112.335 118.066 -5.731 19027
255 1 . 1 1 48 48 VAL HA H 48 4.088 4.088 3.895 0.193 19027
256 1 . 1 1 48 48 VAL C C 48 175.267 175.267 176.154 -0.887 19027
257 1 . 1 1 48 48 VAL CA C 48 65.023 65.023 64.023 1.000 19027
258 1 . 1 1 48 48 VAL CB C 48 32.425 32.425 31.496 0.929 19027
259 1 . 1 1 48 48 VAL H H 48 7.813 7.813 7.986 -0.173 19027
260 1 . 1 1 49 49 ASP N N 49 118.790 118.790 119.229 -0.439 19027
261 1 . 1 1 49 49 ASP HA H 49 4.879 4.879 4.432 0.447 19027
262 1 . 1 1 49 49 ASP C C 49 177.232 177.232 176.762 0.470 19027
263 1 . 1 1 49 49 ASP CA C 49 55.900 55.900 55.785 0.115 19027
264 1 . 1 1 49 49 ASP CB C 49 44.292 44.292 41.045 3.247 19027
265 1 . 1 1 49 49 ASP H H 49 8.360 8.360 7.736 0.624 19027
266 1 . 1 1 50 50 PHE N N 50 121.477 121.477 119.213 2.264 19027
267 1 . 1 1 50 50 PHE HA H 50 4.528 4.528 4.290 0.238 19027
268 1 . 1 1 50 50 PHE C C 50 176.351 176.351 175.675 0.676 19027
269 1 . 1 1 50 50 PHE CA C 50 60.576 60.576 59.872 0.704 19027
270 1 . 1 1 50 50 PHE CB C 50 41.373 41.373 39.258 2.115 19027
271 1 . 1 1 50 50 PHE H H 50 8.227 8.227 7.629 0.598 19027
272 1 . 1 1 51 51 GLU N N 51 120.869 120.869 122.906 -2.037 19027
273 1 . 1 1 51 51 GLU HA H 51 4.583 4.583 4.679 -0.096 19027
274 1 . 1 1 51 51 GLU C C 51 175.785 175.785 175.666 0.119 19027
275 1 . 1 1 51 51 GLU CA C 51 55.664 55.664 55.029 0.635 19027
276 1 . 1 1 51 51 GLU CB C 51 33.082 33.082 32.303 0.779 19027
277 1 . 1 1 51 51 GLU H H 51 9.170 9.170 8.533 0.637 19027
278 1 . 1 1 52 52 ARG N N 52 126.629 126.629 123.558 3.071 19027
279 1 . 1 1 52 52 ARG HA H 52 3.657 3.657 4.266 -0.609 19027
280 1 . 1 1 52 52 ARG C C 52 176.531 176.531 176.092 0.439 19027
281 1 . 1 1 52 52 ARG CA C 52 57.361 57.361 55.684 1.677 19027
282 1 . 1 1 52 52 ARG CB C 52 31.394 31.394 30.709 0.685 19027
283 1 . 1 1 52 52 ARG H H 52 8.810 8.810 8.481 0.329 19027
284 1 . 1 1 53 53 MET N N 53 127.146 127.146 123.376 3.770 19027
285 1 . 1 1 53 53 MET HA H 53 4.358 4.358 4.524 -0.166 19027
286 1 . 1 1 53 53 MET C C 53 176.545 176.545 176.084 0.461 19027
287 1 . 1 1 53 53 MET CA C 53 56.209 56.209 54.854 1.355 19027
288 1 . 1 1 53 53 MET CB C 53 33.611 33.611 33.172 0.439 19027
289 1 . 1 1 53 53 MET H H 53 8.561 8.561 8.182 0.379 19027
290 1 . 1 1 54 54 GLY N N 54 109.727 109.727 109.556 0.171 19027
291 1 . 1 1 54 54 GLY C C 54 174.379 174.379 173.945 0.434 19027
292 1 . 1 1 54 54 GLY CA C 54 46.320 46.320 44.609 1.711 19027
293 1 . 1 1 54 54 GLY H H 54 8.286 8.286 8.223 0.064 19027
294 1 . 1 1 55 55 GLY N N 55 109.085 109.085 109.414 -0.329 19027
295 1 . 1 1 55 55 GLY C C 55 173.142 173.142 174.447 -1.305 19027
296 1 . 1 1 55 55 GLY CA C 55 46.222 46.222 45.147 1.075 19027
297 1 . 1 1 55 55 GLY H H 55 8.242 8.242 8.424 -0.182 19027
stop_
save_