data_18806
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18806
_Entry.PDB_ID 2M0D
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 18806
_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 3 3 PRO HA H 3 4.147 4.147 4.509 -0.362 18806
2 1 1 . 1 1 3 3 PRO C C 3 176.083 176.083 176.235 -0.152 18806
3 1 1 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.532 0.883 18806
4 1 1 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.162 -0.285 18806
5 1 1 . 1 1 4 4 TYR N N 4 117.838 117.838 123.972 -6.134 18806
6 1 1 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.579 -0.119 18806
7 1 1 . 1 1 4 4 TYR C C 4 174.569 174.569 175.669 -1.100 18806
8 1 1 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.213 -0.443 18806
9 1 1 . 1 1 4 4 TYR CB C 4 38.430 38.430 36.329 2.101 18806
10 1 1 . 1 1 5 5 GLN N N 5 123.036 123.036 119.476 3.560 18806
11 1 1 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.083 -0.206 18806
12 1 1 . 1 1 5 5 GLN C C 5 175.122 175.122 175.437 -0.315 18806
13 1 1 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.197 0.361 18806
14 1 1 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.503 1.089 18806
15 1 1 . 1 1 6 6 CYS N N 6 125.821 125.821 122.464 3.357 18806
16 1 1 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.754 -0.477 18806
17 1 1 . 1 1 6 6 CYS C C 6 176.578 176.578 175.531 1.047 18806
18 1 1 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.385 0.860 18806
19 1 1 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.317 0.961 18806
20 1 1 . 1 1 7 7 ASP N N 7 129.841 129.841 127.880 1.961 18806
21 1 1 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.378 -0.162 18806
22 1 1 . 1 1 7 7 ASP C C 7 175.676 175.676 176.151 -0.475 18806
23 1 1 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.745 -0.395 18806
24 1 1 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.768 -0.025 18806
25 1 1 . 1 1 8 8 TYR N N 8 119.023 119.023 116.306 2.717 18806
26 1 1 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.700 -0.460 18806
27 1 1 . 1 1 8 8 TYR C C 8 176.440 176.440 176.868 -0.428 18806
28 1 1 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.537 1.009 18806
29 1 1 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.671 -0.611 18806
30 1 1 . 1 1 9 9 CYS N N 9 115.815 115.815 118.104 -2.289 18806
31 1 1 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.806 0.232 18806
32 1 1 . 1 1 9 9 CYS C C 9 175.815 175.815 176.305 -0.490 18806
33 1 1 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.098 -1.788 18806
34 1 1 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.369 2.904 18806
35 1 1 . 1 1 10 10 GLY N N 10 111.402 111.402 109.004 2.398 18806
36 1 1 . 1 1 10 10 GLY C C 10 173.932 173.932 173.435 0.497 18806
37 1 1 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.549 0.490 18806
38 1 1 . 1 1 11 11 ARG N N 11 122.427 122.427 121.090 1.337 18806
39 1 1 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.262 -0.334 18806
40 1 1 . 1 1 11 11 ARG C C 11 174.220 174.220 174.800 -0.580 18806
41 1 1 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.713 3.889 18806
42 1 1 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.982 0.266 18806
43 1 1 . 1 1 12 12 SER N N 12 115.605 115.605 120.881 -5.276 18806
44 1 1 . 1 1 12 12 SER HA H 12 4.896 4.896 4.523 0.373 18806
45 1 1 . 1 1 12 12 SER C C 12 172.775 172.775 173.864 -1.089 18806
46 1 1 . 1 1 12 12 SER CA C 12 57.311 57.311 57.130 0.181 18806
47 1 1 . 1 1 12 12 SER CB C 12 65.516 65.516 63.275 2.241 18806
48 1 1 . 1 1 13 13 PHE N N 13 118.534 118.534 125.564 -7.030 18806
49 1 1 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.623 -0.032 18806
50 1 1 . 1 1 13 13 PHE C C 13 175.330 175.330 176.292 -0.962 18806
51 1 1 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.347 0.022 18806
52 1 1 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.327 3.116 18806
53 1 1 . 1 1 14 14 SER N N 14 114.545 114.545 117.159 -2.614 18806
54 1 1 . 1 1 14 14 SER HA H 14 4.491 4.491 4.570 -0.079 18806
55 1 1 . 1 1 14 14 SER C C 14 173.113 173.113 173.761 -0.648 18806
56 1 1 . 1 1 14 14 SER CA C 14 59.545 59.545 59.728 -0.183 18806
57 1 1 . 1 1 14 14 SER CB C 14 64.037 64.037 63.784 0.253 18806
58 1 1 . 1 1 15 15 ASP N N 15 117.860 117.860 120.555 -2.695 18806
59 1 1 . 1 1 15 15 ASP HA H 15 4.704 4.704 4.895 -0.191 18806
60 1 1 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.131 0.566 18806
61 1 1 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.583 -1.239 18806
62 1 1 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.053 -0.497 18806
63 1 1 . 1 1 16 16 PRO C C 16 178.801 178.801 177.125 1.676 18806
64 1 1 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.116 0.261 18806
65 1 1 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.699 -0.131 18806
66 1 1 . 1 1 17 17 THR N N 17 117.621 117.621 113.466 4.155 18806
67 1 1 . 1 1 17 17 THR HA H 17 3.759 3.759 3.964 -0.205 18806
68 1 1 . 1 1 17 17 THR C C 17 176.424 176.424 176.140 0.284 18806
69 1 1 . 1 1 17 17 THR CA C 17 66.554 66.554 66.374 0.180 18806
70 1 1 . 1 1 17 17 THR CB C 17 67.664 67.664 68.756 -1.092 18806
71 1 1 . 1 1 18 18 SER N N 18 119.883 119.883 116.907 2.976 18806
72 1 1 . 1 1 18 18 SER HA H 18 3.871 3.871 4.224 -0.353 18806
73 1 1 . 1 1 18 18 SER C C 18 177.038 177.038 176.349 0.689 18806
74 1 1 . 1 1 18 18 SER CA C 18 61.906 61.906 61.768 0.138 18806
75 1 1 . 1 1 18 18 SER CB C 18 61.877 61.877 62.852 -0.975 18806
76 1 1 . 1 1 19 19 LYS N N 19 121.563 121.563 121.507 0.056 18806
77 1 1 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.164 -0.551 18806
78 1 1 . 1 1 19 19 LYS C C 19 176.639 176.639 177.570 -0.931 18806
79 1 1 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.029 1.458 18806
80 1 1 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.750 -0.164 18806
81 1 1 . 1 1 20 20 MET N N 20 118.908 118.908 119.784 -0.876 18806
82 1 1 . 1 1 20 20 MET HA H 20 3.927 3.927 4.289 -0.362 18806
83 1 1 . 1 1 20 20 MET C C 20 178.910 178.910 177.937 0.973 18806
84 1 1 . 1 1 20 20 MET CA C 20 58.719 58.719 56.982 1.737 18806
85 1 1 . 1 1 20 20 MET CB C 20 31.756 31.756 32.567 -0.811 18806
86 1 1 . 1 1 21 21 ARG N N 21 118.164 118.164 119.590 -1.426 18806
87 1 1 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.147 -0.242 18806
88 1 1 . 1 1 21 21 ARG C C 21 179.107 179.107 178.923 0.184 18806
89 1 1 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.228 -0.421 18806
90 1 1 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.277 0.824 18806
91 1 1 . 1 1 22 22 HIS N N 22 117.794 117.794 118.438 -0.644 18806
92 1 1 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.129 0.038 18806
93 1 1 . 1 1 22 22 HIS C C 22 178.014 178.014 177.095 0.919 18806
94 1 1 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.354 -0.442 18806
95 1 1 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.524 -1.603 18806
96 1 1 . 1 1 23 23 LEU N N 23 122.319 122.319 117.207 5.112 18806
97 1 1 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.257 -0.473 18806
98 1 1 . 1 1 23 23 LEU C C 23 179.021 179.021 178.287 0.734 18806
99 1 1 . 1 1 23 23 LEU CA C 23 58.592 58.592 56.950 1.641 18806
100 1 1 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.765 -0.107 18806
101 1 1 . 1 1 24 24 GLU N N 24 116.297 116.297 117.373 -1.076 18806
102 1 1 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.266 -0.274 18806
103 1 1 . 1 1 24 24 GLU C C 24 178.251 178.251 179.074 -0.823 18806
104 1 1 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.672 -0.343 18806
105 1 1 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.914 -0.497 18806
106 1 1 . 1 1 25 25 THR N N 25 108.890 108.890 116.132 -7.242 18806
107 1 1 . 1 1 25 25 THR HA H 25 4.010 4.010 4.323 -0.313 18806
108 1 1 . 1 1 25 25 THR C C 25 175.170 175.170 175.185 -0.015 18806
109 1 1 . 1 1 25 25 THR CA C 25 63.499 63.499 64.619 -1.120 18806
110 1 1 . 1 1 25 25 THR CB C 25 69.177 69.177 68.353 0.824 18806
111 1 1 . 1 1 26 26 HIS N N 26 118.044 118.044 120.526 -2.482 18806
112 1 1 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.223 0.244 18806
113 1 1 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.666 -2.405 18806
114 1 1 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.534 -0.892 18806
115 1 2 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.515 -0.368 18806
116 1 2 . 1 1 3 3 PRO C C 3 176.083 176.083 176.003 0.080 18806
117 1 2 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.014 1.401 18806
118 1 2 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.750 -0.873 18806
119 1 2 . 1 1 4 4 TYR N N 4 117.838 117.838 120.686 -2.848 18806
120 1 2 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.713 -0.253 18806
121 1 2 . 1 1 4 4 TYR C C 4 174.569 174.569 175.644 -1.075 18806
122 1 2 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.810 -0.040 18806
123 1 2 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.071 1.359 18806
124 1 2 . 1 1 5 5 GLN N N 5 123.036 123.036 121.216 1.820 18806
125 1 2 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.937 -0.060 18806
126 1 2 . 1 1 5 5 GLN C C 5 175.122 175.122 175.187 -0.065 18806
127 1 2 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.792 -0.234 18806
128 1 2 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.039 1.553 18806
129 1 2 . 1 1 6 6 CYS N N 6 125.821 125.821 121.962 3.859 18806
130 1 2 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.658 -0.381 18806
131 1 2 . 1 1 6 6 CYS C C 6 176.578 176.578 175.754 0.824 18806
132 1 2 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.896 0.349 18806
133 1 2 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.972 1.306 18806
134 1 2 . 1 1 7 7 ASP N N 7 129.841 129.841 129.555 0.286 18806
135 1 2 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.362 -0.146 18806
136 1 2 . 1 1 7 7 ASP C C 7 175.676 175.676 175.778 -0.102 18806
137 1 2 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.601 -0.251 18806
138 1 2 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.437 0.306 18806
139 1 2 . 1 1 8 8 TYR N N 8 119.023 119.023 115.303 3.720 18806
140 1 2 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.677 -0.437 18806
141 1 2 . 1 1 8 8 TYR C C 8 176.440 176.440 175.849 0.591 18806
142 1 2 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.893 1.653 18806
143 1 2 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.167 -0.107 18806
144 1 2 . 1 1 9 9 CYS N N 9 115.815 115.815 117.010 -1.195 18806
145 1 2 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.837 0.201 18806
146 1 2 . 1 1 9 9 CYS C C 9 175.815 175.815 176.172 -0.357 18806
147 1 2 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.931 -1.621 18806
148 1 2 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.078 1.196 18806
149 1 2 . 1 1 10 10 GLY N N 10 111.402 111.402 109.903 1.499 18806
150 1 2 . 1 1 10 10 GLY C C 10 173.932 173.932 173.480 0.452 18806
151 1 2 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.453 0.586 18806
152 1 2 . 1 1 11 11 ARG N N 11 122.427 122.427 121.104 1.323 18806
153 1 2 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.223 -0.295 18806
154 1 2 . 1 1 11 11 ARG C C 11 174.220 174.220 175.183 -0.963 18806
155 1 2 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.559 2.042 18806
156 1 2 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.804 0.444 18806
157 1 2 . 1 1 12 12 SER N N 12 115.605 115.605 120.540 -4.935 18806
158 1 2 . 1 1 12 12 SER HA H 12 4.896 4.896 4.530 0.366 18806
159 1 2 . 1 1 12 12 SER C C 12 172.775 172.775 173.465 -0.690 18806
160 1 2 . 1 1 12 12 SER CA C 12 57.311 57.311 57.688 -0.377 18806
161 1 2 . 1 1 12 12 SER CB C 12 65.516 65.516 63.230 2.286 18806
162 1 2 . 1 1 13 13 PHE N N 13 118.534 118.534 125.511 -6.977 18806
163 1 2 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.679 -0.088 18806
164 1 2 . 1 1 13 13 PHE C C 13 175.330 175.330 176.418 -1.088 18806
165 1 2 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.263 0.106 18806
166 1 2 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.662 2.781 18806
167 1 2 . 1 1 14 14 SER N N 14 114.545 114.545 117.347 -2.802 18806
168 1 2 . 1 1 14 14 SER HA H 14 4.491 4.491 4.569 -0.078 18806
169 1 2 . 1 1 14 14 SER C C 14 173.113 173.113 173.626 -0.513 18806
170 1 2 . 1 1 14 14 SER CA C 14 59.545 59.545 59.278 0.267 18806
171 1 2 . 1 1 14 14 SER CB C 14 64.037 64.037 63.572 0.465 18806
172 1 2 . 1 1 15 15 ASP N N 15 117.860 117.860 120.836 -2.976 18806
173 1 2 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.131 -0.427 18806
174 1 2 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.142 -0.445 18806
175 1 2 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.671 -1.327 18806
176 1 2 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.913 -0.357 18806
177 1 2 . 1 1 16 16 PRO C C 16 178.801 178.801 177.537 1.264 18806
178 1 2 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.733 -0.356 18806
179 1 2 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.315 0.253 18806
180 1 2 . 1 1 17 17 THR N N 17 117.621 117.621 108.871 8.750 18806
181 1 2 . 1 1 17 17 THR HA H 17 3.759 3.759 4.115 -0.356 18806
182 1 2 . 1 1 17 17 THR C C 17 176.424 176.424 176.684 -0.260 18806
183 1 2 . 1 1 17 17 THR CA C 17 66.554 66.554 64.904 1.650 18806
184 1 2 . 1 1 17 17 THR CB C 17 67.664 67.664 68.635 -0.971 18806
185 1 2 . 1 1 18 18 SER N N 18 119.883 119.883 118.195 1.688 18806
186 1 2 . 1 1 18 18 SER HA H 18 3.871 3.871 4.245 -0.374 18806
187 1 2 . 1 1 18 18 SER C C 18 177.038 177.038 176.336 0.702 18806
188 1 2 . 1 1 18 18 SER CA C 18 61.906 61.906 61.589 0.317 18806
189 1 2 . 1 1 18 18 SER CB C 18 61.877 61.877 62.598 -0.721 18806
190 1 2 . 1 1 19 19 LYS N N 19 121.563 121.563 120.667 0.896 18806
191 1 2 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.522 -0.909 18806
192 1 2 . 1 1 19 19 LYS C C 19 176.639 176.639 177.904 -1.265 18806
193 1 2 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.322 1.165 18806
194 1 2 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.098 -0.512 18806
195 1 2 . 1 1 20 20 MET N N 20 118.908 118.908 120.171 -1.263 18806
196 1 2 . 1 1 20 20 MET HA H 20 3.927 3.927 4.380 -0.453 18806
197 1 2 . 1 1 20 20 MET C C 20 178.910 178.910 177.569 1.341 18806
198 1 2 . 1 1 20 20 MET CA C 20 58.719 58.719 57.223 1.496 18806
199 1 2 . 1 1 20 20 MET CB C 20 31.756 31.756 32.673 -0.917 18806
200 1 2 . 1 1 21 21 ARG N N 21 118.164 118.164 119.302 -1.138 18806
201 1 2 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.251 -0.346 18806
202 1 2 . 1 1 21 21 ARG C C 21 179.107 179.107 178.856 0.251 18806
203 1 2 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.167 0.639 18806
204 1 2 . 1 1 21 21 ARG CB C 21 30.101 30.101 28.953 1.148 18806
205 1 2 . 1 1 22 22 HIS N N 22 117.794 117.794 119.411 -1.617 18806
206 1 2 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.291 -0.124 18806
207 1 2 . 1 1 22 22 HIS C C 22 178.014 178.014 177.247 0.767 18806
208 1 2 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.457 -0.545 18806
209 1 2 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.649 -1.728 18806
210 1 2 . 1 1 23 23 LEU N N 23 122.319 122.319 120.338 1.981 18806
211 1 2 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.254 -0.470 18806
212 1 2 . 1 1 23 23 LEU C C 23 179.021 179.021 179.268 -0.247 18806
213 1 2 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.309 0.283 18806
214 1 2 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.074 -0.416 18806
215 1 2 . 1 1 24 24 GLU N N 24 116.297 116.297 116.784 -0.487 18806
216 1 2 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.150 -0.158 18806
217 1 2 . 1 1 24 24 GLU C C 24 178.251 178.251 178.734 -0.483 18806
218 1 2 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.074 -0.745 18806
219 1 2 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.034 0.383 18806
220 1 2 . 1 1 25 25 THR N N 25 108.890 108.890 115.104 -6.214 18806
221 1 2 . 1 1 25 25 THR HA H 25 4.010 4.010 4.183 -0.173 18806
222 1 2 . 1 1 25 25 THR C C 25 175.170 175.170 174.396 0.774 18806
223 1 2 . 1 1 25 25 THR CA C 25 63.499 63.499 64.576 -1.077 18806
224 1 2 . 1 1 25 25 THR CB C 25 69.177 69.177 68.376 0.801 18806
225 1 2 . 1 1 26 26 HIS N N 26 118.044 118.044 117.730 0.314 18806
226 1 2 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.336 0.131 18806
227 1 2 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.396 -3.135 18806
228 1 2 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.114 -1.472 18806
229 1 3 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.438 -0.291 18806
230 1 3 . 1 1 3 3 PRO C C 3 176.083 176.083 175.415 0.668 18806
231 1 3 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.137 1.278 18806
232 1 3 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.403 -0.526 18806
233 1 3 . 1 1 4 4 TYR N N 4 117.838 117.838 120.393 -2.555 18806
234 1 3 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.683 -0.223 18806
235 1 3 . 1 1 4 4 TYR C C 4 174.569 174.569 175.440 -0.871 18806
236 1 3 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.948 -0.178 18806
237 1 3 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.049 -1.619 18806
238 1 3 . 1 1 5 5 GLN N N 5 123.036 123.036 124.254 -1.218 18806
239 1 3 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.582 0.295 18806
240 1 3 . 1 1 5 5 GLN C C 5 175.122 175.122 174.861 0.261 18806
241 1 3 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.813 -1.255 18806
242 1 3 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.126 1.466 18806
243 1 3 . 1 1 6 6 CYS N N 6 125.821 125.821 126.972 -1.151 18806
244 1 3 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.565 -0.288 18806
245 1 3 . 1 1 6 6 CYS C C 6 176.578 176.578 175.906 0.672 18806
246 1 3 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.874 0.371 18806
247 1 3 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.814 1.464 18806
248 1 3 . 1 1 7 7 ASP N N 7 129.841 129.841 129.683 0.158 18806
249 1 3 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.395 -0.179 18806
250 1 3 . 1 1 7 7 ASP C C 7 175.676 175.676 175.758 -0.082 18806
251 1 3 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.428 -0.078 18806
252 1 3 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.501 0.242 18806
253 1 3 . 1 1 8 8 TYR N N 8 119.023 119.023 115.804 3.219 18806
254 1 3 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.655 -0.415 18806
255 1 3 . 1 1 8 8 TYR C C 8 176.440 176.440 176.078 0.362 18806
256 1 3 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.284 1.262 18806
257 1 3 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.453 -0.392 18806
258 1 3 . 1 1 9 9 CYS N N 9 115.815 115.815 117.014 -1.199 18806
259 1 3 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.831 0.207 18806
260 1 3 . 1 1 9 9 CYS C C 9 175.815 175.815 176.118 -0.303 18806
261 1 3 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.678 -1.368 18806
262 1 3 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.683 1.590 18806
263 1 3 . 1 1 10 10 GLY N N 10 111.402 111.402 109.377 2.025 18806
264 1 3 . 1 1 10 10 GLY C C 10 173.932 173.932 173.155 0.777 18806
265 1 3 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.340 0.699 18806
266 1 3 . 1 1 11 11 ARG N N 11 122.427 122.427 120.803 1.624 18806
267 1 3 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.249 -0.321 18806
268 1 3 . 1 1 11 11 ARG C C 11 174.220 174.220 174.633 -0.413 18806
269 1 3 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.453 2.149 18806
270 1 3 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.102 0.146 18806
271 1 3 . 1 1 12 12 SER N N 12 115.605 115.605 121.609 -6.004 18806
272 1 3 . 1 1 12 12 SER HA H 12 4.896 4.896 4.681 0.215 18806
273 1 3 . 1 1 12 12 SER C C 12 172.775 172.775 173.541 -0.766 18806
274 1 3 . 1 1 12 12 SER CA C 12 57.311 57.311 58.308 -0.997 18806
275 1 3 . 1 1 12 12 SER CB C 12 65.516 65.516 63.603 1.913 18806
276 1 3 . 1 1 13 13 PHE N N 13 118.534 118.534 126.228 -7.694 18806
277 1 3 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.596 -0.005 18806
278 1 3 . 1 1 13 13 PHE C C 13 175.330 175.330 176.401 -1.071 18806
279 1 3 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.493 -0.124 18806
280 1 3 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.195 3.248 18806
281 1 3 . 1 1 14 14 SER N N 14 114.545 114.545 117.839 -3.294 18806
282 1 3 . 1 1 14 14 SER HA H 14 4.491 4.491 4.489 0.002 18806
283 1 3 . 1 1 14 14 SER C C 14 173.113 173.113 173.136 -0.023 18806
284 1 3 . 1 1 14 14 SER CA C 14 59.545 59.545 58.055 1.490 18806
285 1 3 . 1 1 14 14 SER CB C 14 64.037 64.037 62.946 1.091 18806
286 1 3 . 1 1 15 15 ASP N N 15 117.860 117.860 119.773 -1.913 18806
287 1 3 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.125 -0.421 18806
288 1 3 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.926 0.770 18806
289 1 3 . 1 1 15 15 ASP CB C 15 42.344 42.344 41.209 1.135 18806
290 1 3 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.184 -0.628 18806
291 1 3 . 1 1 16 16 PRO C C 16 178.801 178.801 177.691 1.110 18806
292 1 3 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.324 -0.947 18806
293 1 3 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.997 -0.429 18806
294 1 3 . 1 1 17 17 THR N N 17 117.621 117.621 111.890 5.731 18806
295 1 3 . 1 1 17 17 THR HA H 17 3.759 3.759 4.147 -0.388 18806
296 1 3 . 1 1 17 17 THR C C 17 176.424 176.424 176.542 -0.118 18806
297 1 3 . 1 1 17 17 THR CA C 17 66.554 66.554 65.227 1.327 18806
298 1 3 . 1 1 17 17 THR CB C 17 67.664 67.664 68.686 -1.022 18806
299 1 3 . 1 1 18 18 SER N N 18 119.883 119.883 117.224 2.659 18806
300 1 3 . 1 1 18 18 SER HA H 18 3.871 3.871 4.270 -0.399 18806
301 1 3 . 1 1 18 18 SER C C 18 177.038 177.038 176.019 1.019 18806
302 1 3 . 1 1 18 18 SER CA C 18 61.906 61.906 61.413 0.493 18806
303 1 3 . 1 1 18 18 SER CB C 18 61.877 61.877 62.998 -1.121 18806
304 1 3 . 1 1 19 19 LYS N N 19 121.563 121.563 121.727 -0.164 18806
305 1 3 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.460 -0.847 18806
306 1 3 . 1 1 19 19 LYS C C 19 176.639 176.639 178.215 -1.576 18806
307 1 3 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.921 0.566 18806
308 1 3 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.147 -0.561 18806
309 1 3 . 1 1 20 20 MET N N 20 118.908 118.908 119.699 -0.791 18806
310 1 3 . 1 1 20 20 MET HA H 20 3.927 3.927 4.279 -0.352 18806
311 1 3 . 1 1 20 20 MET C C 20 178.910 178.910 178.116 0.794 18806
312 1 3 . 1 1 20 20 MET CA C 20 58.719 58.719 57.915 0.804 18806
313 1 3 . 1 1 20 20 MET CB C 20 31.756 31.756 32.123 -0.367 18806
314 1 3 . 1 1 21 21 ARG N N 21 118.164 118.164 118.567 -0.403 18806
315 1 3 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.214 -0.309 18806
316 1 3 . 1 1 21 21 ARG C C 21 179.107 179.107 178.954 0.153 18806
317 1 3 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.979 -0.172 18806
318 1 3 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.865 0.236 18806
319 1 3 . 1 1 22 22 HIS N N 22 117.794 117.794 121.005 -3.211 18806
320 1 3 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.311 -0.144 18806
321 1 3 . 1 1 22 22 HIS C C 22 178.014 178.014 177.197 0.817 18806
322 1 3 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.537 -0.625 18806
323 1 3 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.642 -1.721 18806
324 1 3 . 1 1 23 23 LEU N N 23 122.319 122.319 119.476 2.843 18806
325 1 3 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.404 -0.620 18806
326 1 3 . 1 1 23 23 LEU C C 23 179.021 179.021 179.364 -0.343 18806
327 1 3 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.233 0.358 18806
328 1 3 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.081 -0.423 18806
329 1 3 . 1 1 24 24 GLU N N 24 116.297 116.297 119.142 -2.845 18806
330 1 3 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.042 -0.050 18806
331 1 3 . 1 1 24 24 GLU C C 24 178.251 178.251 178.257 -0.006 18806
332 1 3 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.578 -1.249 18806
333 1 3 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.778 -0.361 18806
334 1 3 . 1 1 25 25 THR N N 25 108.890 108.890 110.946 -2.056 18806
335 1 3 . 1 1 25 25 THR HA H 25 4.010 4.010 4.242 -0.232 18806
336 1 3 . 1 1 25 25 THR C C 25 175.170 175.170 175.863 -0.693 18806
337 1 3 . 1 1 25 25 THR CA C 25 63.499 63.499 63.227 0.272 18806
338 1 3 . 1 1 25 25 THR CB C 25 69.177 69.177 68.189 0.988 18806
339 1 3 . 1 1 26 26 HIS N N 26 118.044 118.044 120.932 -2.888 18806
340 1 3 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.533 -0.066 18806
341 1 3 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.346 -2.085 18806
342 1 3 . 1 1 26 26 HIS CB C 26 28.642 28.642 28.912 -0.270 18806
343 1 4 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.551 -0.404 18806
344 1 4 . 1 1 3 3 PRO C C 3 176.083 176.083 175.495 0.588 18806
345 1 4 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.467 0.948 18806
346 1 4 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.105 -0.228 18806
347 1 4 . 1 1 4 4 TYR N N 4 117.838 117.838 123.842 -6.004 18806
348 1 4 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.607 -0.147 18806
349 1 4 . 1 1 4 4 TYR C C 4 174.569 174.569 175.391 -0.822 18806
350 1 4 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.960 -0.190 18806
351 1 4 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.823 0.607 18806
352 1 4 . 1 1 5 5 GLN N N 5 123.036 123.036 124.361 -1.325 18806
353 1 4 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.502 0.375 18806
354 1 4 . 1 1 5 5 GLN C C 5 175.122 175.122 175.243 -0.121 18806
355 1 4 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.574 -1.016 18806
356 1 4 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.141 1.451 18806
357 1 4 . 1 1 6 6 CYS N N 6 125.821 125.821 127.814 -1.993 18806
358 1 4 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.618 -0.341 18806
359 1 4 . 1 1 6 6 CYS C C 6 176.578 176.578 175.420 1.158 18806
360 1 4 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.488 0.757 18806
361 1 4 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.477 1.801 18806
362 1 4 . 1 1 7 7 ASP N N 7 129.841 129.841 129.761 0.080 18806
363 1 4 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.424 -0.208 18806
364 1 4 . 1 1 7 7 ASP C C 7 175.676 175.676 175.878 -0.202 18806
365 1 4 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.366 -0.016 18806
366 1 4 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.488 0.255 18806
367 1 4 . 1 1 8 8 TYR N N 8 119.023 119.023 116.906 2.117 18806
368 1 4 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.602 -0.362 18806
369 1 4 . 1 1 8 8 TYR C C 8 176.440 176.440 176.772 -0.332 18806
370 1 4 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.836 0.710 18806
371 1 4 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.412 -0.352 18806
372 1 4 . 1 1 9 9 CYS N N 9 115.815 115.815 118.309 -2.494 18806
373 1 4 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.644 0.394 18806
374 1 4 . 1 1 9 9 CYS C C 9 175.815 175.815 176.314 -0.499 18806
375 1 4 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.735 -2.425 18806
376 1 4 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.342 2.931 18806
377 1 4 . 1 1 10 10 GLY N N 10 111.402 111.402 108.262 3.140 18806
378 1 4 . 1 1 10 10 GLY C C 10 173.932 173.932 173.399 0.533 18806
379 1 4 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.232 0.807 18806
380 1 4 . 1 1 11 11 ARG N N 11 122.427 122.427 120.762 1.665 18806
381 1 4 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.265 -0.337 18806
382 1 4 . 1 1 11 11 ARG C C 11 174.220 174.220 174.503 -0.283 18806
383 1 4 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.494 3.108 18806
384 1 4 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.281 -0.033 18806
385 1 4 . 1 1 12 12 SER N N 12 115.605 115.605 120.375 -4.770 18806
386 1 4 . 1 1 12 12 SER HA H 12 4.896 4.896 4.488 0.408 18806
387 1 4 . 1 1 12 12 SER C C 12 172.775 172.775 173.423 -0.648 18806
388 1 4 . 1 1 12 12 SER CA C 12 57.311 57.311 57.419 -0.107 18806
389 1 4 . 1 1 12 12 SER CB C 12 65.516 65.516 63.725 1.790 18806
390 1 4 . 1 1 13 13 PHE N N 13 118.534 118.534 127.057 -8.523 18806
391 1 4 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.721 -0.130 18806
392 1 4 . 1 1 13 13 PHE C C 13 175.330 175.330 176.318 -0.988 18806
393 1 4 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.217 0.152 18806
394 1 4 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.208 3.235 18806
395 1 4 . 1 1 14 14 SER N N 14 114.545 114.545 116.950 -2.405 18806
396 1 4 . 1 1 14 14 SER HA H 14 4.491 4.491 4.532 -0.041 18806
397 1 4 . 1 1 14 14 SER C C 14 173.113 173.113 173.916 -0.803 18806
398 1 4 . 1 1 14 14 SER CA C 14 59.545 59.545 59.426 0.119 18806
399 1 4 . 1 1 14 14 SER CB C 14 64.037 64.037 63.756 0.281 18806
400 1 4 . 1 1 15 15 ASP N N 15 117.860 117.860 120.811 -2.951 18806
401 1 4 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.099 -0.395 18806
402 1 4 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.566 1.131 18806
403 1 4 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.186 -0.842 18806
404 1 4 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.596 -0.040 18806
405 1 4 . 1 1 16 16 PRO C C 16 178.801 178.801 177.487 1.314 18806
406 1 4 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.549 -0.173 18806
407 1 4 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.834 -0.266 18806
408 1 4 . 1 1 17 17 THR N N 17 117.621 117.621 113.405 4.216 18806
409 1 4 . 1 1 17 17 THR HA H 17 3.759 3.759 4.183 -0.424 18806
410 1 4 . 1 1 17 17 THR C C 17 176.424 176.424 176.282 0.142 18806
411 1 4 . 1 1 17 17 THR CA C 17 66.554 66.554 65.999 0.555 18806
412 1 4 . 1 1 17 17 THR CB C 17 67.664 67.664 68.965 -1.301 18806
413 1 4 . 1 1 18 18 SER N N 18 119.883 119.883 116.977 2.906 18806
414 1 4 . 1 1 18 18 SER HA H 18 3.871 3.871 4.168 -0.297 18806
415 1 4 . 1 1 18 18 SER C C 18 177.038 177.038 176.163 0.875 18806
416 1 4 . 1 1 18 18 SER CA C 18 61.906 61.906 61.234 0.672 18806
417 1 4 . 1 1 18 18 SER CB C 18 61.877 61.877 63.062 -1.185 18806
418 1 4 . 1 1 19 19 LYS N N 19 121.563 121.563 120.607 0.956 18806
419 1 4 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.699 -1.086 18806
420 1 4 . 1 1 19 19 LYS C C 19 176.639 176.639 178.076 -1.437 18806
421 1 4 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.580 0.907 18806
422 1 4 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.194 -0.608 18806
423 1 4 . 1 1 20 20 MET N N 20 118.908 118.908 119.508 -0.600 18806
424 1 4 . 1 1 20 20 MET HA H 20 3.927 3.927 4.347 -0.420 18806
425 1 4 . 1 1 20 20 MET C C 20 178.910 178.910 177.934 0.976 18806
426 1 4 . 1 1 20 20 MET CA C 20 58.719 58.719 56.756 1.963 18806
427 1 4 . 1 1 20 20 MET CB C 20 31.756 31.756 32.533 -0.777 18806
428 1 4 . 1 1 21 21 ARG N N 21 118.164 118.164 119.841 -1.677 18806
429 1 4 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.931 -0.026 18806
430 1 4 . 1 1 21 21 ARG C C 21 179.107 179.107 178.482 0.625 18806
431 1 4 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.879 -1.072 18806
432 1 4 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.159 -0.058 18806
433 1 4 . 1 1 22 22 HIS N N 22 117.794 117.794 119.809 -2.015 18806
434 1 4 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.300 -0.133 18806
435 1 4 . 1 1 22 22 HIS C C 22 178.014 178.014 177.384 0.630 18806
436 1 4 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.302 -0.390 18806
437 1 4 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.574 -1.653 18806
438 1 4 . 1 1 23 23 LEU N N 23 122.319 122.319 118.830 3.489 18806
439 1 4 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.260 -0.476 18806
440 1 4 . 1 1 23 23 LEU C C 23 179.021 179.021 179.031 -0.010 18806
441 1 4 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.725 0.867 18806
442 1 4 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.052 0.606 18806
443 1 4 . 1 1 24 24 GLU N N 24 116.297 116.297 117.979 -1.682 18806
444 1 4 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.222 -0.230 18806
445 1 4 . 1 1 24 24 GLU C C 24 178.251 178.251 179.157 -0.906 18806
446 1 4 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.092 -0.763 18806
447 1 4 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.536 -0.119 18806
448 1 4 . 1 1 25 25 THR N N 25 108.890 108.890 116.006 -7.116 18806
449 1 4 . 1 1 25 25 THR HA H 25 4.010 4.010 4.064 -0.054 18806
450 1 4 . 1 1 25 25 THR C C 25 175.170 175.170 175.752 -0.582 18806
451 1 4 . 1 1 25 25 THR CA C 25 63.499 63.499 66.189 -2.690 18806
452 1 4 . 1 1 25 25 THR CB C 25 69.177 69.177 68.488 0.689 18806
453 1 4 . 1 1 26 26 HIS N N 26 118.044 118.044 117.142 0.902 18806
454 1 4 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.354 0.113 18806
455 1 4 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.942 -2.681 18806
456 1 4 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.344 -0.702 18806
457 1 5 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.476 -0.329 18806
458 1 5 . 1 1 3 3 PRO C C 3 176.083 176.083 175.438 0.645 18806
459 1 5 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.459 0.956 18806
460 1 5 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.880 -0.003 18806
461 1 5 . 1 1 4 4 TYR N N 4 117.838 117.838 123.069 -5.231 18806
462 1 5 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.874 -0.414 18806
463 1 5 . 1 1 4 4 TYR C C 4 174.569 174.569 174.558 0.011 18806
464 1 5 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.335 0.435 18806
465 1 5 . 1 1 4 4 TYR CB C 4 38.430 38.430 43.085 -4.655 18806
466 1 5 . 1 1 5 5 GLN N N 5 123.036 123.036 118.664 4.372 18806
467 1 5 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.499 -0.622 18806
468 1 5 . 1 1 5 5 GLN C C 5 175.122 175.122 175.256 -0.134 18806
469 1 5 . 1 1 5 5 GLN CA C 5 54.558 54.558 53.278 1.280 18806
470 1 5 . 1 1 5 5 GLN CB C 5 31.592 31.592 32.231 -0.639 18806
471 1 5 . 1 1 6 6 CYS N N 6 125.821 125.821 121.883 3.938 18806
472 1 5 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.697 -0.420 18806
473 1 5 . 1 1 6 6 CYS C C 6 176.578 176.578 175.343 1.235 18806
474 1 5 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.574 0.671 18806
475 1 5 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.905 1.373 18806
476 1 5 . 1 1 7 7 ASP N N 7 129.841 129.841 129.984 -0.143 18806
477 1 5 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.471 -0.255 18806
478 1 5 . 1 1 7 7 ASP C C 7 175.676 175.676 176.065 -0.389 18806
479 1 5 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.590 -0.240 18806
480 1 5 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.504 0.239 18806
481 1 5 . 1 1 8 8 TYR N N 8 119.023 119.023 116.914 2.109 18806
482 1 5 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806
483 1 5 . 1 1 8 8 TYR C C 8 176.440 176.440 176.373 0.067 18806
484 1 5 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.261 1.285 18806
485 1 5 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.486 -0.426 18806
486 1 5 . 1 1 9 9 CYS N N 9 115.815 115.815 117.121 -1.306 18806
487 1 5 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.818 0.220 18806
488 1 5 . 1 1 9 9 CYS C C 9 175.815 175.815 176.183 -0.368 18806
489 1 5 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.088 -1.778 18806
490 1 5 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.878 1.395 18806
491 1 5 . 1 1 10 10 GLY N N 10 111.402 111.402 109.117 2.285 18806
492 1 5 . 1 1 10 10 GLY C C 10 173.932 173.932 173.513 0.419 18806
493 1 5 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.466 0.573 18806
494 1 5 . 1 1 11 11 ARG N N 11 122.427 122.427 120.471 1.956 18806
495 1 5 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.263 -0.335 18806
496 1 5 . 1 1 11 11 ARG C C 11 174.220 174.220 174.986 -0.766 18806
497 1 5 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.607 1.995 18806
498 1 5 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.089 0.159 18806
499 1 5 . 1 1 12 12 SER N N 12 115.605 115.605 120.264 -4.659 18806
500 1 5 . 1 1 12 12 SER HA H 12 4.896 4.896 5.166 -0.270 18806
501 1 5 . 1 1 12 12 SER C C 12 172.775 172.775 173.851 -1.076 18806
502 1 5 . 1 1 12 12 SER CA C 12 57.311 57.311 58.855 -1.544 18806
503 1 5 . 1 1 12 12 SER CB C 12 65.516 65.516 63.463 2.053 18806
504 1 5 . 1 1 13 13 PHE N N 13 118.534 118.534 126.276 -7.742 18806
505 1 5 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.650 -0.059 18806
506 1 5 . 1 1 13 13 PHE C C 13 175.330 175.330 176.210 -0.880 18806
507 1 5 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.357 0.012 18806
508 1 5 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.997 3.446 18806
509 1 5 . 1 1 14 14 SER N N 14 114.545 114.545 116.879 -2.334 18806
510 1 5 . 1 1 14 14 SER HA H 14 4.491 4.491 4.701 -0.210 18806
511 1 5 . 1 1 14 14 SER C C 14 173.113 173.113 173.764 -0.651 18806
512 1 5 . 1 1 14 14 SER CA C 14 59.545 59.545 58.080 1.465 18806
513 1 5 . 1 1 14 14 SER CB C 14 64.037 64.037 63.483 0.554 18806
514 1 5 . 1 1 15 15 ASP N N 15 117.860 117.860 118.094 -0.234 18806
515 1 5 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.034 -0.330 18806
516 1 5 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.663 1.034 18806
517 1 5 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.482 -0.138 18806
518 1 5 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.125 -0.569 18806
519 1 5 . 1 1 16 16 PRO C C 16 178.801 178.801 178.608 0.193 18806
520 1 5 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.647 -1.270 18806
521 1 5 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.051 -0.483 18806
522 1 5 . 1 1 17 17 THR N N 17 117.621 117.621 112.108 5.513 18806
523 1 5 . 1 1 17 17 THR HA H 17 3.759 3.759 4.088 -0.329 18806
524 1 5 . 1 1 17 17 THR C C 17 176.424 176.424 176.394 0.030 18806
525 1 5 . 1 1 17 17 THR CA C 17 66.554 66.554 66.069 0.485 18806
526 1 5 . 1 1 17 17 THR CB C 17 67.664 67.664 68.483 -0.819 18806
527 1 5 . 1 1 18 18 SER N N 18 119.883 119.883 116.484 3.399 18806
528 1 5 . 1 1 18 18 SER HA H 18 3.871 3.871 4.285 -0.414 18806
529 1 5 . 1 1 18 18 SER C C 18 177.038 177.038 176.183 0.855 18806
530 1 5 . 1 1 18 18 SER CA C 18 61.906 61.906 61.444 0.462 18806
531 1 5 . 1 1 18 18 SER CB C 18 61.877 61.877 62.820 -0.943 18806
532 1 5 . 1 1 19 19 LYS N N 19 121.563 121.563 122.319 -0.756 18806
533 1 5 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.542 -0.929 18806
534 1 5 . 1 1 19 19 LYS C C 19 176.639 176.639 177.658 -1.019 18806
535 1 5 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.815 0.672 18806
536 1 5 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806
537 1 5 . 1 1 20 20 MET N N 20 118.908 118.908 120.030 -1.122 18806
538 1 5 . 1 1 20 20 MET HA H 20 3.927 3.927 4.266 -0.339 18806
539 1 5 . 1 1 20 20 MET C C 20 178.910 178.910 177.969 0.941 18806
540 1 5 . 1 1 20 20 MET CA C 20 58.719 58.719 57.680 1.039 18806
541 1 5 . 1 1 20 20 MET CB C 20 31.756 31.756 32.216 -0.460 18806
542 1 5 . 1 1 21 21 ARG N N 21 118.164 118.164 118.095 0.069 18806
543 1 5 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.021 -0.116 18806
544 1 5 . 1 1 21 21 ARG C C 21 179.107 179.107 178.636 0.471 18806
545 1 5 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.251 0.556 18806
546 1 5 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.086 1.015 18806
547 1 5 . 1 1 22 22 HIS N N 22 117.794 117.794 120.808 -3.014 18806
548 1 5 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.352 -0.185 18806
549 1 5 . 1 1 22 22 HIS C C 22 178.014 178.014 177.525 0.489 18806
550 1 5 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.338 -0.426 18806
551 1 5 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.619 -1.698 18806
552 1 5 . 1 1 23 23 LEU N N 23 122.319 122.319 118.384 3.935 18806
553 1 5 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.142 -0.358 18806
554 1 5 . 1 1 23 23 LEU C C 23 179.021 179.021 178.733 0.288 18806
555 1 5 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.362 1.230 18806
556 1 5 . 1 1 23 23 LEU CB C 23 41.658 41.658 40.848 0.810 18806
557 1 5 . 1 1 24 24 GLU N N 24 116.297 116.297 118.104 -1.807 18806
558 1 5 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.145 -0.153 18806
559 1 5 . 1 1 24 24 GLU C C 24 178.251 178.251 179.409 -1.158 18806
560 1 5 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.126 -0.797 18806
561 1 5 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.583 -0.166 18806
562 1 5 . 1 1 25 25 THR N N 25 108.890 108.890 110.229 -1.339 18806
563 1 5 . 1 1 25 25 THR HA H 25 4.010 4.010 4.174 -0.164 18806
564 1 5 . 1 1 25 25 THR C C 25 175.170 175.170 175.514 -0.344 18806
565 1 5 . 1 1 25 25 THR CA C 25 63.499 63.499 63.959 -0.460 18806
566 1 5 . 1 1 25 25 THR CB C 25 69.177 69.177 68.233 0.944 18806
567 1 5 . 1 1 26 26 HIS N N 26 118.044 118.044 119.764 -1.720 18806
568 1 5 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.379 0.088 18806
569 1 5 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.674 -3.413 18806
570 1 5 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.023 -1.381 18806
571 1 6 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.229 -0.082 18806
572 1 6 . 1 1 3 3 PRO C C 3 176.083 176.083 175.315 0.768 18806
573 1 6 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.150 1.265 18806
574 1 6 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.294 -0.417 18806
575 1 6 . 1 1 4 4 TYR N N 4 117.838 117.838 117.864 -0.026 18806
576 1 6 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.750 -0.290 18806
577 1 6 . 1 1 4 4 TYR C C 4 174.569 174.569 175.027 -0.458 18806
578 1 6 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.865 -0.095 18806
579 1 6 . 1 1 4 4 TYR CB C 4 38.430 38.430 41.339 -2.909 18806
580 1 6 . 1 1 5 5 GLN N N 5 123.036 123.036 123.536 -0.500 18806
581 1 6 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.940 -0.063 18806
582 1 6 . 1 1 5 5 GLN C C 5 175.122 175.122 174.897 0.225 18806
583 1 6 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.377 -0.819 18806
584 1 6 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.423 1.169 18806
585 1 6 . 1 1 6 6 CYS N N 6 125.821 125.821 126.165 -0.344 18806
586 1 6 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.571 -0.294 18806
587 1 6 . 1 1 6 6 CYS C C 6 176.578 176.578 176.090 0.488 18806
588 1 6 . 1 1 6 6 CYS CA C 6 60.245 60.245 60.135 0.110 18806
589 1 6 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.067 1.211 18806
590 1 6 . 1 1 7 7 ASP N N 7 129.841 129.841 127.417 2.424 18806
591 1 6 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.282 -0.066 18806
592 1 6 . 1 1 7 7 ASP C C 7 175.676 175.676 175.683 -0.007 18806
593 1 6 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.596 -0.247 18806
594 1 6 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.533 0.210 18806
595 1 6 . 1 1 8 8 TYR N N 8 119.023 119.023 115.496 3.527 18806
596 1 6 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.678 -0.438 18806
597 1 6 . 1 1 8 8 TYR C C 8 176.440 176.440 176.123 0.317 18806
598 1 6 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.938 1.608 18806
599 1 6 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.775 -0.715 18806
600 1 6 . 1 1 9 9 CYS N N 9 115.815 115.815 117.532 -1.717 18806
601 1 6 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.810 0.228 18806
602 1 6 . 1 1 9 9 CYS C C 9 175.815 175.815 176.178 -0.363 18806
603 1 6 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.126 -1.816 18806
604 1 6 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.664 1.609 18806
605 1 6 . 1 1 10 10 GLY N N 10 111.402 111.402 109.467 1.935 18806
606 1 6 . 1 1 10 10 GLY C C 10 173.932 173.932 173.359 0.573 18806
607 1 6 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.423 0.616 18806
608 1 6 . 1 1 11 11 ARG N N 11 122.427 122.427 121.318 1.109 18806
609 1 6 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.233 -0.305 18806
610 1 6 . 1 1 11 11 ARG C C 11 174.220 174.220 175.157 -0.937 18806
611 1 6 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.809 1.793 18806
612 1 6 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.781 0.467 18806
613 1 6 . 1 1 12 12 SER N N 12 115.605 115.605 121.421 -5.816 18806
614 1 6 . 1 1 12 12 SER HA H 12 4.896 4.896 4.707 0.189 18806
615 1 6 . 1 1 12 12 SER C C 12 172.775 172.775 173.669 -0.894 18806
616 1 6 . 1 1 12 12 SER CA C 12 57.311 57.311 58.677 -1.366 18806
617 1 6 . 1 1 12 12 SER CB C 12 65.516 65.516 63.293 2.223 18806
618 1 6 . 1 1 13 13 PHE N N 13 118.534 118.534 125.363 -6.829 18806
619 1 6 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.706 -0.115 18806
620 1 6 . 1 1 13 13 PHE C C 13 175.330 175.330 176.169 -0.839 18806
621 1 6 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.198 0.171 18806
622 1 6 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.023 3.420 18806
623 1 6 . 1 1 14 14 SER N N 14 114.545 114.545 119.848 -5.303 18806
624 1 6 . 1 1 14 14 SER HA H 14 4.491 4.491 4.391 0.100 18806
625 1 6 . 1 1 14 14 SER C C 14 173.113 173.113 173.565 -0.452 18806
626 1 6 . 1 1 14 14 SER CA C 14 59.545 59.545 59.940 -0.395 18806
627 1 6 . 1 1 14 14 SER CB C 14 64.037 64.037 63.499 0.538 18806
628 1 6 . 1 1 15 15 ASP N N 15 117.860 117.860 121.150 -3.290 18806
629 1 6 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.107 -0.403 18806
630 1 6 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.116 0.581 18806
631 1 6 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.154 -0.810 18806
632 1 6 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.425 -0.869 18806
633 1 6 . 1 1 16 16 PRO C C 16 178.801 178.801 177.358 1.443 18806
634 1 6 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.573 -0.196 18806
635 1 6 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.984 -0.416 18806
636 1 6 . 1 1 17 17 THR N N 17 117.621 117.621 113.330 4.291 18806
637 1 6 . 1 1 17 17 THR HA H 17 3.759 3.759 4.210 -0.451 18806
638 1 6 . 1 1 17 17 THR C C 17 176.424 176.424 176.688 -0.264 18806
639 1 6 . 1 1 17 17 THR CA C 17 66.554 66.554 65.992 0.562 18806
640 1 6 . 1 1 17 17 THR CB C 17 67.664 67.664 68.935 -1.271 18806
641 1 6 . 1 1 18 18 SER N N 18 119.883 119.883 117.341 2.542 18806
642 1 6 . 1 1 18 18 SER HA H 18 3.871 3.871 4.336 -0.465 18806
643 1 6 . 1 1 18 18 SER C C 18 177.038 177.038 176.343 0.695 18806
644 1 6 . 1 1 18 18 SER CA C 18 61.906 61.906 61.801 0.105 18806
645 1 6 . 1 1 18 18 SER CB C 18 61.877 61.877 62.983 -1.106 18806
646 1 6 . 1 1 19 19 LYS N N 19 121.563 121.563 122.518 -0.955 18806
647 1 6 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.559 -0.946 18806
648 1 6 . 1 1 19 19 LYS C C 19 176.639 176.639 178.156 -1.517 18806
649 1 6 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.094 0.393 18806
650 1 6 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.039 -0.453 18806
651 1 6 . 1 1 20 20 MET N N 20 118.908 118.908 119.344 -0.436 18806
652 1 6 . 1 1 20 20 MET HA H 20 3.927 3.927 4.243 -0.316 18806
653 1 6 . 1 1 20 20 MET C C 20 178.910 178.910 177.936 0.974 18806
654 1 6 . 1 1 20 20 MET CA C 20 58.719 58.719 57.758 0.961 18806
655 1 6 . 1 1 20 20 MET CB C 20 31.756 31.756 32.145 -0.389 18806
656 1 6 . 1 1 21 21 ARG N N 21 118.164 118.164 118.372 -0.208 18806
657 1 6 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.005 -0.100 18806
658 1 6 . 1 1 21 21 ARG C C 21 179.107 179.107 178.892 0.215 18806
659 1 6 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.457 0.350 18806
660 1 6 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.105 0.996 18806
661 1 6 . 1 1 22 22 HIS N N 22 117.794 117.794 120.814 -3.020 18806
662 1 6 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.246 -0.079 18806
663 1 6 . 1 1 22 22 HIS C C 22 178.014 178.014 177.388 0.626 18806
664 1 6 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.511 -0.599 18806
665 1 6 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.616 -1.695 18806
666 1 6 . 1 1 23 23 LEU N N 23 122.319 122.319 119.585 2.734 18806
667 1 6 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.194 -0.410 18806
668 1 6 . 1 1 23 23 LEU C C 23 179.021 179.021 179.112 -0.091 18806
669 1 6 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.871 0.721 18806
670 1 6 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.130 0.528 18806
671 1 6 . 1 1 24 24 GLU N N 24 116.297 116.297 117.730 -1.433 18806
672 1 6 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.146 -0.154 18806
673 1 6 . 1 1 24 24 GLU C C 24 178.251 178.251 179.482 -1.231 18806
674 1 6 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.035 -0.706 18806
675 1 6 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.252 0.165 18806
676 1 6 . 1 1 25 25 THR N N 25 108.890 108.890 116.131 -7.241 18806
677 1 6 . 1 1 25 25 THR HA H 25 4.010 4.010 4.076 -0.066 18806
678 1 6 . 1 1 25 25 THR C C 25 175.170 175.170 175.476 -0.306 18806
679 1 6 . 1 1 25 25 THR CA C 25 63.499 63.499 65.508 -2.009 18806
680 1 6 . 1 1 25 25 THR CB C 25 69.177 69.177 68.452 0.725 18806
681 1 6 . 1 1 26 26 HIS N N 26 118.044 118.044 117.757 0.287 18806
682 1 6 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.362 0.105 18806
683 1 6 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.483 -4.222 18806
684 1 6 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.653 -1.011 18806
685 1 7 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.698 -0.551 18806
686 1 7 . 1 1 3 3 PRO C C 3 176.083 176.083 175.783 0.300 18806
687 1 7 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.445 0.970 18806
688 1 7 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.311 -0.434 18806
689 1 7 . 1 1 4 4 TYR N N 4 117.838 117.838 124.492 -6.654 18806
690 1 7 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.697 -0.237 18806
691 1 7 . 1 1 4 4 TYR C C 4 174.569 174.569 175.631 -1.062 18806
692 1 7 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.171 -0.401 18806
693 1 7 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.412 0.018 18806
694 1 7 . 1 1 5 5 GLN N N 5 123.036 123.036 122.985 0.051 18806
695 1 7 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.157 -0.280 18806
696 1 7 . 1 1 5 5 GLN C C 5 175.122 175.122 175.561 -0.439 18806
697 1 7 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.388 -0.830 18806
698 1 7 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.637 0.955 18806
699 1 7 . 1 1 6 6 CYS N N 6 125.821 125.821 123.798 2.023 18806
700 1 7 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.631 -0.354 18806
701 1 7 . 1 1 6 6 CYS C C 6 176.578 176.578 174.917 1.661 18806
702 1 7 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.144 2.101 18806
703 1 7 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.131 2.147 18806
704 1 7 . 1 1 7 7 ASP N N 7 129.841 129.841 130.154 -0.313 18806
705 1 7 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.421 -0.205 18806
706 1 7 . 1 1 7 7 ASP C C 7 175.676 175.676 176.009 -0.333 18806
707 1 7 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.346 0.004 18806
708 1 7 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.356 0.387 18806
709 1 7 . 1 1 8 8 TYR N N 8 119.023 119.023 116.661 2.362 18806
710 1 7 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.609 -0.369 18806
711 1 7 . 1 1 8 8 TYR C C 8 176.440 176.440 176.501 -0.061 18806
712 1 7 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.672 0.874 18806
713 1 7 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.446 -0.385 18806
714 1 7 . 1 1 9 9 CYS N N 9 115.815 115.815 117.830 -2.015 18806
715 1 7 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.846 0.192 18806
716 1 7 . 1 1 9 9 CYS C C 9 175.815 175.815 176.132 -0.317 18806
717 1 7 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.534 -2.224 18806
718 1 7 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.241 2.032 18806
719 1 7 . 1 1 10 10 GLY N N 10 111.402 111.402 109.552 1.850 18806
720 1 7 . 1 1 10 10 GLY C C 10 173.932 173.932 173.329 0.603 18806
721 1 7 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.365 0.674 18806
722 1 7 . 1 1 11 11 ARG N N 11 122.427 122.427 120.665 1.762 18806
723 1 7 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.537 -0.609 18806
724 1 7 . 1 1 11 11 ARG C C 11 174.220 174.220 174.494 -0.274 18806
725 1 7 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.632 2.970 18806
726 1 7 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.385 -1.137 18806
727 1 7 . 1 1 12 12 SER N N 12 115.605 115.605 121.107 -5.502 18806
728 1 7 . 1 1 12 12 SER HA H 12 4.896 4.896 4.717 0.179 18806
729 1 7 . 1 1 12 12 SER C C 12 172.775 172.775 173.741 -0.966 18806
730 1 7 . 1 1 12 12 SER CA C 12 57.311 57.311 58.135 -0.824 18806
731 1 7 . 1 1 12 12 SER CB C 12 65.516 65.516 63.296 2.220 18806
732 1 7 . 1 1 13 13 PHE N N 13 118.534 118.534 125.707 -7.173 18806
733 1 7 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.682 -0.091 18806
734 1 7 . 1 1 13 13 PHE C C 13 175.330 175.330 176.576 -1.246 18806
735 1 7 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.203 0.167 18806
736 1 7 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.398 3.045 18806
737 1 7 . 1 1 14 14 SER N N 14 114.545 114.545 116.064 -1.519 18806
738 1 7 . 1 1 14 14 SER HA H 14 4.491 4.491 4.529 -0.038 18806
739 1 7 . 1 1 14 14 SER C C 14 173.113 173.113 173.443 -0.330 18806
740 1 7 . 1 1 14 14 SER CA C 14 59.545 59.545 58.699 0.846 18806
741 1 7 . 1 1 14 14 SER CB C 14 64.037 64.037 63.645 0.392 18806
742 1 7 . 1 1 15 15 ASP N N 15 117.860 117.860 121.423 -3.563 18806
743 1 7 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.122 -0.418 18806
744 1 7 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.982 0.715 18806
745 1 7 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.054 -0.710 18806
746 1 7 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.859 -0.303 18806
747 1 7 . 1 1 16 16 PRO C C 16 178.801 178.801 177.803 0.998 18806
748 1 7 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.687 -0.310 18806
749 1 7 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.801 -0.233 18806
750 1 7 . 1 1 17 17 THR N N 17 117.621 117.621 113.901 3.720 18806
751 1 7 . 1 1 17 17 THR HA H 17 3.759 3.759 4.056 -0.297 18806
752 1 7 . 1 1 17 17 THR C C 17 176.424 176.424 176.607 -0.183 18806
753 1 7 . 1 1 17 17 THR CA C 17 66.554 66.554 66.994 -0.440 18806
754 1 7 . 1 1 17 17 THR CB C 17 67.664 67.664 68.305 -0.641 18806
755 1 7 . 1 1 18 18 SER N N 18 119.883 119.883 117.235 2.648 18806
756 1 7 . 1 1 18 18 SER HA H 18 3.871 3.871 4.294 -0.423 18806
757 1 7 . 1 1 18 18 SER C C 18 177.038 177.038 176.033 1.005 18806
758 1 7 . 1 1 18 18 SER CA C 18 61.906 61.906 62.113 -0.207 18806
759 1 7 . 1 1 18 18 SER CB C 18 61.877 61.877 62.949 -1.071 18806
760 1 7 . 1 1 19 19 LYS N N 19 121.563 121.563 121.490 0.073 18806
761 1 7 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.567 -0.954 18806
762 1 7 . 1 1 19 19 LYS C C 19 176.639 176.639 177.451 -0.812 18806
763 1 7 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.578 0.909 18806
764 1 7 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.038 -0.453 18806
765 1 7 . 1 1 20 20 MET N N 20 118.908 118.908 120.081 -1.173 18806
766 1 7 . 1 1 20 20 MET HA H 20 3.927 3.927 4.278 -0.351 18806
767 1 7 . 1 1 20 20 MET C C 20 178.910 178.910 178.224 0.686 18806
768 1 7 . 1 1 20 20 MET CA C 20 58.719 58.719 57.596 1.123 18806
769 1 7 . 1 1 20 20 MET CB C 20 31.756 31.756 31.819 -0.063 18806
770 1 7 . 1 1 21 21 ARG N N 21 118.164 118.164 118.348 -0.184 18806
771 1 7 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.983 -0.078 18806
772 1 7 . 1 1 21 21 ARG C C 21 179.107 179.107 178.775 0.332 18806
773 1 7 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.680 0.127 18806
774 1 7 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.117 0.984 18806
775 1 7 . 1 1 22 22 HIS N N 22 117.794 117.794 120.303 -2.509 18806
776 1 7 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.331 -0.164 18806
777 1 7 . 1 1 22 22 HIS C C 22 178.014 178.014 177.577 0.437 18806
778 1 7 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.537 -0.625 18806
779 1 7 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.591 -1.670 18806
780 1 7 . 1 1 23 23 LEU N N 23 122.319 122.319 119.737 2.582 18806
781 1 7 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.179 -0.396 18806
782 1 7 . 1 1 23 23 LEU C C 23 179.021 179.021 179.665 -0.644 18806
783 1 7 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.105 0.487 18806
784 1 7 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.838 -0.180 18806
785 1 7 . 1 1 24 24 GLU N N 24 116.297 116.297 119.602 -3.305 18806
786 1 7 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.104 -0.112 18806
787 1 7 . 1 1 24 24 GLU C C 24 178.251 178.251 178.506 -0.255 18806
788 1 7 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.329 -1.000 18806
789 1 7 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.226 0.191 18806
790 1 7 . 1 1 25 25 THR N N 25 108.890 108.890 114.967 -6.077 18806
791 1 7 . 1 1 25 25 THR HA H 25 4.010 4.010 4.383 -0.373 18806
792 1 7 . 1 1 25 25 THR C C 25 175.170 175.170 175.485 -0.315 18806
793 1 7 . 1 1 25 25 THR CA C 25 63.499 63.499 65.404 -1.905 18806
794 1 7 . 1 1 25 25 THR CB C 25 69.177 69.177 68.412 0.766 18806
795 1 7 . 1 1 26 26 HIS N N 26 118.044 118.044 118.587 -0.543 18806
796 1 7 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.317 0.150 18806
797 1 7 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.629 -3.368 18806
798 1 7 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.777 -1.135 18806
799 1 8 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.445 -0.298 18806
800 1 8 . 1 1 3 3 PRO C C 3 176.083 176.083 174.965 1.118 18806
801 1 8 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.246 1.169 18806
802 1 8 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.646 0.231 18806
803 1 8 . 1 1 4 4 TYR N N 4 117.838 117.838 123.657 -5.819 18806
804 1 8 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.699 -0.239 18806
805 1 8 . 1 1 4 4 TYR C C 4 174.569 174.569 175.275 -0.706 18806
806 1 8 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.803 -0.033 18806
807 1 8 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.277 -1.847 18806
808 1 8 . 1 1 5 5 GLN N N 5 123.036 123.036 123.130 -0.094 18806
809 1 8 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.462 0.415 18806
810 1 8 . 1 1 5 5 GLN C C 5 175.122 175.122 175.272 -0.150 18806
811 1 8 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.425 -0.867 18806
812 1 8 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.635 1.957 18806
813 1 8 . 1 1 6 6 CYS N N 6 125.821 125.821 125.472 0.349 18806
814 1 8 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.533 -0.256 18806
815 1 8 . 1 1 6 6 CYS C C 6 176.578 176.578 175.736 0.842 18806
816 1 8 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.643 0.602 18806
817 1 8 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.747 1.532 18806
818 1 8 . 1 1 7 7 ASP N N 7 129.841 129.841 129.316 0.525 18806
819 1 8 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.382 -0.166 18806
820 1 8 . 1 1 7 7 ASP C C 7 175.676 175.676 176.136 -0.460 18806
821 1 8 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.458 -0.108 18806
822 1 8 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.481 0.262 18806
823 1 8 . 1 1 8 8 TYR N N 8 119.023 119.023 116.565 2.458 18806
824 1 8 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.619 -0.379 18806
825 1 8 . 1 1 8 8 TYR C C 8 176.440 176.440 176.575 -0.135 18806
826 1 8 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.753 0.793 18806
827 1 8 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.730 -0.670 18806
828 1 8 . 1 1 9 9 CYS N N 9 115.815 115.815 117.902 -2.087 18806
829 1 8 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.771 0.267 18806
830 1 8 . 1 1 9 9 CYS C C 9 175.815 175.815 176.216 -0.401 18806
831 1 8 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.489 -2.179 18806
832 1 8 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.110 2.163 18806
833 1 8 . 1 1 10 10 GLY N N 10 111.402 111.402 108.767 2.635 18806
834 1 8 . 1 1 10 10 GLY C C 10 173.932 173.932 173.510 0.422 18806
835 1 8 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.300 0.739 18806
836 1 8 . 1 1 11 11 ARG N N 11 122.427 122.427 121.071 1.356 18806
837 1 8 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.220 -0.292 18806
838 1 8 . 1 1 11 11 ARG C C 11 174.220 174.220 174.627 -0.407 18806
839 1 8 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.462 3.140 18806
840 1 8 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.003 0.245 18806
841 1 8 . 1 1 12 12 SER N N 12 115.605 115.605 120.049 -4.444 18806
842 1 8 . 1 1 12 12 SER HA H 12 4.896 4.896 4.594 0.302 18806
843 1 8 . 1 1 12 12 SER C C 12 172.775 172.775 173.570 -0.795 18806
844 1 8 . 1 1 12 12 SER CA C 12 57.311 57.311 57.563 -0.252 18806
845 1 8 . 1 1 12 12 SER CB C 12 65.516 65.516 63.656 1.860 18806
846 1 8 . 1 1 13 13 PHE N N 13 118.534 118.534 125.227 -6.693 18806
847 1 8 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.779 -0.188 18806
848 1 8 . 1 1 13 13 PHE C C 13 175.330 175.330 176.542 -1.212 18806
849 1 8 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.953 0.416 18806
850 1 8 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.258 3.185 18806
851 1 8 . 1 1 14 14 SER N N 14 114.545 114.545 118.167 -3.622 18806
852 1 8 . 1 1 14 14 SER HA H 14 4.491 4.491 4.705 -0.214 18806
853 1 8 . 1 1 14 14 SER C C 14 173.113 173.113 173.778 -0.665 18806
854 1 8 . 1 1 14 14 SER CA C 14 59.545 59.545 59.421 0.124 18806
855 1 8 . 1 1 14 14 SER CB C 14 64.037 64.037 63.739 0.298 18806
856 1 8 . 1 1 15 15 ASP N N 15 117.860 117.860 121.563 -3.703 18806
857 1 8 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.154 -0.450 18806
858 1 8 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.929 -0.232 18806
859 1 8 . 1 1 15 15 ASP CB C 15 42.344 42.344 44.031 -1.687 18806
860 1 8 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.099 -0.543 18806
861 1 8 . 1 1 16 16 PRO C C 16 178.801 178.801 177.404 1.397 18806
862 1 8 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.327 -0.950 18806
863 1 8 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.137 -0.569 18806
864 1 8 . 1 1 17 17 THR N N 17 117.621 117.621 111.422 6.199 18806
865 1 8 . 1 1 17 17 THR HA H 17 3.759 3.759 4.109 -0.350 18806
866 1 8 . 1 1 17 17 THR C C 17 176.424 176.424 176.312 0.112 18806
867 1 8 . 1 1 17 17 THR CA C 17 66.554 66.554 66.896 -0.342 18806
868 1 8 . 1 1 17 17 THR CB C 17 67.664 67.664 67.870 -0.206 18806
869 1 8 . 1 1 18 18 SER N N 18 119.883 119.883 117.547 2.336 18806
870 1 8 . 1 1 18 18 SER HA H 18 3.871 3.871 4.302 -0.431 18806
871 1 8 . 1 1 18 18 SER C C 18 177.038 177.038 176.162 0.876 18806
872 1 8 . 1 1 18 18 SER CA C 18 61.906 61.906 61.590 0.316 18806
873 1 8 . 1 1 18 18 SER CB C 18 61.877 61.877 62.596 -0.719 18806
874 1 8 . 1 1 19 19 LYS N N 19 121.563 121.563 121.319 0.244 18806
875 1 8 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.560 -0.947 18806
876 1 8 . 1 1 19 19 LYS C C 19 176.639 176.639 177.944 -1.305 18806
877 1 8 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.919 0.568 18806
878 1 8 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.472 -0.886 18806
879 1 8 . 1 1 20 20 MET N N 20 118.908 118.908 119.575 -0.667 18806
880 1 8 . 1 1 20 20 MET HA H 20 3.927 3.927 4.302 -0.375 18806
881 1 8 . 1 1 20 20 MET C C 20 178.910 178.910 177.703 1.207 18806
882 1 8 . 1 1 20 20 MET CA C 20 58.719 58.719 58.349 0.370 18806
883 1 8 . 1 1 20 20 MET CB C 20 31.756 31.756 32.767 -1.011 18806
884 1 8 . 1 1 21 21 ARG N N 21 118.164 118.164 119.563 -1.399 18806
885 1 8 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.887 0.018 18806
886 1 8 . 1 1 21 21 ARG C C 21 179.107 179.107 178.041 1.066 18806
887 1 8 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.860 -1.053 18806
888 1 8 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.053 0.048 18806
889 1 8 . 1 1 22 22 HIS N N 22 117.794 117.794 118.871 -1.077 18806
890 1 8 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.277 -0.110 18806
891 1 8 . 1 1 22 22 HIS C C 22 178.014 178.014 178.145 -0.131 18806
892 1 8 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.602 -0.690 18806
893 1 8 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.512 -1.591 18806
894 1 8 . 1 1 23 23 LEU N N 23 122.319 122.319 119.878 2.441 18806
895 1 8 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.375 -0.591 18806
896 1 8 . 1 1 23 23 LEU C C 23 179.021 179.021 179.450 -0.429 18806
897 1 8 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.509 1.083 18806
898 1 8 . 1 1 23 23 LEU CB C 23 41.658 41.658 40.899 0.759 18806
899 1 8 . 1 1 24 24 GLU N N 24 116.297 116.297 118.931 -2.634 18806
900 1 8 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.168 -0.176 18806
901 1 8 . 1 1 24 24 GLU C C 24 178.251 178.251 177.287 0.964 18806
902 1 8 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.539 -0.210 18806
903 1 8 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.450 -0.033 18806
904 1 8 . 1 1 25 25 THR N N 25 108.890 108.890 112.205 -3.315 18806
905 1 8 . 1 1 25 25 THR HA H 25 4.010 4.010 4.307 -0.297 18806
906 1 8 . 1 1 25 25 THR C C 25 175.170 175.170 174.468 0.702 18806
907 1 8 . 1 1 25 25 THR CA C 25 63.499 63.499 62.891 0.608 18806
908 1 8 . 1 1 25 25 THR CB C 25 69.177 69.177 68.891 0.286 18806
909 1 8 . 1 1 26 26 HIS N N 26 118.044 118.044 119.141 -1.097 18806
910 1 8 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.343 0.124 18806
911 1 8 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.138 -3.877 18806
912 1 8 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.614 -1.972 18806
913 1 9 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.602 -0.455 18806
914 1 9 . 1 1 3 3 PRO C C 3 176.083 176.083 175.571 0.512 18806
915 1 9 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.375 1.040 18806
916 1 9 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.344 -0.467 18806
917 1 9 . 1 1 4 4 TYR N N 4 117.838 117.838 124.126 -6.288 18806
918 1 9 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.651 -0.191 18806
919 1 9 . 1 1 4 4 TYR C C 4 174.569 174.569 175.257 -0.688 18806
920 1 9 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.051 -0.281 18806
921 1 9 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.254 -0.824 18806
922 1 9 . 1 1 5 5 GLN N N 5 123.036 123.036 123.854 -0.818 18806
923 1 9 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.091 -0.214 18806
924 1 9 . 1 1 5 5 GLN C C 5 175.122 175.122 175.290 -0.168 18806
925 1 9 . 1 1 5 5 GLN CA C 5 54.558 54.558 53.970 0.588 18806
926 1 9 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.616 1.976 18806
927 1 9 . 1 1 6 6 CYS N N 6 125.821 125.821 122.944 2.877 18806
928 1 9 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.652 -0.375 18806
929 1 9 . 1 1 6 6 CYS C C 6 176.578 176.578 175.837 0.741 18806
930 1 9 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.837 0.409 18806
931 1 9 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.066 1.212 18806
932 1 9 . 1 1 7 7 ASP N N 7 129.841 129.841 129.001 0.840 18806
933 1 9 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.287 -0.071 18806
934 1 9 . 1 1 7 7 ASP C C 7 175.676 175.676 175.910 -0.234 18806
935 1 9 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.888 -0.538 18806
936 1 9 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.372 0.371 18806
937 1 9 . 1 1 8 8 TYR N N 8 119.023 119.023 115.368 3.655 18806
938 1 9 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.702 -0.462 18806
939 1 9 . 1 1 8 8 TYR C C 8 176.440 176.440 176.200 0.240 18806
940 1 9 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.099 1.448 18806
941 1 9 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.637 -0.577 18806
942 1 9 . 1 1 9 9 CYS N N 9 115.815 115.815 117.200 -1.385 18806
943 1 9 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.892 0.146 18806
944 1 9 . 1 1 9 9 CYS C C 9 175.815 175.815 176.275 -0.460 18806
945 1 9 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.120 -0.810 18806
946 1 9 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.682 2.591 18806
947 1 9 . 1 1 10 10 GLY N N 10 111.402 111.402 108.566 2.836 18806
948 1 9 . 1 1 10 10 GLY C C 10 173.932 173.932 174.230 -0.298 18806
949 1 9 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.489 0.550 18806
950 1 9 . 1 1 11 11 ARG N N 11 122.427 122.427 121.125 1.302 18806
951 1 9 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.178 -0.250 18806
952 1 9 . 1 1 11 11 ARG C C 11 174.220 174.220 175.268 -1.048 18806
953 1 9 . 1 1 11 11 ARG CA C 11 57.602 57.602 56.022 1.580 18806
954 1 9 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.753 0.495 18806
955 1 9 . 1 1 12 12 SER N N 12 115.605 115.605 122.786 -7.181 18806
956 1 9 . 1 1 12 12 SER HA H 12 4.896 4.896 4.566 0.330 18806
957 1 9 . 1 1 12 12 SER C C 12 172.775 172.775 173.530 -0.755 18806
958 1 9 . 1 1 12 12 SER CA C 12 57.311 57.311 58.696 -1.385 18806
959 1 9 . 1 1 12 12 SER CB C 12 65.516 65.516 63.101 2.415 18806
960 1 9 . 1 1 13 13 PHE N N 13 118.534 118.534 126.224 -7.690 18806
961 1 9 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.634 -0.043 18806
962 1 9 . 1 1 13 13 PHE C C 13 175.330 175.330 176.503 -1.173 18806
963 1 9 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.577 -0.208 18806
964 1 9 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.495 3.948 18806
965 1 9 . 1 1 14 14 SER N N 14 114.545 114.545 116.926 -2.381 18806
966 1 9 . 1 1 14 14 SER HA H 14 4.491 4.491 4.489 0.002 18806
967 1 9 . 1 1 14 14 SER C C 14 173.113 173.113 174.048 -0.935 18806
968 1 9 . 1 1 14 14 SER CA C 14 59.545 59.545 58.533 1.012 18806
969 1 9 . 1 1 14 14 SER CB C 14 64.037 64.037 63.507 0.530 18806
970 1 9 . 1 1 15 15 ASP N N 15 117.860 117.860 121.121 -3.261 18806
971 1 9 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.025 -0.321 18806
972 1 9 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.013 -0.316 18806
973 1 9 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.747 -1.403 18806
974 1 9 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.633 -0.077 18806
975 1 9 . 1 1 16 16 PRO C C 16 178.801 178.801 177.732 1.069 18806
976 1 9 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.015 -0.638 18806
977 1 9 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.659 -0.091 18806
978 1 9 . 1 1 17 17 THR N N 17 117.621 117.621 112.995 4.626 18806
979 1 9 . 1 1 17 17 THR HA H 17 3.759 3.759 4.123 -0.364 18806
980 1 9 . 1 1 17 17 THR C C 17 176.424 176.424 176.794 -0.370 18806
981 1 9 . 1 1 17 17 THR CA C 17 66.554 66.554 65.549 1.005 18806
982 1 9 . 1 1 17 17 THR CB C 17 67.664 67.664 68.364 -0.700 18806
983 1 9 . 1 1 18 18 SER N N 18 119.883 119.883 117.948 1.935 18806
984 1 9 . 1 1 18 18 SER HA H 18 3.871 3.871 4.154 -0.283 18806
985 1 9 . 1 1 18 18 SER C C 18 177.038 177.038 175.861 1.177 18806
986 1 9 . 1 1 18 18 SER CA C 18 61.906 61.906 61.752 0.154 18806
987 1 9 . 1 1 18 18 SER CB C 18 61.877 61.877 62.606 -0.729 18806
988 1 9 . 1 1 19 19 LYS N N 19 121.563 121.563 121.452 0.111 18806
989 1 9 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.558 -0.945 18806
990 1 9 . 1 1 19 19 LYS C C 19 176.639 176.639 178.181 -1.542 18806
991 1 9 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.474 1.013 18806
992 1 9 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.047 -0.461 18806
993 1 9 . 1 1 20 20 MET N N 20 118.908 118.908 120.096 -1.188 18806
994 1 9 . 1 1 20 20 MET HA H 20 3.927 3.927 4.304 -0.377 18806
995 1 9 . 1 1 20 20 MET C C 20 178.910 178.910 177.586 1.324 18806
996 1 9 . 1 1 20 20 MET CA C 20 58.719 58.719 57.134 1.585 18806
997 1 9 . 1 1 20 20 MET CB C 20 31.756 31.756 32.197 -0.441 18806
998 1 9 . 1 1 21 21 ARG N N 21 118.164 118.164 119.874 -1.710 18806
999 1 9 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.874 0.031 18806
1000 1 9 . 1 1 21 21 ARG C C 21 179.107 179.107 178.470 0.637 18806
1001 1 9 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.932 -1.125 18806
1002 1 9 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.135 -0.034 18806
1003 1 9 . 1 1 22 22 HIS N N 22 117.794 117.794 118.688 -0.894 18806
1004 1 9 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.247 -0.080 18806
1005 1 9 . 1 1 22 22 HIS C C 22 178.014 178.014 177.265 0.749 18806
1006 1 9 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.578 -0.666 18806
1007 1 9 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.416 -1.495 18806
1008 1 9 . 1 1 23 23 LEU N N 23 122.319 122.319 119.681 2.638 18806
1009 1 9 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.168 -0.384 18806
1010 1 9 . 1 1 23 23 LEU C C 23 179.021 179.021 179.521 -0.500 18806
1011 1 9 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.016 0.576 18806
1012 1 9 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.697 -0.039 18806
1013 1 9 . 1 1 24 24 GLU N N 24 116.297 116.297 118.412 -2.115 18806
1014 1 9 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.056 -0.064 18806
1015 1 9 . 1 1 24 24 GLU C C 24 178.251 178.251 179.102 -0.851 18806
1016 1 9 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.200 -0.871 18806
1017 1 9 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.111 0.306 18806
1018 1 9 . 1 1 25 25 THR N N 25 108.890 108.890 114.295 -5.405 18806
1019 1 9 . 1 1 25 25 THR HA H 25 4.010 4.010 4.094 -0.084 18806
1020 1 9 . 1 1 25 25 THR C C 25 175.170 175.170 174.796 0.374 18806
1021 1 9 . 1 1 25 25 THR CA C 25 63.499 63.499 64.492 -0.993 18806
1022 1 9 . 1 1 25 25 THR CB C 25 69.177 69.177 68.702 0.475 18806
1023 1 9 . 1 1 26 26 HIS N N 26 118.044 118.044 117.697 0.347 18806
1024 1 9 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.421 0.046 18806
1025 1 9 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.544 -2.283 18806
1026 1 9 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.123 -1.481 18806
1027 1 10 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.363 -0.216 18806
1028 1 10 . 1 1 3 3 PRO C C 3 176.083 176.083 175.430 0.653 18806
1029 1 10 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.068 1.347 18806
1030 1 10 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.424 -0.547 18806
1031 1 10 . 1 1 4 4 TYR N N 4 117.838 117.838 120.390 -2.552 18806
1032 1 10 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.712 -0.252 18806
1033 1 10 . 1 1 4 4 TYR C C 4 174.569 174.569 175.900 -1.331 18806
1034 1 10 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.321 -0.551 18806
1035 1 10 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.752 -1.322 18806
1036 1 10 . 1 1 5 5 GLN N N 5 123.036 123.036 122.140 0.896 18806
1037 1 10 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.948 -0.071 18806
1038 1 10 . 1 1 5 5 GLN C C 5 175.122 175.122 175.532 -0.410 18806
1039 1 10 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.230 -0.672 18806
1040 1 10 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.247 1.345 18806
1041 1 10 . 1 1 6 6 CYS N N 6 125.821 125.821 123.097 2.724 18806
1042 1 10 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.645 -0.368 18806
1043 1 10 . 1 1 6 6 CYS C C 6 176.578 176.578 175.722 0.856 18806
1044 1 10 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.912 0.333 18806
1045 1 10 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.506 1.772 18806
1046 1 10 . 1 1 7 7 ASP N N 7 129.841 129.841 128.378 1.463 18806
1047 1 10 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.387 -0.171 18806
1048 1 10 . 1 1 7 7 ASP C C 7 175.676 175.676 175.848 -0.172 18806
1049 1 10 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.070 0.280 18806
1050 1 10 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.503 0.240 18806
1051 1 10 . 1 1 8 8 TYR N N 8 119.023 119.023 115.536 3.487 18806
1052 1 10 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.638 -0.398 18806
1053 1 10 . 1 1 8 8 TYR C C 8 176.440 176.440 176.288 0.152 18806
1054 1 10 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.361 1.185 18806
1055 1 10 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.793 -0.733 18806
1056 1 10 . 1 1 9 9 CYS N N 9 115.815 115.815 117.148 -1.333 18806
1057 1 10 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.841 0.197 18806
1058 1 10 . 1 1 9 9 CYS C C 9 175.815 175.815 176.103 -0.288 18806
1059 1 10 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.085 -1.775 18806
1060 1 10 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.988 1.285 18806
1061 1 10 . 1 1 10 10 GLY N N 10 111.402 111.402 109.107 2.295 18806
1062 1 10 . 1 1 10 10 GLY C C 10 173.932 173.932 173.337 0.595 18806
1063 1 10 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.342 0.697 18806
1064 1 10 . 1 1 11 11 ARG N N 11 122.427 122.427 120.803 1.624 18806
1065 1 10 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.204 -0.276 18806
1066 1 10 . 1 1 11 11 ARG C C 11 174.220 174.220 174.592 -0.372 18806
1067 1 10 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.753 1.849 18806
1068 1 10 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.979 0.269 18806
1069 1 10 . 1 1 12 12 SER N N 12 115.605 115.605 120.629 -5.024 18806
1070 1 10 . 1 1 12 12 SER HA H 12 4.896 4.896 4.492 0.404 18806
1071 1 10 . 1 1 12 12 SER C C 12 172.775 172.775 173.646 -0.871 18806
1072 1 10 . 1 1 12 12 SER CA C 12 57.311 57.311 57.829 -0.518 18806
1073 1 10 . 1 1 12 12 SER CB C 12 65.516 65.516 63.083 2.433 18806
1074 1 10 . 1 1 13 13 PHE N N 13 118.534 118.534 126.011 -7.477 18806
1075 1 10 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.601 -0.010 18806
1076 1 10 . 1 1 13 13 PHE C C 13 175.330 175.330 176.451 -1.121 18806
1077 1 10 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.523 -0.154 18806
1078 1 10 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.064 3.379 18806
1079 1 10 . 1 1 14 14 SER N N 14 114.545 114.545 117.821 -3.276 18806
1080 1 10 . 1 1 14 14 SER HA H 14 4.491 4.491 4.444 0.047 18806
1081 1 10 . 1 1 14 14 SER C C 14 173.113 173.113 173.439 -0.326 18806
1082 1 10 . 1 1 14 14 SER CA C 14 59.545 59.545 58.868 0.677 18806
1083 1 10 . 1 1 14 14 SER CB C 14 64.037 64.037 62.969 1.068 18806
1084 1 10 . 1 1 15 15 ASP N N 15 117.860 117.860 122.414 -4.554 18806
1085 1 10 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.132 -0.428 18806
1086 1 10 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.855 -0.159 18806
1087 1 10 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.998 -0.654 18806
1088 1 10 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.283 -0.727 18806
1089 1 10 . 1 1 16 16 PRO C C 16 178.801 178.801 177.745 1.056 18806
1090 1 10 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.204 -0.827 18806
1091 1 10 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.927 -0.359 18806
1092 1 10 . 1 1 17 17 THR N N 17 117.621 117.621 109.537 8.084 18806
1093 1 10 . 1 1 17 17 THR HA H 17 3.759 3.759 4.178 -0.419 18806
1094 1 10 . 1 1 17 17 THR C C 17 176.424 176.424 176.551 -0.127 18806
1095 1 10 . 1 1 17 17 THR CA C 17 66.554 66.554 65.350 1.204 18806
1096 1 10 . 1 1 17 17 THR CB C 17 67.664 67.664 68.268 -0.604 18806
1097 1 10 . 1 1 18 18 SER N N 18 119.883 119.883 117.206 2.677 18806
1098 1 10 . 1 1 18 18 SER HA H 18 3.871 3.871 4.247 -0.376 18806
1099 1 10 . 1 1 18 18 SER C C 18 177.038 177.038 176.387 0.651 18806
1100 1 10 . 1 1 18 18 SER CA C 18 61.906 61.906 60.752 1.154 18806
1101 1 10 . 1 1 18 18 SER CB C 18 61.877 61.877 62.803 -0.926 18806
1102 1 10 . 1 1 19 19 LYS N N 19 121.563 121.563 122.161 -0.598 18806
1103 1 10 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.536 -0.923 18806
1104 1 10 . 1 1 19 19 LYS C C 19 176.639 176.639 178.202 -1.563 18806
1105 1 10 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.017 0.470 18806
1106 1 10 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.250 -0.664 18806
1107 1 10 . 1 1 20 20 MET N N 20 118.908 118.908 119.654 -0.746 18806
1108 1 10 . 1 1 20 20 MET HA H 20 3.927 3.927 4.276 -0.349 18806
1109 1 10 . 1 1 20 20 MET C C 20 178.910 178.910 178.110 0.800 18806
1110 1 10 . 1 1 20 20 MET CA C 20 58.719 58.719 57.313 1.406 18806
1111 1 10 . 1 1 20 20 MET CB C 20 31.756 31.756 32.246 -0.490 18806
1112 1 10 . 1 1 21 21 ARG N N 21 118.164 118.164 118.277 -0.113 18806
1113 1 10 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.998 -0.093 18806
1114 1 10 . 1 1 21 21 ARG C C 21 179.107 179.107 178.643 0.464 18806
1115 1 10 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.257 -0.450 18806
1116 1 10 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.922 0.179 18806
1117 1 10 . 1 1 22 22 HIS N N 22 117.794 117.794 120.804 -3.010 18806
1118 1 10 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.309 -0.142 18806
1119 1 10 . 1 1 22 22 HIS C C 22 178.014 178.014 177.285 0.729 18806
1120 1 10 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.553 -0.641 18806
1121 1 10 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.660 -1.739 18806
1122 1 10 . 1 1 23 23 LEU N N 23 122.319 122.319 119.223 3.096 18806
1123 1 10 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.345 -0.561 18806
1124 1 10 . 1 1 23 23 LEU C C 23 179.021 179.021 178.393 0.628 18806
1125 1 10 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.731 0.861 18806
1126 1 10 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.867 -0.209 18806
1127 1 10 . 1 1 24 24 GLU N N 24 116.297 116.297 116.201 0.096 18806
1128 1 10 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.079 -0.087 18806
1129 1 10 . 1 1 24 24 GLU C C 24 178.251 178.251 178.449 -0.198 18806
1130 1 10 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.847 -0.518 18806
1131 1 10 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.437 -0.020 18806
1132 1 10 . 1 1 25 25 THR N N 25 108.890 108.890 114.045 -5.155 18806
1133 1 10 . 1 1 25 25 THR HA H 25 4.010 4.010 4.006 0.004 18806
1134 1 10 . 1 1 25 25 THR C C 25 175.170 175.170 175.702 -0.532 18806
1135 1 10 . 1 1 25 25 THR CA C 25 63.499 63.499 65.107 -1.608 18806
1136 1 10 . 1 1 25 25 THR CB C 25 69.177 69.177 68.490 0.687 18806
1137 1 10 . 1 1 26 26 HIS N N 26 118.044 118.044 117.649 0.395 18806
1138 1 10 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.459 0.008 18806
1139 1 10 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.352 -2.091 18806
1140 1 10 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.594 -0.952 18806
1141 1 11 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.331 -0.184 18806
1142 1 11 . 1 1 3 3 PRO C C 3 176.083 176.083 175.686 0.397 18806
1143 1 11 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.476 0.939 18806
1144 1 11 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.115 -0.238 18806
1145 1 11 . 1 1 4 4 TYR N N 4 117.838 117.838 124.456 -6.618 18806
1146 1 11 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.726 -0.266 18806
1147 1 11 . 1 1 4 4 TYR C C 4 174.569 174.569 175.463 -0.894 18806
1148 1 11 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.024 -0.254 18806
1149 1 11 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.035 0.395 18806
1150 1 11 . 1 1 5 5 GLN N N 5 123.036 123.036 122.636 0.400 18806
1151 1 11 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.172 -0.295 18806
1152 1 11 . 1 1 5 5 GLN C C 5 175.122 175.122 174.994 0.128 18806
1153 1 11 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.748 -0.190 18806
1154 1 11 . 1 1 5 5 GLN CB C 5 31.592 31.592 31.333 0.259 18806
1155 1 11 . 1 1 6 6 CYS N N 6 125.821 125.821 121.680 4.141 18806
1156 1 11 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.664 -0.387 18806
1157 1 11 . 1 1 6 6 CYS C C 6 176.578 176.578 175.227 1.351 18806
1158 1 11 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.383 0.862 18806
1159 1 11 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.632 1.646 18806
1160 1 11 . 1 1 7 7 ASP N N 7 129.841 129.841 130.391 -0.550 18806
1161 1 11 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.549 -0.333 18806
1162 1 11 . 1 1 7 7 ASP C C 7 175.676 175.676 176.217 -0.541 18806
1163 1 11 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.527 -0.177 18806
1164 1 11 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.504 0.239 18806
1165 1 11 . 1 1 8 8 TYR N N 8 119.023 119.023 117.137 1.886 18806
1166 1 11 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.607 -0.367 18806
1167 1 11 . 1 1 8 8 TYR C C 8 176.440 176.440 176.356 0.084 18806
1168 1 11 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.819 1.727 18806
1169 1 11 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.185 -0.125 18806
1170 1 11 . 1 1 9 9 CYS N N 9 115.815 115.815 116.654 -0.839 18806
1171 1 11 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.826 0.212 18806
1172 1 11 . 1 1 9 9 CYS C C 9 175.815 175.815 176.095 -0.280 18806
1173 1 11 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.084 -1.774 18806
1174 1 11 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.282 0.991 18806
1175 1 11 . 1 1 10 10 GLY N N 10 111.402 111.402 109.091 2.311 18806
1176 1 11 . 1 1 10 10 GLY C C 10 173.932 173.932 173.368 0.564 18806
1177 1 11 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.315 0.724 18806
1178 1 11 . 1 1 11 11 ARG N N 11 122.427 122.427 120.235 2.192 18806
1179 1 11 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.132 -0.204 18806
1180 1 11 . 1 1 11 11 ARG C C 11 174.220 174.220 174.345 -0.125 18806
1181 1 11 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.936 1.666 18806
1182 1 11 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.934 0.314 18806
1183 1 11 . 1 1 12 12 SER N N 12 115.605 115.605 120.774 -5.169 18806
1184 1 11 . 1 1 12 12 SER HA H 12 4.896 4.896 4.559 0.337 18806
1185 1 11 . 1 1 12 12 SER C C 12 172.775 172.775 173.665 -0.890 18806
1186 1 11 . 1 1 12 12 SER CA C 12 57.311 57.311 58.007 -0.696 18806
1187 1 11 . 1 1 12 12 SER CB C 12 65.516 65.516 63.325 2.191 18806
1188 1 11 . 1 1 13 13 PHE N N 13 118.534 118.534 124.695 -6.161 18806
1189 1 11 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.682 -0.091 18806
1190 1 11 . 1 1 13 13 PHE C C 13 175.330 175.330 176.645 -1.315 18806
1191 1 11 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.412 -0.043 18806
1192 1 11 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.963 2.480 18806
1193 1 11 . 1 1 14 14 SER N N 14 114.545 114.545 116.462 -1.917 18806
1194 1 11 . 1 1 14 14 SER HA H 14 4.491 4.491 4.544 -0.053 18806
1195 1 11 . 1 1 14 14 SER C C 14 173.113 173.113 173.916 -0.803 18806
1196 1 11 . 1 1 14 14 SER CA C 14 59.545 59.545 58.937 0.608 18806
1197 1 11 . 1 1 14 14 SER CB C 14 64.037 64.037 63.527 0.510 18806
1198 1 11 . 1 1 15 15 ASP N N 15 117.860 117.860 122.337 -4.477 18806
1199 1 11 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.101 -0.397 18806
1200 1 11 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.692 0.005 18806
1201 1 11 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.039 -0.695 18806
1202 1 11 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.812 -0.256 18806
1203 1 11 . 1 1 16 16 PRO C C 16 178.801 178.801 177.305 1.496 18806
1204 1 11 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.861 -0.484 18806
1205 1 11 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.502 0.066 18806
1206 1 11 . 1 1 17 17 THR N N 17 117.621 117.621 112.301 5.320 18806
1207 1 11 . 1 1 17 17 THR HA H 17 3.759 3.759 4.183 -0.424 18806
1208 1 11 . 1 1 17 17 THR C C 17 176.424 176.424 176.636 -0.212 18806
1209 1 11 . 1 1 17 17 THR CA C 17 66.554 66.554 64.939 1.615 18806
1210 1 11 . 1 1 17 17 THR CB C 17 67.664 67.664 68.650 -0.986 18806
1211 1 11 . 1 1 18 18 SER N N 18 119.883 119.883 118.026 1.857 18806
1212 1 11 . 1 1 18 18 SER HA H 18 3.871 3.871 4.177 -0.306 18806
1213 1 11 . 1 1 18 18 SER C C 18 177.038 177.038 176.023 1.015 18806
1214 1 11 . 1 1 18 18 SER CA C 18 61.906 61.906 61.471 0.435 18806
1215 1 11 . 1 1 18 18 SER CB C 18 61.877 61.877 62.638 -0.761 18806
1216 1 11 . 1 1 19 19 LYS N N 19 121.563 121.563 121.491 0.072 18806
1217 1 11 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.351 -0.738 18806
1218 1 11 . 1 1 19 19 LYS C C 19 176.639 176.639 178.553 -1.914 18806
1219 1 11 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.308 0.179 18806
1220 1 11 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806
1221 1 11 . 1 1 20 20 MET N N 20 118.908 118.908 117.886 1.022 18806
1222 1 11 . 1 1 20 20 MET HA H 20 3.927 3.927 4.214 -0.287 18806
1223 1 11 . 1 1 20 20 MET C C 20 178.910 178.910 178.260 0.650 18806
1224 1 11 . 1 1 20 20 MET CA C 20 58.719 58.719 58.712 0.007 18806
1225 1 11 . 1 1 20 20 MET CB C 20 31.756 31.756 32.559 -0.803 18806
1226 1 11 . 1 1 21 21 ARG N N 21 118.164 118.164 120.245 -2.081 18806
1227 1 11 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.273 -0.368 18806
1228 1 11 . 1 1 21 21 ARG C C 21 179.107 179.107 178.498 0.609 18806
1229 1 11 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.334 -0.527 18806
1230 1 11 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.062 0.039 18806
1231 1 11 . 1 1 22 22 HIS N N 22 117.794 117.794 119.829 -2.035 18806
1232 1 11 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.211 -0.044 18806
1233 1 11 . 1 1 22 22 HIS C C 22 178.014 178.014 177.351 0.663 18806
1234 1 11 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.447 -0.534 18806
1235 1 11 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.475 -1.554 18806
1236 1 11 . 1 1 23 23 LEU N N 23 122.319 122.319 118.934 3.385 18806
1237 1 11 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.052 -0.268 18806
1238 1 11 . 1 1 23 23 LEU C C 23 179.021 179.021 179.126 -0.105 18806
1239 1 11 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.907 0.685 18806
1240 1 11 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.088 0.570 18806
1241 1 11 . 1 1 24 24 GLU N N 24 116.297 116.297 118.147 -1.850 18806
1242 1 11 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.045 -0.053 18806
1243 1 11 . 1 1 24 24 GLU C C 24 178.251 178.251 179.164 -0.913 18806
1244 1 11 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.320 -0.991 18806
1245 1 11 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.509 -0.092 18806
1246 1 11 . 1 1 25 25 THR N N 25 108.890 108.890 112.677 -3.787 18806
1247 1 11 . 1 1 25 25 THR HA H 25 4.010 4.010 4.176 -0.166 18806
1248 1 11 . 1 1 25 25 THR C C 25 175.170 175.170 174.915 0.255 18806
1249 1 11 . 1 1 25 25 THR CA C 25 63.499 63.499 63.914 -0.415 18806
1250 1 11 . 1 1 25 25 THR CB C 25 69.177 69.177 68.461 0.716 18806
1251 1 11 . 1 1 26 26 HIS N N 26 118.044 118.044 117.891 0.153 18806
1252 1 11 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.388 0.079 18806
1253 1 11 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.965 -3.704 18806
1254 1 11 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.542 -1.900 18806
1255 1 12 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.466 -0.319 18806
1256 1 12 . 1 1 3 3 PRO C C 3 176.083 176.083 175.507 0.576 18806
1257 1 12 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.270 1.145 18806
1258 1 12 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.611 -0.734 18806
1259 1 12 . 1 1 4 4 TYR N N 4 117.838 117.838 120.608 -2.770 18806
1260 1 12 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.599 -0.139 18806
1261 1 12 . 1 1 4 4 TYR C C 4 174.569 174.569 175.537 -0.968 18806
1262 1 12 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.317 -0.547 18806
1263 1 12 . 1 1 4 4 TYR CB C 4 38.430 38.430 36.938 1.492 18806
1264 1 12 . 1 1 5 5 GLN N N 5 123.036 123.036 121.595 1.441 18806
1265 1 12 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.654 0.223 18806
1266 1 12 . 1 1 5 5 GLN C C 5 175.122 175.122 175.722 -0.600 18806
1267 1 12 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.075 -0.517 18806
1268 1 12 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.025 2.567 18806
1269 1 12 . 1 1 6 6 CYS N N 6 125.821 125.821 124.022 1.799 18806
1270 1 12 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.726 -0.449 18806
1271 1 12 . 1 1 6 6 CYS C C 6 176.578 176.578 175.711 0.867 18806
1272 1 12 . 1 1 6 6 CYS CA C 6 60.245 60.245 60.233 0.013 18806
1273 1 12 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.305 1.973 18806
1274 1 12 . 1 1 7 7 ASP N N 7 129.841 129.841 128.763 1.078 18806
1275 1 12 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.365 -0.149 18806
1276 1 12 . 1 1 7 7 ASP C C 7 175.676 175.676 175.961 -0.285 18806
1277 1 12 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.726 -0.376 18806
1278 1 12 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.748 -0.005 18806
1279 1 12 . 1 1 8 8 TYR N N 8 119.023 119.023 115.492 3.531 18806
1280 1 12 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.616 -0.376 18806
1281 1 12 . 1 1 8 8 TYR C C 8 176.440 176.440 176.337 0.103 18806
1282 1 12 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.200 0.346 18806
1283 1 12 . 1 1 8 8 TYR CB C 8 38.060 38.060 39.172 -1.112 18806
1284 1 12 . 1 1 9 9 CYS N N 9 115.815 115.815 115.626 0.189 18806
1285 1 12 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.757 0.281 18806
1286 1 12 . 1 1 9 9 CYS C C 9 175.815 175.815 175.927 -0.112 18806
1287 1 12 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.921 -1.611 18806
1288 1 12 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.177 2.096 18806
1289 1 12 . 1 1 10 10 GLY N N 10 111.402 111.402 108.602 2.800 18806
1290 1 12 . 1 1 10 10 GLY C C 10 173.932 173.932 173.320 0.612 18806
1291 1 12 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.386 0.653 18806
1292 1 12 . 1 1 11 11 ARG N N 11 122.427 122.427 121.057 1.370 18806
1293 1 12 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.130 -0.202 18806
1294 1 12 . 1 1 11 11 ARG C C 11 174.220 174.220 174.929 -0.709 18806
1295 1 12 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.886 2.716 18806
1296 1 12 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.494 0.754 18806
1297 1 12 . 1 1 12 12 SER N N 12 115.605 115.605 122.300 -6.695 18806
1298 1 12 . 1 1 12 12 SER HA H 12 4.896 4.896 4.454 0.442 18806
1299 1 12 . 1 1 12 12 SER C C 12 172.775 172.775 173.910 -1.135 18806
1300 1 12 . 1 1 12 12 SER CA C 12 57.311 57.311 57.327 -0.016 18806
1301 1 12 . 1 1 12 12 SER CB C 12 65.516 65.516 62.856 2.660 18806
1302 1 12 . 1 1 13 13 PHE N N 13 118.534 118.534 125.309 -6.775 18806
1303 1 12 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.616 -0.025 18806
1304 1 12 . 1 1 13 13 PHE C C 13 175.330 175.330 176.136 -0.806 18806
1305 1 12 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.627 -0.258 18806
1306 1 12 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.025 3.418 18806
1307 1 12 . 1 1 14 14 SER N N 14 114.545 114.545 117.738 -3.193 18806
1308 1 12 . 1 1 14 14 SER HA H 14 4.491 4.491 4.582 -0.091 18806
1309 1 12 . 1 1 14 14 SER C C 14 173.113 173.113 173.569 -0.456 18806
1310 1 12 . 1 1 14 14 SER CA C 14 59.545 59.545 59.775 -0.230 18806
1311 1 12 . 1 1 14 14 SER CB C 14 64.037 64.037 63.721 0.316 18806
1312 1 12 . 1 1 15 15 ASP N N 15 117.860 117.860 121.877 -4.017 18806
1313 1 12 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.069 -0.365 18806
1314 1 12 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.922 -0.225 18806
1315 1 12 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.207 -0.863 18806
1316 1 12 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.703 -0.147 18806
1317 1 12 . 1 1 16 16 PRO C C 16 178.801 178.801 177.482 1.319 18806
1318 1 12 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.146 -0.769 18806
1319 1 12 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.480 0.088 18806
1320 1 12 . 1 1 17 17 THR N N 17 117.621 117.621 112.715 4.906 18806
1321 1 12 . 1 1 17 17 THR HA H 17 3.759 3.759 4.059 -0.300 18806
1322 1 12 . 1 1 17 17 THR C C 17 176.424 176.424 176.507 -0.083 18806
1323 1 12 . 1 1 17 17 THR CA C 17 66.554 66.554 66.742 -0.188 18806
1324 1 12 . 1 1 17 17 THR CB C 17 67.664 67.664 68.115 -0.451 18806
1325 1 12 . 1 1 18 18 SER N N 18 119.883 119.883 116.438 3.445 18806
1326 1 12 . 1 1 18 18 SER HA H 18 3.871 3.871 4.298 -0.427 18806
1327 1 12 . 1 1 18 18 SER C C 18 177.038 177.038 176.022 1.016 18806
1328 1 12 . 1 1 18 18 SER CA C 18 61.906 61.906 61.226 0.680 18806
1329 1 12 . 1 1 18 18 SER CB C 18 61.877 61.877 62.779 -0.902 18806
1330 1 12 . 1 1 19 19 LYS N N 19 121.563 121.563 121.178 0.385 18806
1331 1 12 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.484 -0.871 18806
1332 1 12 . 1 1 19 19 LYS C C 19 176.639 176.639 177.960 -1.321 18806
1333 1 12 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.826 0.661 18806
1334 1 12 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.321 -0.735 18806
1335 1 12 . 1 1 20 20 MET N N 20 118.908 118.908 118.731 0.177 18806
1336 1 12 . 1 1 20 20 MET HA H 20 3.927 3.927 4.401 -0.474 18806
1337 1 12 . 1 1 20 20 MET C C 20 178.910 178.910 178.152 0.758 18806
1338 1 12 . 1 1 20 20 MET CA C 20 58.719 58.719 56.628 2.091 18806
1339 1 12 . 1 1 20 20 MET CB C 20 31.756 31.756 32.539 -0.783 18806
1340 1 12 . 1 1 21 21 ARG N N 21 118.164 118.164 119.634 -1.470 18806
1341 1 12 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.977 -0.072 18806
1342 1 12 . 1 1 21 21 ARG C C 21 179.107 179.107 178.435 0.672 18806
1343 1 12 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.873 -1.066 18806
1344 1 12 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.941 0.160 18806
1345 1 12 . 1 1 22 22 HIS N N 22 117.794 117.794 119.772 -1.978 18806
1346 1 12 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.219 -0.052 18806
1347 1 12 . 1 1 22 22 HIS C C 22 178.014 178.014 176.537 1.477 18806
1348 1 12 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.473 -0.561 18806
1349 1 12 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.598 -1.677 18806
1350 1 12 . 1 1 23 23 LEU N N 23 122.319 122.319 118.459 3.860 18806
1351 1 12 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.335 -0.551 18806
1352 1 12 . 1 1 23 23 LEU C C 23 179.021 179.021 179.323 -0.302 18806
1353 1 12 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.884 0.708 18806
1354 1 12 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.250 -0.592 18806
1355 1 12 . 1 1 24 24 GLU N N 24 116.297 116.297 120.037 -3.740 18806
1356 1 12 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.117 -0.125 18806
1357 1 12 . 1 1 24 24 GLU C C 24 178.251 178.251 178.692 -0.441 18806
1358 1 12 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.027 -0.698 18806
1359 1 12 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.370 0.047 18806
1360 1 12 . 1 1 25 25 THR N N 25 108.890 108.890 114.297 -5.407 18806
1361 1 12 . 1 1 25 25 THR HA H 25 4.010 4.010 4.154 -0.144 18806
1362 1 12 . 1 1 25 25 THR C C 25 175.170 175.170 174.773 0.397 18806
1363 1 12 . 1 1 25 25 THR CA C 25 63.499 63.499 63.645 -0.146 18806
1364 1 12 . 1 1 25 25 THR CB C 25 69.177 69.177 68.479 0.698 18806
1365 1 12 . 1 1 26 26 HIS N N 26 118.044 118.044 119.493 -1.449 18806
1366 1 12 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.272 0.195 18806
1367 1 12 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.796 -3.535 18806
1368 1 12 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.547 -0.905 18806
1369 1 13 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.483 -0.336 18806
1370 1 13 . 1 1 3 3 PRO C C 3 176.083 176.083 175.424 0.659 18806
1371 1 13 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.269 1.146 18806
1372 1 13 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.764 0.113 18806
1373 1 13 . 1 1 4 4 TYR N N 4 117.838 117.838 124.422 -6.584 18806
1374 1 13 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.618 -0.158 18806
1375 1 13 . 1 1 4 4 TYR C C 4 174.569 174.569 175.283 -0.714 18806
1376 1 13 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.573 0.197 18806
1377 1 13 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.526 -0.096 18806
1378 1 13 . 1 1 5 5 GLN N N 5 123.036 123.036 123.725 -0.689 18806
1379 1 13 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.464 0.413 18806
1380 1 13 . 1 1 5 5 GLN C C 5 175.122 175.122 175.095 0.027 18806
1381 1 13 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.099 0.459 18806
1382 1 13 . 1 1 5 5 GLN CB C 5 31.592 31.592 28.974 2.618 18806
1383 1 13 . 1 1 6 6 CYS N N 6 125.821 125.821 124.267 1.554 18806
1384 1 13 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.639 -0.362 18806
1385 1 13 . 1 1 6 6 CYS C C 6 176.578 176.578 175.293 1.285 18806
1386 1 13 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.022 1.223 18806
1387 1 13 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.634 1.644 18806
1388 1 13 . 1 1 7 7 ASP N N 7 129.841 129.841 130.151 -0.310 18806
1389 1 13 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.393 -0.177 18806
1390 1 13 . 1 1 7 7 ASP C C 7 175.676 175.676 176.037 -0.361 18806
1391 1 13 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.435 -0.085 18806
1392 1 13 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.363 0.380 18806
1393 1 13 . 1 1 8 8 TYR N N 8 119.023 119.023 116.521 2.502 18806
1394 1 13 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806
1395 1 13 . 1 1 8 8 TYR C C 8 176.440 176.440 176.310 0.130 18806
1396 1 13 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.783 0.763 18806
1397 1 13 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.984 -0.924 18806
1398 1 13 . 1 1 9 9 CYS N N 9 115.815 115.815 117.496 -1.681 18806
1399 1 13 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.858 0.180 18806
1400 1 13 . 1 1 9 9 CYS C C 9 175.815 175.815 175.985 -0.170 18806
1401 1 13 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.297 -1.987 18806
1402 1 13 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.858 1.415 18806
1403 1 13 . 1 1 10 10 GLY N N 10 111.402 111.402 108.893 2.509 18806
1404 1 13 . 1 1 10 10 GLY C C 10 173.932 173.932 173.363 0.569 18806
1405 1 13 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.215 0.824 18806
1406 1 13 . 1 1 11 11 ARG N N 11 122.427 122.427 121.516 0.911 18806
1407 1 13 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.311 -0.383 18806
1408 1 13 . 1 1 11 11 ARG C C 11 174.220 174.220 174.799 -0.579 18806
1409 1 13 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.873 3.729 18806
1410 1 13 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.004 0.244 18806
1411 1 13 . 1 1 12 12 SER N N 12 115.605 115.605 121.694 -6.089 18806
1412 1 13 . 1 1 12 12 SER HA H 12 4.896 4.896 4.292 0.604 18806
1413 1 13 . 1 1 12 12 SER C C 12 172.775 172.775 173.299 -0.524 18806
1414 1 13 . 1 1 12 12 SER CA C 12 57.311 57.311 58.324 -1.013 18806
1415 1 13 . 1 1 12 12 SER CB C 12 65.516 65.516 63.641 1.875 18806
1416 1 13 . 1 1 13 13 PHE N N 13 118.534 118.534 124.957 -6.423 18806
1417 1 13 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.723 -0.132 18806
1418 1 13 . 1 1 13 13 PHE C C 13 175.330 175.330 176.283 -0.953 18806
1419 1 13 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.850 0.519 18806
1420 1 13 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.668 3.775 18806
1421 1 13 . 1 1 14 14 SER N N 14 114.545 114.545 117.069 -2.524 18806
1422 1 13 . 1 1 14 14 SER HA H 14 4.491 4.491 4.475 0.016 18806
1423 1 13 . 1 1 14 14 SER C C 14 173.113 173.113 173.804 -0.691 18806
1424 1 13 . 1 1 14 14 SER CA C 14 59.545 59.545 59.435 0.110 18806
1425 1 13 . 1 1 14 14 SER CB C 14 64.037 64.037 63.798 0.239 18806
1426 1 13 . 1 1 15 15 ASP N N 15 117.860 117.860 120.972 -3.112 18806
1427 1 13 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.251 -0.547 18806
1428 1 13 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.906 -0.209 18806
1429 1 13 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.345 -1.001 18806
1430 1 13 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.104 -0.548 18806
1431 1 13 . 1 1 16 16 PRO C C 16 178.801 178.801 177.904 0.897 18806
1432 1 13 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.164 -0.787 18806
1433 1 13 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.777 -0.209 18806
1434 1 13 . 1 1 17 17 THR N N 17 117.621 117.621 111.526 6.095 18806
1435 1 13 . 1 1 17 17 THR HA H 17 3.759 3.759 4.198 -0.439 18806
1436 1 13 . 1 1 17 17 THR C C 17 176.424 176.424 176.709 -0.285 18806
1437 1 13 . 1 1 17 17 THR CA C 17 66.554 66.554 64.916 1.638 18806
1438 1 13 . 1 1 17 17 THR CB C 17 67.664 67.664 68.674 -1.010 18806
1439 1 13 . 1 1 18 18 SER N N 18 119.883 119.883 117.375 2.508 18806
1440 1 13 . 1 1 18 18 SER HA H 18 3.871 3.871 4.288 -0.417 18806
1441 1 13 . 1 1 18 18 SER C C 18 177.038 177.038 176.085 0.953 18806
1442 1 13 . 1 1 18 18 SER CA C 18 61.906 61.906 61.523 0.383 18806
1443 1 13 . 1 1 18 18 SER CB C 18 61.877 61.877 62.952 -1.075 18806
1444 1 13 . 1 1 19 19 LYS N N 19 121.563 121.563 121.750 -0.187 18806
1445 1 13 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.866 -1.253 18806
1446 1 13 . 1 1 19 19 LYS C C 19 176.639 176.639 178.356 -1.717 18806
1447 1 13 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.909 0.578 18806
1448 1 13 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.433 -0.847 18806
1449 1 13 . 1 1 20 20 MET N N 20 118.908 118.908 119.852 -0.944 18806
1450 1 13 . 1 1 20 20 MET HA H 20 3.927 3.927 4.365 -0.438 18806
1451 1 13 . 1 1 20 20 MET C C 20 178.910 178.910 178.001 0.909 18806
1452 1 13 . 1 1 20 20 MET CA C 20 58.719 58.719 56.970 1.749 18806
1453 1 13 . 1 1 20 20 MET CB C 20 31.756 31.756 32.280 -0.524 18806
1454 1 13 . 1 1 21 21 ARG N N 21 118.164 118.164 119.627 -1.463 18806
1455 1 13 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.906 -0.001 18806
1456 1 13 . 1 1 21 21 ARG C C 21 179.107 179.107 178.435 0.672 18806
1457 1 13 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.896 -1.089 18806
1458 1 13 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.189 -0.088 18806
1459 1 13 . 1 1 22 22 HIS N N 22 117.794 117.794 118.981 -1.187 18806
1460 1 13 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.270 -0.103 18806
1461 1 13 . 1 1 22 22 HIS C C 22 178.014 178.014 177.490 0.524 18806
1462 1 13 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.648 -0.736 18806
1463 1 13 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.546 -1.625 18806
1464 1 13 . 1 1 23 23 LEU N N 23 122.319 122.319 118.748 3.571 18806
1465 1 13 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.304 -0.520 18806
1466 1 13 . 1 1 23 23 LEU C C 23 179.021 179.021 178.334 0.687 18806
1467 1 13 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.872 0.720 18806
1468 1 13 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.116 -0.458 18806
1469 1 13 . 1 1 24 24 GLU N N 24 116.297 116.297 117.950 -1.653 18806
1470 1 13 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.125 -0.133 18806
1471 1 13 . 1 1 24 24 GLU C C 24 178.251 178.251 179.265 -1.014 18806
1472 1 13 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.173 -0.844 18806
1473 1 13 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.784 -0.367 18806
1474 1 13 . 1 1 25 25 THR N N 25 108.890 108.890 114.728 -5.838 18806
1475 1 13 . 1 1 25 25 THR HA H 25 4.010 4.010 4.060 -0.050 18806
1476 1 13 . 1 1 25 25 THR C C 25 175.170 175.170 174.676 0.494 18806
1477 1 13 . 1 1 25 25 THR CA C 25 63.499 63.499 65.429 -1.930 18806
1478 1 13 . 1 1 25 25 THR CB C 25 69.177 69.177 68.437 0.740 18806
1479 1 13 . 1 1 26 26 HIS N N 26 118.044 118.044 117.440 0.604 18806
1480 1 13 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.385 0.082 18806
1481 1 13 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.385 -2.124 18806
1482 1 13 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.565 -0.923 18806
1483 1 14 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.527 -0.380 18806
1484 1 14 . 1 1 3 3 PRO C C 3 176.083 176.083 175.584 0.499 18806
1485 1 14 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.106 1.308 18806
1486 1 14 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.222 -0.345 18806
1487 1 14 . 1 1 4 4 TYR N N 4 117.838 117.838 119.898 -2.060 18806
1488 1 14 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.762 -0.302 18806
1489 1 14 . 1 1 4 4 TYR C C 4 174.569 174.569 175.336 -0.767 18806
1490 1 14 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.817 -0.047 18806
1491 1 14 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.099 -0.669 18806
1492 1 14 . 1 1 5 5 GLN N N 5 123.036 123.036 123.289 -0.253 18806
1493 1 14 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.793 0.084 18806
1494 1 14 . 1 1 5 5 GLN C C 5 175.122 175.122 174.667 0.455 18806
1495 1 14 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.651 -0.093 18806
1496 1 14 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.110 1.482 18806
1497 1 14 . 1 1 6 6 CYS N N 6 125.821 125.821 121.982 3.839 18806
1498 1 14 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.829 -0.552 18806
1499 1 14 . 1 1 6 6 CYS C C 6 176.578 176.578 175.281 1.297 18806
1500 1 14 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.158 1.087 18806
1501 1 14 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.545 1.733 18806
1502 1 14 . 1 1 7 7 ASP N N 7 129.841 129.841 129.050 0.791 18806
1503 1 14 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.374 -0.158 18806
1504 1 14 . 1 1 7 7 ASP C C 7 175.676 175.676 175.913 -0.237 18806
1505 1 14 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.410 -0.060 18806
1506 1 14 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.620 0.123 18806
1507 1 14 . 1 1 8 8 TYR N N 8 119.023 119.023 116.042 2.981 18806
1508 1 14 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.634 -0.394 18806
1509 1 14 . 1 1 8 8 TYR C C 8 176.440 176.440 176.249 0.191 18806
1510 1 14 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.318 1.228 18806
1511 1 14 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.695 -0.635 18806
1512 1 14 . 1 1 9 9 CYS N N 9 115.815 115.815 117.332 -1.517 18806
1513 1 14 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.806 0.232 18806
1514 1 14 . 1 1 9 9 CYS C C 9 175.815 175.815 176.083 -0.268 18806
1515 1 14 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.119 -1.809 18806
1516 1 14 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.713 1.560 18806
1517 1 14 . 1 1 10 10 GLY N N 10 111.402 111.402 109.120 2.282 18806
1518 1 14 . 1 1 10 10 GLY C C 10 173.932 173.932 173.492 0.440 18806
1519 1 14 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.324 0.715 18806
1520 1 14 . 1 1 11 11 ARG N N 11 122.427 122.427 121.667 0.760 18806
1521 1 14 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.188 -0.260 18806
1522 1 14 . 1 1 11 11 ARG C C 11 174.220 174.220 174.788 -0.568 18806
1523 1 14 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.258 3.344 18806
1524 1 14 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.746 0.502 18806
1525 1 14 . 1 1 12 12 SER N N 12 115.605 115.605 119.893 -4.288 18806
1526 1 14 . 1 1 12 12 SER HA H 12 4.896 4.896 4.449 0.447 18806
1527 1 14 . 1 1 12 12 SER C C 12 172.775 172.775 173.575 -0.800 18806
1528 1 14 . 1 1 12 12 SER CA C 12 57.311 57.311 57.233 0.078 18806
1529 1 14 . 1 1 12 12 SER CB C 12 65.516 65.516 63.582 1.934 18806
1530 1 14 . 1 1 13 13 PHE N N 13 118.534 118.534 124.677 -6.143 18806
1531 1 14 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.786 -0.195 18806
1532 1 14 . 1 1 13 13 PHE C C 13 175.330 175.330 176.796 -1.466 18806
1533 1 14 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.255 0.114 18806
1534 1 14 . 1 1 13 13 PHE CB C 13 43.443 43.443 41.343 2.100 18806
1535 1 14 . 1 1 14 14 SER N N 14 114.545 114.545 115.899 -1.354 18806
1536 1 14 . 1 1 14 14 SER HA H 14 4.491 4.491 4.671 -0.180 18806
1537 1 14 . 1 1 14 14 SER C C 14 173.113 173.113 173.657 -0.544 18806
1538 1 14 . 1 1 14 14 SER CA C 14 59.545 59.545 58.658 0.887 18806
1539 1 14 . 1 1 14 14 SER CB C 14 64.037 64.037 63.464 0.573 18806
1540 1 14 . 1 1 15 15 ASP N N 15 117.860 117.860 122.827 -4.967 18806
1541 1 14 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.080 -0.376 18806
1542 1 14 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.860 -0.163 18806
1543 1 14 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.853 -0.509 18806
1544 1 14 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.541 0.016 18806
1545 1 14 . 1 1 16 16 PRO C C 16 178.801 178.801 177.662 1.139 18806
1546 1 14 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.764 -0.387 18806
1547 1 14 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.695 -0.127 18806
1548 1 14 . 1 1 17 17 THR N N 17 117.621 117.621 112.776 4.845 18806
1549 1 14 . 1 1 17 17 THR HA H 17 3.759 3.759 4.077 -0.318 18806
1550 1 14 . 1 1 17 17 THR C C 17 176.424 176.424 176.379 0.045 18806
1551 1 14 . 1 1 17 17 THR CA C 17 66.554 66.554 66.566 -0.012 18806
1552 1 14 . 1 1 17 17 THR CB C 17 67.664 67.664 68.305 -0.641 18806
1553 1 14 . 1 1 18 18 SER N N 18 119.883 119.883 117.973 1.910 18806
1554 1 14 . 1 1 18 18 SER HA H 18 3.871 3.871 4.253 -0.382 18806
1555 1 14 . 1 1 18 18 SER C C 18 177.038 177.038 176.030 1.008 18806
1556 1 14 . 1 1 18 18 SER CA C 18 61.906 61.906 61.442 0.464 18806
1557 1 14 . 1 1 18 18 SER CB C 18 61.877 61.877 62.382 -0.505 18806
1558 1 14 . 1 1 19 19 LYS N N 19 121.563 121.563 121.195 0.368 18806
1559 1 14 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.642 -1.029 18806
1560 1 14 . 1 1 19 19 LYS C C 19 176.639 176.639 178.075 -1.436 18806
1561 1 14 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.865 0.622 18806
1562 1 14 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.283 -0.697 18806
1563 1 14 . 1 1 20 20 MET N N 20 118.908 118.908 119.489 -0.581 18806
1564 1 14 . 1 1 20 20 MET HA H 20 3.927 3.927 4.399 -0.472 18806
1565 1 14 . 1 1 20 20 MET C C 20 178.910 178.910 177.858 1.052 18806
1566 1 14 . 1 1 20 20 MET CA C 20 58.719 58.719 57.143 1.576 18806
1567 1 14 . 1 1 20 20 MET CB C 20 31.756 31.756 32.465 -0.709 18806
1568 1 14 . 1 1 21 21 ARG N N 21 118.164 118.164 118.907 -0.743 18806
1569 1 14 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.988 -0.083 18806
1570 1 14 . 1 1 21 21 ARG C C 21 179.107 179.107 178.785 0.322 18806
1571 1 14 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.627 -0.820 18806
1572 1 14 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.928 0.173 18806
1573 1 14 . 1 1 22 22 HIS N N 22 117.794 117.794 120.649 -2.855 18806
1574 1 14 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.373 -0.206 18806
1575 1 14 . 1 1 22 22 HIS C C 22 178.014 178.014 177.173 0.841 18806
1576 1 14 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.559 -0.647 18806
1577 1 14 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.749 -1.828 18806
1578 1 14 . 1 1 23 23 LEU N N 23 122.319 122.319 117.894 4.425 18806
1579 1 14 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.389 -0.605 18806
1580 1 14 . 1 1 23 23 LEU C C 23 179.021 179.021 178.718 0.303 18806
1581 1 14 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.897 0.695 18806
1582 1 14 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.291 -0.633 18806
1583 1 14 . 1 1 24 24 GLU N N 24 116.297 116.297 118.089 -1.792 18806
1584 1 14 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.205 -0.213 18806
1585 1 14 . 1 1 24 24 GLU C C 24 178.251 178.251 177.601 0.650 18806
1586 1 14 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.919 -0.590 18806
1587 1 14 . 1 1 24 24 GLU CB C 24 29.417 29.417 30.276 -0.859 18806
1588 1 14 . 1 1 25 25 THR N N 25 108.890 108.890 110.259 -1.369 18806
1589 1 14 . 1 1 25 25 THR HA H 25 4.010 4.010 4.303 -0.293 18806
1590 1 14 . 1 1 25 25 THR C C 25 175.170 175.170 176.097 -0.927 18806
1591 1 14 . 1 1 25 25 THR CA C 25 63.499 63.499 63.331 0.168 18806
1592 1 14 . 1 1 25 25 THR CB C 25 69.177 69.177 68.818 0.359 18806
1593 1 14 . 1 1 26 26 HIS N N 26 118.044 118.044 121.733 -3.689 18806
1594 1 14 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.439 0.028 18806
1595 1 14 . 1 1 26 26 HIS CA C 26 55.261 55.261 56.633 -1.371 18806
1596 1 14 . 1 1 26 26 HIS CB C 26 28.642 28.642 28.190 0.452 18806
1597 1 15 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.595 -0.448 18806
1598 1 15 . 1 1 3 3 PRO C C 3 176.083 176.083 175.635 0.448 18806
1599 1 15 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.315 1.100 18806
1600 1 15 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.964 -0.087 18806
1601 1 15 . 1 1 4 4 TYR N N 4 117.838 117.838 124.069 -6.231 18806
1602 1 15 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.708 -0.248 18806
1603 1 15 . 1 1 4 4 TYR C C 4 174.569 174.569 175.327 -0.758 18806
1604 1 15 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.929 -0.159 18806
1605 1 15 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.698 -2.268 18806
1606 1 15 . 1 1 5 5 GLN N N 5 123.036 123.036 122.706 0.330 18806
1607 1 15 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.435 0.442 18806
1608 1 15 . 1 1 5 5 GLN C C 5 175.122 175.122 175.327 -0.205 18806
1609 1 15 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.913 -1.355 18806
1610 1 15 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.397 2.195 18806
1611 1 15 . 1 1 6 6 CYS N N 6 125.821 125.821 125.784 0.037 18806
1612 1 15 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.587 -0.310 18806
1613 1 15 . 1 1 6 6 CYS C C 6 176.578 176.578 175.495 1.083 18806
1614 1 15 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.285 0.960 18806
1615 1 15 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.779 1.499 18806
1616 1 15 . 1 1 7 7 ASP N N 7 129.841 129.841 129.637 0.204 18806
1617 1 15 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.392 -0.176 18806
1618 1 15 . 1 1 7 7 ASP C C 7 175.676 175.676 176.244 -0.568 18806
1619 1 15 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.470 -0.120 18806
1620 1 15 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.488 0.255 18806
1621 1 15 . 1 1 8 8 TYR N N 8 119.023 119.023 116.073 2.950 18806
1622 1 15 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.717 -0.477 18806
1623 1 15 . 1 1 8 8 TYR C C 8 176.440 176.440 176.458 -0.018 18806
1624 1 15 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.379 1.167 18806
1625 1 15 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.589 -0.529 18806
1626 1 15 . 1 1 9 9 CYS N N 9 115.815 115.815 118.257 -2.442 18806
1627 1 15 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.822 0.216 18806
1628 1 15 . 1 1 9 9 CYS C C 9 175.815 175.815 176.215 -0.400 18806
1629 1 15 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.489 -2.179 18806
1630 1 15 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.940 2.333 18806
1631 1 15 . 1 1 10 10 GLY N N 10 111.402 111.402 109.319 2.083 18806
1632 1 15 . 1 1 10 10 GLY C C 10 173.932 173.932 173.263 0.669 18806
1633 1 15 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.311 0.728 18806
1634 1 15 . 1 1 11 11 ARG N N 11 122.427 122.427 120.689 1.738 18806
1635 1 15 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.426 -0.498 18806
1636 1 15 . 1 1 11 11 ARG C C 11 174.220 174.220 174.285 -0.065 18806
1637 1 15 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.431 3.171 18806
1638 1 15 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.209 -0.961 18806
1639 1 15 . 1 1 12 12 SER N N 12 115.605 115.605 121.781 -6.176 18806
1640 1 15 . 1 1 12 12 SER HA H 12 4.896 4.896 4.587 0.309 18806
1641 1 15 . 1 1 12 12 SER C C 12 172.775 172.775 173.667 -0.892 18806
1642 1 15 . 1 1 12 12 SER CA C 12 57.311 57.311 58.415 -1.104 18806
1643 1 15 . 1 1 12 12 SER CB C 12 65.516 65.516 63.233 2.283 18806
1644 1 15 . 1 1 13 13 PHE N N 13 118.534 118.534 126.398 -7.864 18806
1645 1 15 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.640 -0.049 18806
1646 1 15 . 1 1 13 13 PHE C C 13 175.330 175.330 176.326 -0.996 18806
1647 1 15 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.811 0.558 18806
1648 1 15 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.694 3.749 18806
1649 1 15 . 1 1 14 14 SER N N 14 114.545 114.545 118.011 -3.466 18806
1650 1 15 . 1 1 14 14 SER HA H 14 4.491 4.491 4.460 0.031 18806
1651 1 15 . 1 1 14 14 SER C C 14 173.113 173.113 172.953 0.160 18806
1652 1 15 . 1 1 14 14 SER CA C 14 59.545 59.545 58.362 1.183 18806
1653 1 15 . 1 1 14 14 SER CB C 14 64.037 64.037 62.881 1.156 18806
1654 1 15 . 1 1 15 15 ASP N N 15 117.860 117.860 122.900 -5.040 18806
1655 1 15 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.141 -0.437 18806
1656 1 15 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.239 -0.542 18806
1657 1 15 . 1 1 15 15 ASP CB C 15 42.344 42.344 41.907 0.437 18806
1658 1 15 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.372 -0.816 18806
1659 1 15 . 1 1 16 16 PRO C C 16 178.801 178.801 177.730 1.071 18806
1660 1 15 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.664 -1.287 18806
1661 1 15 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.105 -0.537 18806
1662 1 15 . 1 1 17 17 THR N N 17 117.621 117.621 112.061 5.560 18806
1663 1 15 . 1 1 17 17 THR HA H 17 3.759 3.759 4.227 -0.468 18806
1664 1 15 . 1 1 17 17 THR C C 17 176.424 176.424 176.041 0.383 18806
1665 1 15 . 1 1 17 17 THR CA C 17 66.554 66.554 65.558 0.996 18806
1666 1 15 . 1 1 17 17 THR CB C 17 67.664 67.664 68.762 -1.098 18806
1667 1 15 . 1 1 18 18 SER N N 18 119.883 119.883 118.021 1.862 18806
1668 1 15 . 1 1 18 18 SER HA H 18 3.871 3.871 4.293 -0.422 18806
1669 1 15 . 1 1 18 18 SER C C 18 177.038 177.038 175.892 1.146 18806
1670 1 15 . 1 1 18 18 SER CA C 18 61.906 61.906 61.138 0.768 18806
1671 1 15 . 1 1 18 18 SER CB C 18 61.877 61.877 62.977 -1.100 18806
1672 1 15 . 1 1 19 19 LYS N N 19 121.563 121.563 121.975 -0.412 18806
1673 1 15 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.720 -1.107 18806
1674 1 15 . 1 1 19 19 LYS C C 19 176.639 176.639 178.044 -1.405 18806
1675 1 15 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.035 0.452 18806
1676 1 15 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.432 -0.846 18806
1677 1 15 . 1 1 20 20 MET N N 20 118.908 118.908 119.571 -0.663 18806
1678 1 15 . 1 1 20 20 MET HA H 20 3.927 3.927 4.256 -0.329 18806
1679 1 15 . 1 1 20 20 MET C C 20 178.910 178.910 178.119 0.791 18806
1680 1 15 . 1 1 20 20 MET CA C 20 58.719 58.719 58.205 0.514 18806
1681 1 15 . 1 1 20 20 MET CB C 20 31.756 31.756 31.879 -0.123 18806
1682 1 15 . 1 1 21 21 ARG N N 21 118.164 118.164 118.004 0.160 18806
1683 1 15 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.996 -0.091 18806
1684 1 15 . 1 1 21 21 ARG C C 21 179.107 179.107 178.415 0.692 18806
1685 1 15 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.520 -0.714 18806
1686 1 15 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.861 0.240 18806
1687 1 15 . 1 1 22 22 HIS N N 22 117.794 117.794 120.728 -2.934 18806
1688 1 15 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.245 -0.078 18806
1689 1 15 . 1 1 22 22 HIS C C 22 178.014 178.014 177.104 0.910 18806
1690 1 15 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.927 -1.015 18806
1691 1 15 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.587 -1.665 18806
1692 1 15 . 1 1 23 23 LEU N N 23 122.319 122.319 119.862 2.457 18806
1693 1 15 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.187 -0.403 18806
1694 1 15 . 1 1 23 23 LEU C C 23 179.021 179.021 179.089 -0.068 18806
1695 1 15 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.932 0.659 18806
1696 1 15 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.294 0.364 18806
1697 1 15 . 1 1 24 24 GLU N N 24 116.297 116.297 116.583 -0.286 18806
1698 1 15 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.050 -0.058 18806
1699 1 15 . 1 1 24 24 GLU C C 24 178.251 178.251 179.132 -0.881 18806
1700 1 15 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.056 -0.727 18806
1701 1 15 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.134 0.284 18806
1702 1 15 . 1 1 25 25 THR N N 25 108.890 108.890 114.194 -5.304 18806
1703 1 15 . 1 1 25 25 THR HA H 25 4.010 4.010 4.173 -0.163 18806
1704 1 15 . 1 1 25 25 THR C C 25 175.170 175.170 175.801 -0.631 18806
1705 1 15 . 1 1 25 25 THR CA C 25 63.499 63.499 65.351 -1.852 18806
1706 1 15 . 1 1 25 25 THR CB C 25 69.177 69.177 69.395 -0.218 18806
1707 1 15 . 1 1 26 26 HIS N N 26 118.044 118.044 115.532 2.512 18806
1708 1 15 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.693 -0.226 18806
1709 1 15 . 1 1 26 26 HIS CA C 26 55.261 55.261 55.224 0.037 18806
1710 1 15 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.951 -1.309 18806
1711 1 16 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.486 -0.339 18806
1712 1 16 . 1 1 3 3 PRO C C 3 176.083 176.083 175.542 0.541 18806
1713 1 16 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.340 1.075 18806
1714 1 16 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.626 -0.749 18806
1715 1 16 . 1 1 4 4 TYR N N 4 117.838 117.838 120.691 -2.853 18806
1716 1 16 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.645 -0.185 18806
1717 1 16 . 1 1 4 4 TYR C C 4 174.569 174.569 175.476 -0.907 18806
1718 1 16 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.025 -0.255 18806
1719 1 16 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.567 0.863 18806
1720 1 16 . 1 1 5 5 GLN N N 5 123.036 123.036 124.462 -1.426 18806
1721 1 16 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.902 -0.025 18806
1722 1 16 . 1 1 5 5 GLN C C 5 175.122 175.122 175.001 0.121 18806
1723 1 16 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.638 -1.080 18806
1724 1 16 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.611 0.981 18806
1725 1 16 . 1 1 6 6 CYS N N 6 125.821 125.821 125.949 -0.128 18806
1726 1 16 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.692 -0.415 18806
1727 1 16 . 1 1 6 6 CYS C C 6 176.578 176.578 175.234 1.344 18806
1728 1 16 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.521 0.724 18806
1729 1 16 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.743 1.535 18806
1730 1 16 . 1 1 7 7 ASP N N 7 129.841 129.841 129.865 -0.024 18806
1731 1 16 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.473 -0.257 18806
1732 1 16 . 1 1 7 7 ASP C C 7 175.676 175.676 176.044 -0.368 18806
1733 1 16 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.602 -0.252 18806
1734 1 16 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.470 0.273 18806
1735 1 16 . 1 1 8 8 TYR N N 8 119.023 119.023 115.477 3.546 18806
1736 1 16 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.816 -0.576 18806
1737 1 16 . 1 1 8 8 TYR C C 8 176.440 176.440 176.022 0.418 18806
1738 1 16 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.545 2.001 18806
1739 1 16 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.885 -0.825 18806
1740 1 16 . 1 1 9 9 CYS N N 9 115.815 115.815 116.418 -0.603 18806
1741 1 16 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.817 0.221 18806
1742 1 16 . 1 1 9 9 CYS C C 9 175.815 175.815 175.843 -0.028 18806
1743 1 16 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.638 -1.328 18806
1744 1 16 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.169 1.105 18806
1745 1 16 . 1 1 10 10 GLY N N 10 111.402 111.402 109.553 1.849 18806
1746 1 16 . 1 1 10 10 GLY C C 10 173.932 173.932 173.490 0.442 18806
1747 1 16 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.368 0.671 18806
1748 1 16 . 1 1 11 11 ARG N N 11 122.427 122.427 121.234 1.193 18806
1749 1 16 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.324 -0.396 18806
1750 1 16 . 1 1 11 11 ARG C C 11 174.220 174.220 174.915 -0.695 18806
1751 1 16 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.347 2.255 18806
1752 1 16 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.430 -0.182 18806
1753 1 16 . 1 1 12 12 SER N N 12 115.605 115.605 119.633 -4.028 18806
1754 1 16 . 1 1 12 12 SER HA H 12 4.896 4.896 4.871 0.025 18806
1755 1 16 . 1 1 12 12 SER C C 12 172.775 172.775 173.934 -1.159 18806
1756 1 16 . 1 1 12 12 SER CA C 12 57.311 57.311 57.283 0.028 18806
1757 1 16 . 1 1 12 12 SER CB C 12 65.516 65.516 63.428 2.087 18806
1758 1 16 . 1 1 13 13 PHE N N 13 118.534 118.534 125.574 -7.040 18806
1759 1 16 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.717 -0.126 18806
1760 1 16 . 1 1 13 13 PHE C C 13 175.330 175.330 176.662 -1.332 18806
1761 1 16 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.363 0.006 18806
1762 1 16 . 1 1 13 13 PHE CB C 13 43.443 43.443 41.346 2.097 18806
1763 1 16 . 1 1 14 14 SER N N 14 114.545 114.545 116.751 -2.206 18806
1764 1 16 . 1 1 14 14 SER HA H 14 4.491 4.491 4.576 -0.085 18806
1765 1 16 . 1 1 14 14 SER C C 14 173.113 173.113 173.509 -0.396 18806
1766 1 16 . 1 1 14 14 SER CA C 14 59.545 59.545 59.024 0.521 18806
1767 1 16 . 1 1 14 14 SER CB C 14 64.037 64.037 63.820 0.217 18806
1768 1 16 . 1 1 15 15 ASP N N 15 117.860 117.860 121.767 -3.907 18806
1769 1 16 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.040 -0.336 18806
1770 1 16 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.511 -0.814 18806
1771 1 16 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.980 -0.636 18806
1772 1 16 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.715 -0.159 18806
1773 1 16 . 1 1 16 16 PRO C C 16 178.801 178.801 177.522 1.279 18806
1774 1 16 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.858 -0.481 18806
1775 1 16 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.500 0.068 18806
1776 1 16 . 1 1 17 17 THR N N 17 117.621 117.621 112.896 4.725 18806
1777 1 16 . 1 1 17 17 THR HA H 17 3.759 3.759 4.095 -0.336 18806
1778 1 16 . 1 1 17 17 THR C C 17 176.424 176.424 176.153 0.271 18806
1779 1 16 . 1 1 17 17 THR CA C 17 66.554 66.554 65.983 0.571 18806
1780 1 16 . 1 1 17 17 THR CB C 17 67.664 67.664 68.473 -0.809 18806
1781 1 16 . 1 1 18 18 SER N N 18 119.883 119.883 117.099 2.784 18806
1782 1 16 . 1 1 18 18 SER HA H 18 3.871 3.871 4.324 -0.453 18806
1783 1 16 . 1 1 18 18 SER C C 18 177.038 177.038 175.535 1.503 18806
1784 1 16 . 1 1 18 18 SER CA C 18 61.906 61.906 61.492 0.414 18806
1785 1 16 . 1 1 18 18 SER CB C 18 61.877 61.877 62.891 -1.014 18806
1786 1 16 . 1 1 19 19 LYS N N 19 121.563 121.563 122.094 -0.531 18806
1787 1 16 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.260 -0.647 18806
1788 1 16 . 1 1 19 19 LYS C C 19 176.639 176.639 177.650 -1.011 18806
1789 1 16 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.935 0.551 18806
1790 1 16 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806
1791 1 16 . 1 1 20 20 MET N N 20 118.908 118.908 119.453 -0.545 18806
1792 1 16 . 1 1 20 20 MET HA H 20 3.927 3.927 4.224 -0.297 18806
1793 1 16 . 1 1 20 20 MET C C 20 178.910 178.910 177.717 1.193 18806
1794 1 16 . 1 1 20 20 MET CA C 20 58.719 58.719 57.022 1.697 18806
1795 1 16 . 1 1 20 20 MET CB C 20 31.756 31.756 32.129 -0.373 18806
1796 1 16 . 1 1 21 21 ARG N N 21 118.164 118.164 117.960 0.204 18806
1797 1 16 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.107 -0.202 18806
1798 1 16 . 1 1 21 21 ARG C C 21 179.107 179.107 178.065 1.042 18806
1799 1 16 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.521 -0.714 18806
1800 1 16 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.245 0.856 18806
1801 1 16 . 1 1 22 22 HIS N N 22 117.794 117.794 120.187 -2.393 18806
1802 1 16 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.311 -0.144 18806
1803 1 16 . 1 1 22 22 HIS C C 22 178.014 178.014 177.315 0.699 18806
1804 1 16 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.725 -0.813 18806
1805 1 16 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.839 -1.918 18806
1806 1 16 . 1 1 23 23 LEU N N 23 122.319 122.319 120.197 2.122 18806
1807 1 16 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.387 -0.603 18806
1808 1 16 . 1 1 23 23 LEU C C 23 179.021 179.021 178.171 0.850 18806
1809 1 16 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.886 0.706 18806
1810 1 16 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.584 -0.926 18806
1811 1 16 . 1 1 24 24 GLU N N 24 116.297 116.297 114.637 1.660 18806
1812 1 16 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.381 -0.389 18806
1813 1 16 . 1 1 24 24 GLU C C 24 178.251 178.251 177.569 0.682 18806
1814 1 16 . 1 1 24 24 GLU CA C 24 58.329 58.329 57.749 0.580 18806
1815 1 16 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.107 0.310 18806
1816 1 16 . 1 1 25 25 THR N N 25 108.890 108.890 115.395 -6.505 18806
1817 1 16 . 1 1 25 25 THR HA H 25 4.010 4.010 4.310 -0.300 18806
1818 1 16 . 1 1 25 25 THR C C 25 175.170 175.170 175.413 -0.243 18806
1819 1 16 . 1 1 25 25 THR CA C 25 63.499 63.499 64.712 -1.213 18806
1820 1 16 . 1 1 25 25 THR CB C 25 69.177 69.177 69.866 -0.689 18806
1821 1 16 . 1 1 26 26 HIS N N 26 118.044 118.044 117.699 0.345 18806
1822 1 16 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.772 -0.305 18806
1823 1 16 . 1 1 26 26 HIS CA C 26 55.261 55.261 54.304 0.957 18806
1824 1 16 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.260 -1.618 18806
1825 1 17 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.426 -0.279 18806
1826 1 17 . 1 1 3 3 PRO C C 3 176.083 176.083 175.573 0.510 18806
1827 1 17 . 1 1 3 3 PRO CA C 3 63.415 63.415 61.988 1.427 18806
1828 1 17 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.037 -0.160 18806
1829 1 17 . 1 1 4 4 TYR N N 4 117.838 117.838 121.385 -3.547 18806
1830 1 17 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.752 -0.292 18806
1831 1 17 . 1 1 4 4 TYR C C 4 174.569 174.569 175.740 -1.171 18806
1832 1 17 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.148 -0.378 18806
1833 1 17 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.889 -1.459 18806
1834 1 17 . 1 1 5 5 GLN N N 5 123.036 123.036 122.987 0.049 18806
1835 1 17 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.611 0.266 18806
1836 1 17 . 1 1 5 5 GLN C C 5 175.122 175.122 174.837 0.285 18806
1837 1 17 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.224 -0.666 18806
1838 1 17 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.910 1.681 18806
1839 1 17 . 1 1 6 6 CYS N N 6 125.821 125.821 121.855 3.966 18806
1840 1 17 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.921 -0.644 18806
1841 1 17 . 1 1 6 6 CYS C C 6 176.578 176.578 175.001 1.577 18806
1842 1 17 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.503 1.742 18806
1843 1 17 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.368 0.910 18806
1844 1 17 . 1 1 7 7 ASP N N 7 129.841 129.841 129.111 0.730 18806
1845 1 17 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.426 -0.210 18806
1846 1 17 . 1 1 7 7 ASP C C 7 175.676 175.676 175.841 -0.165 18806
1847 1 17 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.253 0.097 18806
1848 1 17 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.478 0.265 18806
1849 1 17 . 1 1 8 8 TYR N N 8 119.023 119.023 116.007 3.016 18806
1850 1 17 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806
1851 1 17 . 1 1 8 8 TYR C C 8 176.440 176.440 176.653 -0.213 18806
1852 1 17 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.852 0.694 18806
1853 1 17 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.855 -0.795 18806
1854 1 17 . 1 1 9 9 CYS N N 9 115.815 115.815 118.108 -2.293 18806
1855 1 17 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.790 0.248 18806
1856 1 17 . 1 1 9 9 CYS C C 9 175.815 175.815 176.213 -0.398 18806
1857 1 17 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.623 -2.313 18806
1858 1 17 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.666 2.607 18806
1859 1 17 . 1 1 10 10 GLY N N 10 111.402 111.402 109.268 2.134 18806
1860 1 17 . 1 1 10 10 GLY C C 10 173.932 173.932 173.242 0.690 18806
1861 1 17 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.314 0.725 18806
1862 1 17 . 1 1 11 11 ARG N N 11 122.427 122.427 120.754 1.673 18806
1863 1 17 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.430 -0.502 18806
1864 1 17 . 1 1 11 11 ARG C C 11 174.220 174.220 174.394 -0.174 18806
1865 1 17 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.530 3.072 18806
1866 1 17 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.046 -0.798 18806
1867 1 17 . 1 1 12 12 SER N N 12 115.605 115.605 122.086 -6.481 18806
1868 1 17 . 1 1 12 12 SER HA H 12 4.896 4.896 4.555 0.341 18806
1869 1 17 . 1 1 12 12 SER C C 12 172.775 172.775 173.589 -0.814 18806
1870 1 17 . 1 1 12 12 SER CA C 12 57.311 57.311 58.436 -1.125 18806
1871 1 17 . 1 1 12 12 SER CB C 12 65.516 65.516 63.428 2.088 18806
1872 1 17 . 1 1 13 13 PHE N N 13 118.534 118.534 126.326 -7.792 18806
1873 1 17 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.648 -0.057 18806
1874 1 17 . 1 1 13 13 PHE C C 13 175.330 175.330 176.316 -0.986 18806
1875 1 17 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.408 -0.039 18806
1876 1 17 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.081 3.362 18806
1877 1 17 . 1 1 14 14 SER N N 14 114.545 114.545 118.242 -3.697 18806
1878 1 17 . 1 1 14 14 SER HA H 14 4.491 4.491 4.435 0.056 18806
1879 1 17 . 1 1 14 14 SER C C 14 173.113 173.113 173.446 -0.333 18806
1880 1 17 . 1 1 14 14 SER CA C 14 59.545 59.545 58.326 1.219 18806
1881 1 17 . 1 1 14 14 SER CB C 14 64.037 64.037 63.077 0.960 18806
1882 1 17 . 1 1 15 15 ASP N N 15 117.860 117.860 121.935 -4.075 18806
1883 1 17 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.141 -0.437 18806
1884 1 17 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.175 -0.478 18806
1885 1 17 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.402 -0.058 18806
1886 1 17 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.242 -0.686 18806
1887 1 17 . 1 1 16 16 PRO C C 16 178.801 178.801 178.253 0.548 18806
1888 1 17 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.499 -1.122 18806
1889 1 17 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.009 -0.441 18806
1890 1 17 . 1 1 17 17 THR N N 17 117.621 117.621 113.098 4.523 18806
1891 1 17 . 1 1 17 17 THR HA H 17 3.759 3.759 4.149 -0.390 18806
1892 1 17 . 1 1 17 17 THR C C 17 176.424 176.424 176.893 -0.469 18806
1893 1 17 . 1 1 17 17 THR CA C 17 66.554 66.554 66.552 0.002 18806
1894 1 17 . 1 1 17 17 THR CB C 17 67.664 67.664 68.168 -0.504 18806
1895 1 17 . 1 1 18 18 SER N N 18 119.883 119.883 117.686 2.197 18806
1896 1 17 . 1 1 18 18 SER HA H 18 3.871 3.871 4.304 -0.433 18806
1897 1 17 . 1 1 18 18 SER C C 18 177.038 177.038 175.788 1.250 18806
1898 1 17 . 1 1 18 18 SER CA C 18 61.906 61.906 62.058 -0.152 18806
1899 1 17 . 1 1 18 18 SER CB C 18 61.877 61.877 62.740 -0.863 18806
1900 1 17 . 1 1 19 19 LYS N N 19 121.563 121.563 121.415 0.148 18806
1901 1 17 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.502 -0.889 18806
1902 1 17 . 1 1 19 19 LYS C C 19 176.639 176.639 177.848 -1.209 18806
1903 1 17 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.225 0.262 18806
1904 1 17 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.560 -0.975 18806
1905 1 17 . 1 1 20 20 MET N N 20 118.908 118.908 119.298 -0.390 18806
1906 1 17 . 1 1 20 20 MET HA H 20 3.927 3.927 4.336 -0.409 18806
1907 1 17 . 1 1 20 20 MET C C 20 178.910 178.910 177.981 0.929 18806
1908 1 17 . 1 1 20 20 MET CA C 20 58.719 58.719 57.036 1.683 18806
1909 1 17 . 1 1 20 20 MET CB C 20 31.756 31.756 32.430 -0.674 18806
1910 1 17 . 1 1 21 21 ARG N N 21 118.164 118.164 119.032 -0.868 18806
1911 1 17 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.931 -0.026 18806
1912 1 17 . 1 1 21 21 ARG C C 21 179.107 179.107 178.635 0.472 18806
1913 1 17 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.881 -1.074 18806
1914 1 17 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.960 0.141 18806
1915 1 17 . 1 1 22 22 HIS N N 22 117.794 117.794 118.972 -1.178 18806
1916 1 17 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.266 -0.099 18806
1917 1 17 . 1 1 22 22 HIS C C 22 178.014 178.014 176.653 1.361 18806
1918 1 17 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.340 -0.428 18806
1919 1 17 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.650 -1.729 18806
1920 1 17 . 1 1 23 23 LEU N N 23 122.319 122.319 119.446 2.873 18806
1921 1 17 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.190 -0.406 18806
1922 1 17 . 1 1 23 23 LEU C C 23 179.021 179.021 179.063 -0.042 18806
1923 1 17 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.035 0.557 18806
1924 1 17 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.196 -0.538 18806
1925 1 17 . 1 1 24 24 GLU N N 24 116.297 116.297 119.441 -3.144 18806
1926 1 17 . 1 1 24 24 GLU HA H 24 3.992 3.992 3.988 0.004 18806
1927 1 17 . 1 1 24 24 GLU C C 24 178.251 178.251 178.653 -0.402 18806
1928 1 17 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.580 -1.251 18806
1929 1 17 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.551 -0.134 18806
1930 1 17 . 1 1 25 25 THR N N 25 108.890 108.890 114.550 -5.660 18806
1931 1 17 . 1 1 25 25 THR HA H 25 4.010 4.010 4.138 -0.129 18806
1932 1 17 . 1 1 25 25 THR C C 25 175.170 175.170 174.800 0.370 18806
1933 1 17 . 1 1 25 25 THR CA C 25 63.499 63.499 64.244 -0.745 18806
1934 1 17 . 1 1 25 25 THR CB C 25 69.177 69.177 68.069 1.108 18806
1935 1 17 . 1 1 26 26 HIS N N 26 118.044 118.044 119.605 -1.561 18806
1936 1 17 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.410 0.057 18806
1937 1 17 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.569 -2.308 18806
1938 1 17 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.125 -0.483 18806
1939 1 18 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.646 -0.499 18806
1940 1 18 . 1 1 3 3 PRO C C 3 176.083 176.083 175.618 0.465 18806
1941 1 18 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.478 0.937 18806
1942 1 18 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.364 -0.487 18806
1943 1 18 . 1 1 4 4 TYR N N 4 117.838 117.838 122.920 -5.082 18806
1944 1 18 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.721 -0.261 18806
1945 1 18 . 1 1 4 4 TYR C C 4 174.569 174.569 175.618 -1.049 18806
1946 1 18 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.780 -0.010 18806
1947 1 18 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.184 0.246 18806
1948 1 18 . 1 1 5 5 GLN N N 5 123.036 123.036 122.353 0.683 18806
1949 1 18 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.743 0.134 18806
1950 1 18 . 1 1 5 5 GLN C C 5 175.122 175.122 175.604 -0.482 18806
1951 1 18 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.224 -0.666 18806
1952 1 18 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.253 2.338 18806
1953 1 18 . 1 1 6 6 CYS N N 6 125.821 125.821 124.461 1.360 18806
1954 1 18 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.865 -0.588 18806
1955 1 18 . 1 1 6 6 CYS C C 6 176.578 176.578 175.427 1.151 18806
1956 1 18 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.160 1.085 18806
1957 1 18 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.694 0.584 18806
1958 1 18 . 1 1 7 7 ASP N N 7 129.841 129.841 129.450 0.391 18806
1959 1 18 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.626 -0.410 18806
1960 1 18 . 1 1 7 7 ASP C C 7 175.676 175.676 176.283 -0.607 18806
1961 1 18 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.550 -0.201 18806
1962 1 18 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.605 0.138 18806
1963 1 18 . 1 1 8 8 TYR N N 8 119.023 119.023 117.906 1.117 18806
1964 1 18 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.535 -0.295 18806
1965 1 18 . 1 1 8 8 TYR C C 8 176.440 176.440 177.000 -0.560 18806
1966 1 18 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.717 -0.171 18806
1967 1 18 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.740 -0.680 18806
1968 1 18 . 1 1 9 9 CYS N N 9 115.815 115.815 117.445 -1.630 18806
1969 1 18 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.871 0.167 18806
1970 1 18 . 1 1 9 9 CYS C C 9 175.815 175.815 176.102 -0.287 18806
1971 1 18 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.251 -1.941 18806
1972 1 18 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.108 2.165 18806
1973 1 18 . 1 1 10 10 GLY N N 10 111.402 111.402 109.271 2.131 18806
1974 1 18 . 1 1 10 10 GLY C C 10 173.932 173.932 173.288 0.644 18806
1975 1 18 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.405 0.634 18806
1976 1 18 . 1 1 11 11 ARG N N 11 122.427 122.427 120.482 1.945 18806
1977 1 18 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.463 -0.535 18806
1978 1 18 . 1 1 11 11 ARG C C 11 174.220 174.220 174.512 -0.292 18806
1979 1 18 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.432 3.170 18806
1980 1 18 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.807 -0.559 18806
1981 1 18 . 1 1 12 12 SER N N 12 115.605 115.605 121.584 -5.979 18806
1982 1 18 . 1 1 12 12 SER HA H 12 4.896 4.896 4.709 0.187 18806
1983 1 18 . 1 1 12 12 SER C C 12 172.775 172.775 173.665 -0.890 18806
1984 1 18 . 1 1 12 12 SER CA C 12 57.311 57.311 57.973 -0.662 18806
1985 1 18 . 1 1 12 12 SER CB C 12 65.516 65.516 63.000 2.516 18806
1986 1 18 . 1 1 13 13 PHE N N 13 118.534 118.534 126.206 -7.672 18806
1987 1 18 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.592 -0.001 18806
1988 1 18 . 1 1 13 13 PHE C C 13 175.330 175.330 176.435 -1.105 18806
1989 1 18 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.547 -0.178 18806
1990 1 18 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.562 3.881 18806
1991 1 18 . 1 1 14 14 SER N N 14 114.545 114.545 116.772 -2.227 18806
1992 1 18 . 1 1 14 14 SER HA H 14 4.491 4.491 4.487 0.004 18806
1993 1 18 . 1 1 14 14 SER C C 14 173.113 173.113 173.768 -0.655 18806
1994 1 18 . 1 1 14 14 SER CA C 14 59.545 59.545 58.700 0.845 18806
1995 1 18 . 1 1 14 14 SER CB C 14 64.037 64.037 63.422 0.615 18806
1996 1 18 . 1 1 15 15 ASP N N 15 117.860 117.860 120.883 -3.023 18806
1997 1 18 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.182 -0.478 18806
1998 1 18 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.390 0.307 18806
1999 1 18 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.128 -0.784 18806
2000 1 18 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.809 -0.253 18806
2001 1 18 . 1 1 16 16 PRO C C 16 178.801 178.801 177.249 1.552 18806
2002 1 18 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.978 -0.601 18806
2003 1 18 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.743 -0.175 18806
2004 1 18 . 1 1 17 17 THR N N 17 117.621 117.621 111.435 6.186 18806
2005 1 18 . 1 1 17 17 THR HA H 17 3.759 3.759 4.218 -0.459 18806
2006 1 18 . 1 1 17 17 THR C C 17 176.424 176.424 176.470 -0.046 18806
2007 1 18 . 1 1 17 17 THR CA C 17 66.554 66.554 66.144 0.410 18806
2008 1 18 . 1 1 17 17 THR CB C 17 67.664 67.664 68.344 -0.680 18806
2009 1 18 . 1 1 18 18 SER N N 18 119.883 119.883 117.521 2.362 18806
2010 1 18 . 1 1 18 18 SER HA H 18 3.871 3.871 4.282 -0.411 18806
2011 1 18 . 1 1 18 18 SER C C 18 177.038 177.038 175.740 1.298 18806
2012 1 18 . 1 1 18 18 SER CA C 18 61.906 61.906 61.406 0.500 18806
2013 1 18 . 1 1 18 18 SER CB C 18 61.877 61.877 62.440 -0.562 18806
2014 1 18 . 1 1 19 19 LYS N N 19 121.563 121.563 121.914 -0.351 18806
2015 1 18 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.469 -0.856 18806
2016 1 18 . 1 1 19 19 LYS C C 19 176.639 176.639 177.839 -1.200 18806
2017 1 18 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.562 0.925 18806
2018 1 18 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.915 -0.329 18806
2019 1 18 . 1 1 20 20 MET N N 20 118.908 118.908 119.180 -0.272 18806
2020 1 18 . 1 1 20 20 MET HA H 20 3.927 3.927 4.306 -0.379 18806
2021 1 18 . 1 1 20 20 MET C C 20 178.910 178.910 177.884 1.026 18806
2022 1 18 . 1 1 20 20 MET CA C 20 58.719 58.719 56.829 1.890 18806
2023 1 18 . 1 1 20 20 MET CB C 20 31.756 31.756 32.017 -0.261 18806
2024 1 18 . 1 1 21 21 ARG N N 21 118.164 118.164 120.487 -2.323 18806
2025 1 18 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.235 -0.330 18806
2026 1 18 . 1 1 21 21 ARG C C 21 179.107 179.107 178.536 0.571 18806
2027 1 18 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.630 -0.824 18806
2028 1 18 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.892 0.209 18806
2029 1 18 . 1 1 22 22 HIS N N 22 117.794 117.794 119.078 -1.284 18806
2030 1 18 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.200 -0.033 18806
2031 1 18 . 1 1 22 22 HIS C C 22 178.014 178.014 177.348 0.666 18806
2032 1 18 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.146 -0.234 18806
2033 1 18 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.487 -1.566 18806
2034 1 18 . 1 1 23 23 LEU N N 23 122.319 122.319 119.156 3.163 18806
2035 1 18 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.091 -0.307 18806
2036 1 18 . 1 1 23 23 LEU C C 23 179.021 179.021 178.551 0.470 18806
2037 1 18 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.349 1.243 18806
2038 1 18 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.268 0.390 18806
2039 1 18 . 1 1 24 24 GLU N N 24 116.297 116.297 118.410 -2.113 18806
2040 1 18 . 1 1 24 24 GLU HA H 24 3.992 3.992 3.991 0.001 18806
2041 1 18 . 1 1 24 24 GLU C C 24 178.251 178.251 179.154 -0.903 18806
2042 1 18 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.151 -0.823 18806
2043 1 18 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.514 -0.097 18806
2044 1 18 . 1 1 25 25 THR N N 25 108.890 108.890 113.323 -4.433 18806
2045 1 18 . 1 1 25 25 THR HA H 25 4.010 4.010 4.026 -0.016 18806
2046 1 18 . 1 1 25 25 THR C C 25 175.170 175.170 175.485 -0.315 18806
2047 1 18 . 1 1 25 25 THR CA C 25 63.499 63.499 63.427 0.072 18806
2048 1 18 . 1 1 25 25 THR CB C 25 69.177 69.177 68.203 0.974 18806
2049 1 18 . 1 1 26 26 HIS N N 26 118.044 118.044 119.128 -1.084 18806
2050 1 18 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.175 0.292 18806
2051 1 18 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.267 -4.006 18806
2052 1 18 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.424 -0.782 18806
2053 1 19 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.651 -0.504 18806
2054 1 19 . 1 1 3 3 PRO C C 3 176.083 176.083 175.470 0.613 18806
2055 1 19 . 1 1 3 3 PRO CA C 3 63.415 63.415 61.874 1.541 18806
2056 1 19 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.304 -0.427 18806
2057 1 19 . 1 1 4 4 TYR N N 4 117.838 117.838 123.156 -5.318 18806
2058 1 19 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.736 -0.276 18806
2059 1 19 . 1 1 4 4 TYR C C 4 174.569 174.569 175.151 -0.582 18806
2060 1 19 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.926 -0.156 18806
2061 1 19 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.372 -1.942 18806
2062 1 19 . 1 1 5 5 GLN N N 5 123.036 123.036 122.505 0.531 18806
2063 1 19 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.771 0.106 18806
2064 1 19 . 1 1 5 5 GLN C C 5 175.122 175.122 175.205 -0.083 18806
2065 1 19 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.701 -0.143 18806
2066 1 19 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.517 2.075 18806
2067 1 19 . 1 1 6 6 CYS N N 6 125.821 125.821 123.150 2.671 18806
2068 1 19 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.820 -0.543 18806
2069 1 19 . 1 1 6 6 CYS C C 6 176.578 176.578 175.290 1.288 18806
2070 1 19 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.176 1.069 18806
2071 1 19 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.882 1.396 18806
2072 1 19 . 1 1 7 7 ASP N N 7 129.841 129.841 128.450 1.391 18806
2073 1 19 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.395 -0.179 18806
2074 1 19 . 1 1 7 7 ASP C C 7 175.676 175.676 176.144 -0.468 18806
2075 1 19 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.740 -0.390 18806
2076 1 19 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.804 -0.061 18806
2077 1 19 . 1 1 8 8 TYR N N 8 119.023 119.023 116.740 2.283 18806
2078 1 19 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.535 -0.295 18806
2079 1 19 . 1 1 8 8 TYR C C 8 176.440 176.440 176.852 -0.412 18806
2080 1 19 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.223 0.323 18806
2081 1 19 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.909 -0.849 18806
2082 1 19 . 1 1 9 9 CYS N N 9 115.815 115.815 117.236 -1.421 18806
2083 1 19 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.840 0.198 18806
2084 1 19 . 1 1 9 9 CYS C C 9 175.815 175.815 176.150 -0.335 18806
2085 1 19 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.583 -1.273 18806
2086 1 19 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.094 3.179 18806
2087 1 19 . 1 1 10 10 GLY N N 10 111.402 111.402 108.973 2.429 18806
2088 1 19 . 1 1 10 10 GLY C C 10 173.932 173.932 173.649 0.283 18806
2089 1 19 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.336 0.703 18806
2090 1 19 . 1 1 11 11 ARG N N 11 122.427 122.427 120.854 1.573 18806
2091 1 19 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.406 -0.478 18806
2092 1 19 . 1 1 11 11 ARG C C 11 174.220 174.220 174.531 -0.311 18806
2093 1 19 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.438 4.164 18806
2094 1 19 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.646 -0.398 18806
2095 1 19 . 1 1 12 12 SER N N 12 115.605 115.605 121.958 -6.353 18806
2096 1 19 . 1 1 12 12 SER HA H 12 4.896 4.896 4.439 0.457 18806
2097 1 19 . 1 1 12 12 SER C C 12 172.775 172.775 173.244 -0.469 18806
2098 1 19 . 1 1 12 12 SER CA C 12 57.311 57.311 58.139 -0.828 18806
2099 1 19 . 1 1 12 12 SER CB C 12 65.516 65.516 63.602 1.915 18806
2100 1 19 . 1 1 13 13 PHE N N 13 118.534 118.534 125.015 -6.481 18806
2101 1 19 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.659 -0.068 18806
2102 1 19 . 1 1 13 13 PHE C C 13 175.330 175.330 176.473 -1.143 18806
2103 1 19 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.700 0.669 18806
2104 1 19 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.705 3.738 18806
2105 1 19 . 1 1 14 14 SER N N 14 114.545 114.545 116.616 -2.071 18806
2106 1 19 . 1 1 14 14 SER HA H 14 4.491 4.491 4.449 0.042 18806
2107 1 19 . 1 1 14 14 SER C C 14 173.113 173.113 173.147 -0.034 18806
2108 1 19 . 1 1 14 14 SER CA C 14 59.545 59.545 58.984 0.561 18806
2109 1 19 . 1 1 14 14 SER CB C 14 64.037 64.037 63.424 0.613 18806
2110 1 19 . 1 1 15 15 ASP N N 15 117.860 117.860 120.452 -2.592 18806
2111 1 19 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.238 -0.534 18806
2112 1 19 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.195 -0.498 18806
2113 1 19 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.766 -1.422 18806
2114 1 19 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.165 -0.609 18806
2115 1 19 . 1 1 16 16 PRO C C 16 178.801 178.801 178.231 0.570 18806
2116 1 19 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.674 -1.297 18806
2117 1 19 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.190 -0.622 18806
2118 1 19 . 1 1 17 17 THR N N 17 117.621 117.621 112.648 4.973 18806
2119 1 19 . 1 1 17 17 THR HA H 17 3.759 3.759 3.966 -0.207 18806
2120 1 19 . 1 1 17 17 THR C C 17 176.424 176.424 176.183 0.241 18806
2121 1 19 . 1 1 17 17 THR CA C 17 66.554 66.554 67.725 -1.171 18806
2122 1 19 . 1 1 17 17 THR CB C 17 67.664 67.664 67.912 -0.248 18806
2123 1 19 . 1 1 18 18 SER N N 18 119.883 119.883 115.151 4.732 18806
2124 1 19 . 1 1 18 18 SER HA H 18 3.871 3.871 4.439 -0.568 18806
2125 1 19 . 1 1 18 18 SER C C 18 177.038 177.038 175.824 1.214 18806
2126 1 19 . 1 1 18 18 SER CA C 18 61.906 61.906 60.885 1.021 18806
2127 1 19 . 1 1 18 18 SER CB C 18 61.877 61.877 62.701 -0.824 18806
2128 1 19 . 1 1 19 19 LYS N N 19 121.563 121.563 122.766 -1.203 18806
2129 1 19 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.853 -1.240 18806
2130 1 19 . 1 1 19 19 LYS C C 19 176.639 176.639 177.567 -0.928 18806
2131 1 19 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.353 1.134 18806
2132 1 19 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.281 -0.695 18806
2133 1 19 . 1 1 20 20 MET N N 20 118.908 118.908 119.532 -0.624 18806
2134 1 19 . 1 1 20 20 MET HA H 20 3.927 3.927 4.381 -0.454 18806
2135 1 19 . 1 1 20 20 MET C C 20 178.910 178.910 178.522 0.388 18806
2136 1 19 . 1 1 20 20 MET CA C 20 58.719 58.719 57.143 1.576 18806
2137 1 19 . 1 1 20 20 MET CB C 20 31.756 31.756 31.865 -0.109 18806
2138 1 19 . 1 1 21 21 ARG N N 21 118.164 118.164 118.170 -0.006 18806
2139 1 19 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.985 -0.080 18806
2140 1 19 . 1 1 21 21 ARG C C 21 179.107 179.107 178.794 0.313 18806
2141 1 19 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.583 -0.776 18806
2142 1 19 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.777 0.324 18806
2143 1 19 . 1 1 22 22 HIS N N 22 117.794 117.794 119.999 -2.205 18806
2144 1 19 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.360 -0.193 18806
2145 1 19 . 1 1 22 22 HIS C C 22 178.014 178.014 177.373 0.641 18806
2146 1 19 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.175 -0.263 18806
2147 1 19 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.723 -1.802 18806
2148 1 19 . 1 1 23 23 LEU N N 23 122.319 122.319 119.288 3.031 18806
2149 1 19 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.230 -0.446 18806
2150 1 19 . 1 1 23 23 LEU C C 23 179.021 179.021 179.584 -0.563 18806
2151 1 19 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.749 0.843 18806
2152 1 19 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.051 0.607 18806
2153 1 19 . 1 1 24 24 GLU N N 24 116.297 116.297 118.724 -2.427 18806
2154 1 19 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.131 -0.139 18806
2155 1 19 . 1 1 24 24 GLU C C 24 178.251 178.251 179.097 -0.846 18806
2156 1 19 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.138 -0.809 18806
2157 1 19 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.338 0.079 18806
2158 1 19 . 1 1 25 25 THR N N 25 108.890 108.890 109.489 -0.599 18806
2159 1 19 . 1 1 25 25 THR HA H 25 4.010 4.010 4.233 -0.223 18806
2160 1 19 . 1 1 25 25 THR C C 25 175.170 175.170 174.933 0.237 18806
2161 1 19 . 1 1 25 25 THR CA C 25 63.499 63.499 63.662 -0.163 18806
2162 1 19 . 1 1 25 25 THR CB C 25 69.177 69.177 68.028 1.149 18806
2163 1 19 . 1 1 26 26 HIS N N 26 118.044 118.044 120.247 -2.203 18806
2164 1 19 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.264 0.203 18806
2165 1 19 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.877 -3.616 18806
2166 1 19 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.801 -1.159 18806
2167 1 20 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.536 -0.389 18806
2168 1 20 . 1 1 3 3 PRO C C 3 176.083 176.083 175.821 0.262 18806
2169 1 20 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.211 1.204 18806
2170 1 20 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.345 -0.468 18806
2171 1 20 . 1 1 4 4 TYR N N 4 117.838 117.838 119.437 -1.599 18806
2172 1 20 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.773 -0.313 18806
2173 1 20 . 1 1 4 4 TYR C C 4 174.569 174.569 175.534 -0.965 18806
2174 1 20 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.077 -0.307 18806
2175 1 20 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.028 -0.598 18806
2176 1 20 . 1 1 5 5 GLN N N 5 123.036 123.036 122.587 0.449 18806
2177 1 20 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.914 -0.037 18806
2178 1 20 . 1 1 5 5 GLN C C 5 175.122 175.122 175.503 -0.381 18806
2179 1 20 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.511 -0.953 18806
2180 1 20 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.438 1.154 18806
2181 1 20 . 1 1 6 6 CYS N N 6 125.821 125.821 122.130 3.691 18806
2182 1 20 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.673 -0.396 18806
2183 1 20 . 1 1 6 6 CYS C C 6 176.578 176.578 175.727 0.851 18806
2184 1 20 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.853 1.392 18806
2185 1 20 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.033 1.245 18806
2186 1 20 . 1 1 7 7 ASP N N 7 129.841 129.841 129.600 0.241 18806
2187 1 20 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.390 -0.174 18806
2188 1 20 . 1 1 7 7 ASP C C 7 175.676 175.676 176.001 -0.325 18806
2189 1 20 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.538 -0.188 18806
2190 1 20 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.012 0.731 18806
2191 1 20 . 1 1 8 8 TYR N N 8 119.023 119.023 117.546 1.477 18806
2192 1 20 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.684 -0.444 18806
2193 1 20 . 1 1 8 8 TYR C C 8 176.440 176.440 176.993 -0.553 18806
2194 1 20 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.737 0.809 18806
2195 1 20 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.520 -0.460 18806
2196 1 20 . 1 1 9 9 CYS N N 9 115.815 115.815 117.767 -1.952 18806
2197 1 20 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.783 0.255 18806
2198 1 20 . 1 1 9 9 CYS C C 9 175.815 175.815 176.305 -0.490 18806
2199 1 20 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.303 -1.993 18806
2200 1 20 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.876 2.397 18806
2201 1 20 . 1 1 10 10 GLY N N 10 111.402 111.402 108.753 2.649 18806
2202 1 20 . 1 1 10 10 GLY C C 10 173.932 173.932 173.476 0.456 18806
2203 1 20 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.206 0.833 18806
2204 1 20 . 1 1 11 11 ARG N N 11 122.427 122.427 121.196 1.231 18806
2205 1 20 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.206 -0.278 18806
2206 1 20 . 1 1 11 11 ARG C C 11 174.220 174.220 175.140 -0.920 18806
2207 1 20 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.696 1.907 18806
2208 1 20 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.889 0.359 18806
2209 1 20 . 1 1 12 12 SER N N 12 115.605 115.605 120.386 -4.781 18806
2210 1 20 . 1 1 12 12 SER HA H 12 4.896 4.896 4.580 0.316 18806
2211 1 20 . 1 1 12 12 SER C C 12 172.775 172.775 173.827 -1.052 18806
2212 1 20 . 1 1 12 12 SER CA C 12 57.311 57.311 56.969 0.342 18806
2213 1 20 . 1 1 12 12 SER CB C 12 65.516 65.516 62.833 2.683 18806
2214 1 20 . 1 1 13 13 PHE N N 13 118.534 118.534 125.854 -7.320 18806
2215 1 20 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.620 -0.029 18806
2216 1 20 . 1 1 13 13 PHE C C 13 175.330 175.330 176.618 -1.288 18806
2217 1 20 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.647 -0.278 18806
2218 1 20 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.639 3.804 18806
2219 1 20 . 1 1 14 14 SER N N 14 114.545 114.545 118.686 -4.141 18806
2220 1 20 . 1 1 14 14 SER HA H 14 4.491 4.491 4.383 0.108 18806
2221 1 20 . 1 1 14 14 SER C C 14 173.113 173.113 174.106 -0.993 18806
2222 1 20 . 1 1 14 14 SER CA C 14 59.545 59.545 60.685 -1.140 18806
2223 1 20 . 1 1 14 14 SER CB C 14 64.037 64.037 63.604 0.433 18806
2224 1 20 . 1 1 15 15 ASP N N 15 117.860 117.860 118.972 -1.112 18806
2225 1 20 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.029 -0.325 18806
2226 1 20 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.478 -0.781 18806
2227 1 20 . 1 1 15 15 ASP CB C 15 42.344 42.344 44.077 -1.732 18806
2228 1 20 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.039 -0.483 18806
2229 1 20 . 1 1 16 16 PRO C C 16 178.801 178.801 177.417 1.384 18806
2230 1 20 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.314 0.063 18806
2231 1 20 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.489 0.079 18806
2232 1 20 . 1 1 17 17 THR N N 17 117.621 117.621 114.601 3.020 18806
2233 1 20 . 1 1 17 17 THR HA H 17 3.759 3.759 4.105 -0.346 18806
2234 1 20 . 1 1 17 17 THR C C 17 176.424 176.424 176.651 -0.227 18806
2235 1 20 . 1 1 17 17 THR CA C 17 66.554 66.554 65.576 0.978 18806
2236 1 20 . 1 1 17 17 THR CB C 17 67.664 67.664 68.366 -0.702 18806
2237 1 20 . 1 1 18 18 SER N N 18 119.883 119.883 117.019 2.864 18806
2238 1 20 . 1 1 18 18 SER HA H 18 3.871 3.871 4.212 -0.341 18806
2239 1 20 . 1 1 18 18 SER C C 18 177.038 177.038 176.136 0.902 18806
2240 1 20 . 1 1 18 18 SER CA C 18 61.906 61.906 61.065 0.841 18806
2241 1 20 . 1 1 18 18 SER CB C 18 61.877 61.877 62.523 -0.645 18806
2242 1 20 . 1 1 19 19 LYS N N 19 121.563 121.563 122.026 -0.463 18806
2243 1 20 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.338 -0.725 18806
2244 1 20 . 1 1 19 19 LYS C C 19 176.639 176.639 177.526 -0.887 18806
2245 1 20 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.456 1.031 18806
2246 1 20 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.988 -0.402 18806
2247 1 20 . 1 1 20 20 MET N N 20 118.908 118.908 119.334 -0.426 18806
2248 1 20 . 1 1 20 20 MET HA H 20 3.927 3.927 4.268 -0.341 18806
2249 1 20 . 1 1 20 20 MET C C 20 178.910 178.910 177.903 1.007 18806
2250 1 20 . 1 1 20 20 MET CA C 20 58.719 58.719 57.223 1.496 18806
2251 1 20 . 1 1 20 20 MET CB C 20 31.756 31.756 31.874 -0.118 18806
2252 1 20 . 1 1 21 21 ARG N N 21 118.164 118.164 120.053 -1.889 18806
2253 1 20 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.243 -0.338 18806
2254 1 20 . 1 1 21 21 ARG C C 21 179.107 179.107 178.303 0.804 18806
2255 1 20 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.475 -0.668 18806
2256 1 20 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.819 0.282 18806
2257 1 20 . 1 1 22 22 HIS N N 22 117.794 117.794 120.067 -2.273 18806
2258 1 20 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.163 0.004 18806
2259 1 20 . 1 1 22 22 HIS C C 22 178.014 178.014 176.687 1.327 18806
2260 1 20 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.570 -0.658 18806
2261 1 20 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.275 -1.354 18806
2262 1 20 . 1 1 23 23 LEU N N 23 122.319 122.319 116.727 5.592 18806
2263 1 20 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.202 -0.418 18806
2264 1 20 . 1 1 23 23 LEU C C 23 179.021 179.021 178.201 0.820 18806
2265 1 20 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.076 1.516 18806
2266 1 20 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.486 0.173 18806
2267 1 20 . 1 1 24 24 GLU N N 24 116.297 116.297 117.466 -1.169 18806
2268 1 20 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.119 -0.127 18806
2269 1 20 . 1 1 24 24 GLU C C 24 178.251 178.251 178.859 -0.608 18806
2270 1 20 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.028 -0.699 18806
2271 1 20 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.969 -0.552 18806
2272 1 20 . 1 1 25 25 THR N N 25 108.890 108.890 112.536 -3.646 18806
2273 1 20 . 1 1 25 25 THR HA H 25 4.010 4.010 4.162 -0.152 18806
2274 1 20 . 1 1 25 25 THR C C 25 175.170 175.170 175.558 -0.388 18806
2275 1 20 . 1 1 25 25 THR CA C 25 63.499 63.499 63.232 0.267 18806
2276 1 20 . 1 1 25 25 THR CB C 25 69.177 69.177 68.932 0.245 18806
2277 1 20 . 1 1 26 26 HIS N N 26 118.044 118.044 119.514 -1.470 18806
2278 1 20 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.307 0.160 18806
2279 1 20 . 1 1 26 26 HIS CA C 26 55.261 55.261 56.153 -0.892 18806
2280 1 20 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.326 -0.684 18806
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 22 3.644 0.552 3.687 18806
2 1 1 "Average Difference" HA 24 0.331 0.179 0.284 18806
3 1 1 "Average Difference" C 22 0.782 0.046 0.799 18806
4 1 1 "Average Difference" CA 24 1.249 -0.256 1.249 18806
5 1 1 "Average Difference" CB 23 1.313 -0.267 1.314 18806
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18806
7 1 2 "Average Difference" N 22 3.464 0.287 3.533 18806
8 1 2 "Average Difference" HA 24 0.362 0.209 0.302 18806
9 1 2 "Average Difference" C 22 0.753 0.003 0.771 18806
10 1 2 "Average Difference" CA 24 1.143 -0.130 1.160 18806
11 1 2 "Average Difference" CB 23 1.206 -0.228 1.211 18806
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18806
13 1 3 "Average Difference" N 22 3.144 0.869 3.092 18806
14 1 3 "Average Difference" HA 24 0.367 0.207 0.310 18806
15 1 3 "Average Difference" C 22 0.712 -0.017 0.728 18806
16 1 3 "Average Difference" CA 24 1.044 -0.115 1.060 18806
17 1 3 "Average Difference" CB 23 1.215 -0.205 1.225 18806
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18806
19 1 4 "Average Difference" N 22 3.541 1.095 3.447 18806
20 1 4 "Average Difference" HA 24 0.378 0.156 0.351 18806
21 1 4 "Average Difference" C 22 0.759 0.036 0.776 18806
22 1 4 "Average Difference" CA 24 1.340 -0.049 1.368 18806
23 1 4 "Average Difference" CB 23 1.272 -0.240 1.278 18806
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18806
25 1 5 "Average Difference" N 22 3.308 0.174 3.381 18806
26 1 5 "Average Difference" HA 24 0.381 0.265 0.280 18806
27 1 5 "Average Difference" C 22 0.676 0.052 0.690 18806
28 1 5 "Average Difference" CA 24 1.226 -0.176 1.239 18806
29 1 5 "Average Difference" CB 23 1.507 0.013 1.540 18806
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18806
31 1 6 "Average Difference" N 22 3.325 0.830 3.295 18806
32 1 6 "Average Difference" HA 24 0.377 0.199 0.328 18806
33 1 6 "Average Difference" C 22 0.744 0.047 0.760 18806
34 1 6 "Average Difference" CA 24 1.275 0.135 1.295 18806
35 1 6 "Average Difference" CB 23 1.343 -0.090 1.370 18806
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18806
37 1 7 "Average Difference" N 22 3.335 1.066 3.235 18806
38 1 7 "Average Difference" HA 24 0.375 0.233 0.300 18806
39 1 7 "Average Difference" C 22 0.722 0.055 0.737 18806
40 1 7 "Average Difference" CA 24 1.325 0.007 1.354 18806
41 1 7 "Average Difference" CB 23 1.212 -0.218 1.219 18806
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18806
43 1 8 "Average Difference" N 22 3.144 0.823 3.105 18806
44 1 8 "Average Difference" HA 24 0.381 0.194 0.335 18806
45 1 8 "Average Difference" C 22 0.809 -0.087 0.824 18806
46 1 8 "Average Difference" CA 24 1.264 0.036 1.291 18806
47 1 8 "Average Difference" CB 23 1.338 -0.071 1.367 18806
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18806
49 1 9 "Average Difference" N 22 3.518 0.870 3.489 18806
50 1 9 "Average Difference" HA 24 0.328 0.168 0.288 18806
51 1 9 "Average Difference" C 22 0.812 0.100 0.825 18806
52 1 9 "Average Difference" CA 24 1.012 -0.035 1.033 18806
53 1 9 "Average Difference" CB 23 1.376 -0.243 1.385 18806
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18806
55 1 10 "Average Difference" N 22 3.504 0.318 3.572 18806
56 1 10 "Average Difference" HA 24 0.372 0.196 0.322 18806
57 1 10 "Average Difference" C 22 0.737 0.033 0.754 18806
58 1 10 "Average Difference" CA 24 1.046 -0.062 1.066 18806
59 1 10 "Average Difference" CB 23 1.229 -0.150 1.247 18806
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18806
61 1 11 "Average Difference" N 22 3.266 0.579 3.290 18806
62 1 11 "Average Difference" HA 24 0.316 0.183 0.263 18806
63 1 11 "Average Difference" C 22 0.847 0.035 0.867 18806
64 1 11 "Average Difference" CA 24 1.137 0.014 1.161 18806
65 1 11 "Average Difference" CB 23 1.045 -0.121 1.062 18806
66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18806
67 1 12 "Average Difference" N 22 3.410 0.569 3.441 18806
68 1 12 "Average Difference" HA 24 0.347 0.152 0.319 18806
69 1 12 "Average Difference" C 22 0.789 -0.026 0.807 18806
70 1 12 "Average Difference" CA 24 1.183 0.072 1.206 18806
71 1 12 "Average Difference" CB 23 1.410 -0.326 1.402 18806
72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18806
73 1 13 "Average Difference" N 22 3.403 0.838 3.376 18806
74 1 13 "Average Difference" HA 24 0.430 0.190 0.394 18806
75 1 13 "Average Difference" C 22 0.773 -0.036 0.790 18806
76 1 13 "Average Difference" CA 24 1.316 -0.135 1.337 18806
77 1 13 "Average Difference" CB 23 1.303 -0.169 1.321 18806
78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18806
79 1 14 "Average Difference" N 22 2.968 0.428 3.007 18806
80 1 14 "Average Difference" HA 24 0.388 0.211 0.332 18806
81 1 14 "Average Difference" C 22 0.802 -0.056 0.819 18806
82 1 14 "Average Difference" CA 24 1.066 -0.262 1.056 18806
83 1 14 "Average Difference" CB 23 1.024 -0.123 1.040 18806
84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18806
85 1 15 "Average Difference" N 22 3.584 0.951 3.537 18806
86 1 15 "Average Difference" HA 24 0.425 0.220 0.371 18806
87 1 15 "Average Difference" C 22 0.752 -0.021 0.769 18806
88 1 15 "Average Difference" CA 24 1.183 -0.052 1.207 18806
89 1 15 "Average Difference" CB 23 1.444 -0.176 1.465 18806
90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18806
91 1 16 "Average Difference" N 22 3.015 0.625 3.019 18806
92 1 16 "Average Difference" HA 24 0.347 0.244 0.252 18806
93 1 16 "Average Difference" C 22 0.864 -0.193 0.862 18806
94 1 16 "Average Difference" CA 24 0.990 -0.242 0.981 18806
95 1 16 "Average Difference" CB 23 1.070 -0.008 1.094 18806
96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18806
97 1 17 "Average Difference" N 22 3.462 0.881 3.427 18806
98 1 17 "Average Difference" HA 24 0.392 0.198 0.345 18806
99 1 17 "Average Difference" C 22 0.782 -0.073 0.797 18806
100 1 17 "Average Difference" CA 24 1.254 0.025 1.280 18806
101 1 17 "Average Difference" CB 23 1.284 -0.153 1.303 18806
102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18806
103 1 18 "Average Difference" N 22 3.273 0.824 3.242 18806
104 1 18 "Average Difference" HA 24 0.373 0.202 0.320 18806
105 1 18 "Average Difference" C 22 0.828 0.025 0.847 18806
106 1 18 "Average Difference" CA 24 1.327 -0.071 1.354 18806
107 1 18 "Average Difference" CB 23 1.305 -0.308 1.297 18806
108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18806
109 1 19 "Average Difference" N 22 3.167 0.449 3.209 18806
110 1 19 "Average Difference" HA 24 0.437 0.231 0.379 18806
111 1 19 "Average Difference" C 22 0.641 0.018 0.656 18806
112 1 19 "Average Difference" CA 24 1.414 -0.092 1.441 18806
113 1 19 "Average Difference" CB 23 1.463 -0.196 1.483 18806
114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18806
115 1 20 "Average Difference" N 22 3.018 0.501 3.046 18806
116 1 20 "Average Difference" HA 24 0.334 0.181 0.287 18806
117 1 20 "Average Difference" C 22 0.840 0.057 0.857 18806
118 1 20 "Average Difference" CA 24 1.020 -0.172 1.027 18806
119 1 20 "Average Difference" CB 23 1.299 -0.255 1.302 18806
120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18806
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 18806
_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 3 3 PRO HA H 3 4.147 4.147 4.499 -0.352 18806
2 1 . 1 1 3 3 PRO C C 3 176.083 176.083 175.575 0.508 18806
3 1 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.261 1.154 18806
4 1 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.234 -0.357 18806
5 1 . 1 1 4 4 TYR N N 4 117.838 117.838 122.177 -4.339 18806
6 1 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.700 -0.240 18806
7 1 . 1 1 4 4 TYR C C 4 174.569 174.569 175.413 -0.844 18806
8 1 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.955 -0.185 18806
9 1 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.086 -0.656 18806
10 1 . 1 1 5 5 GLN N N 5 123.036 123.036 122.623 0.413 18806
11 1 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.833 0.044 18806
12 1 . 1 1 5 5 GLN C C 5 175.122 175.122 175.225 -0.103 18806
13 1 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.991 -0.433 18806
14 1 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.108 1.484 18806
15 1 . 1 1 6 6 CYS N N 6 125.821 125.821 123.893 1.928 18806
16 1 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.687 -0.410 18806
17 1 . 1 1 6 6 CYS C C 6 176.578 176.578 175.497 1.081 18806
18 1 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.409 0.836 18806
19 1 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.831 1.447 18806
20 1 . 1 1 7 7 ASP N N 7 129.841 129.841 129.280 0.561 18806
21 1 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.409 -0.193 18806
22 1 . 1 1 7 7 ASP C C 7 175.676 175.676 175.995 -0.319 18806
23 1 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.517 -0.167 18806
24 1 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.502 0.241 18806
25 1 . 1 1 8 8 TYR N N 8 119.023 119.023 116.290 2.733 18806
26 1 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.641 -0.401 18806
27 1 . 1 1 8 8 TYR C C 8 176.440 176.440 176.443 -0.003 18806
28 1 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.510 1.036 18806
29 1 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.655 -0.595 18806
30 1 . 1 1 9 9 CYS N N 9 115.815 115.815 117.375 -1.560 18806
31 1 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.813 0.225 18806
32 1 . 1 1 9 9 CYS C C 9 175.815 175.815 176.146 -0.331 18806
33 1 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.110 -1.800 18806
34 1 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.296 1.977 18806
35 1 . 1 1 10 10 GLY N N 10 111.402 111.402 109.098 2.304 18806
36 1 . 1 1 10 10 GLY C C 10 173.932 173.932 173.435 0.497 18806
37 1 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.357 0.682 18806
38 1 . 1 1 11 11 ARG N N 11 122.427 122.427 120.945 1.482 18806
39 1 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.283 -0.354 18806
40 1 . 1 1 11 11 ARG C C 11 174.220 174.220 174.744 -0.524 18806
41 1 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.917 2.685 18806
42 1 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.218 0.030 18806
43 1 . 1 1 12 12 SER N N 12 115.605 115.605 121.087 -5.482 18806
44 1 . 1 1 12 12 SER HA H 12 4.896 4.896 4.598 0.298 18806
45 1 . 1 1 12 12 SER C C 12 172.775 172.775 173.634 -0.859 18806
46 1 . 1 1 12 12 SER CA C 12 57.311 57.311 57.920 -0.609 18806
47 1 . 1 1 12 12 SER CB C 12 65.516 65.516 63.333 2.183 18806
48 1 . 1 1 13 13 PHE N N 13 118.534 118.534 125.709 -7.175 18806
49 1 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.668 -0.077 18806
50 1 . 1 1 13 13 PHE C C 13 175.330 175.330 176.428 -1.099 18806
51 1 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.288 0.082 18806
52 1 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.183 3.260 18806
53 1 . 1 1 14 14 SER N N 14 114.545 114.545 117.362 -2.817 18806
54 1 . 1 1 14 14 SER HA H 14 4.491 4.491 4.524 -0.033 18806
55 1 . 1 1 14 14 SER C C 14 173.113 173.113 173.618 -0.505 18806
56 1 . 1 1 14 14 SER CA C 14 59.545 59.545 59.046 0.499 18806
57 1 . 1 1 14 14 SER CB C 14 64.037 64.037 63.482 0.555 18806
58 1 . 1 1 15 15 ASP N N 15 117.860 117.860 121.133 -3.273 18806
59 1 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.105 -0.401 18806
60 1 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.685 0.012 18806
61 1 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.091 -0.747 18806
62 1 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.984 -0.428 18806
63 1 . 1 1 16 16 PRO C C 16 178.801 178.801 177.662 1.139 18806
64 1 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.005 -0.628 18806
65 1 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.795 -0.227 18806
66 1 . 1 1 17 17 THR N N 17 117.621 117.621 112.349 5.272 18806
67 1 . 1 1 17 17 THR HA H 17 3.759 3.759 4.122 -0.363 18806
68 1 . 1 1 17 17 THR C C 17 176.424 176.424 176.481 -0.057 18806
69 1 . 1 1 17 17 THR CA C 17 66.554 66.554 66.003 0.551 18806
70 1 . 1 1 17 17 THR CB C 17 67.664 67.664 68.452 -0.788 18806
71 1 . 1 1 18 18 SER N N 18 119.883 119.883 117.269 2.614 18806
72 1 . 1 1 18 18 SER HA H 18 3.871 3.871 4.270 -0.399 18806
73 1 . 1 1 18 18 SER C C 18 177.038 177.038 176.046 0.992 18806
74 1 . 1 1 18 18 SER CA C 18 61.906 61.906 61.458 0.448 18806
75 1 . 1 1 18 18 SER CB C 18 61.877 61.877 62.764 -0.887 18806
76 1 . 1 1 19 19 LYS N N 19 121.563 121.563 121.679 -0.116 18806
77 1 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.533 -0.920 18806
78 1 . 1 1 19 19 LYS C C 19 176.639 176.639 177.939 -1.300 18806
79 1 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.761 0.726 18806
80 1 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.172 -0.586 18806
81 1 . 1 1 20 20 MET N N 20 118.908 118.908 119.513 -0.605 18806
82 1 . 1 1 20 20 MET HA H 20 3.927 3.927 4.306 -0.379 18806
83 1 . 1 1 20 20 MET C C 20 178.910 178.910 177.974 0.936 18806
84 1 . 1 1 20 20 MET CA C 20 58.719 58.719 57.381 1.338 18806
85 1 . 1 1 20 20 MET CB C 20 31.756 31.756 32.266 -0.510 18806
86 1 . 1 1 21 21 ARG N N 21 118.164 118.164 119.097 -0.933 18806
87 1 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.048 -0.143 18806
88 1 . 1 1 21 21 ARG C C 21 179.107 179.107 178.579 0.528 18806
89 1 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.351 -0.545 18806
90 1 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.717 0.384 18806
91 1 . 1 1 22 22 HIS N N 22 117.794 117.794 119.861 -2.067 18806
92 1 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.271 -0.104 18806
93 1 . 1 1 22 22 HIS C C 22 178.014 178.014 177.257 0.757 18806
94 1 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.489 -0.577 18806
95 1 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.587 -1.666 18806
96 1 . 1 1 23 23 LEU N N 23 122.319 122.319 119.052 3.266 18806
97 1 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.247 -0.463 18806
98 1 . 1 1 23 23 LEU C C 23 179.021 179.021 178.949 0.072 18806
99 1 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.770 0.822 18806
100 1 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.644 0.014 18806
101 1 . 1 1 24 24 GLU N N 24 116.297 116.297 117.987 -1.690 18806
102 1 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.126 -0.135 18806
103 1 . 1 1 24 24 GLU C C 24 178.251 178.251 178.732 -0.481 18806
104 1 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.032 -0.703 18806
105 1 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.494 -0.077 18806
106 1 . 1 1 25 25 THR N N 25 108.890 108.890 113.575 -4.685 18806
107 1 . 1 1 25 25 THR HA H 25 4.010 4.010 4.179 -0.169 18806
108 1 . 1 1 25 25 THR C C 25 175.170 175.170 175.254 -0.084 18806
109 1 . 1 1 25 25 THR CA C 25 63.499 63.499 64.346 -0.847 18806
110 1 . 1 1 25 25 THR CB C 25 69.177 69.177 68.564 0.613 18806
111 1 . 1 1 26 26 HIS N N 26 118.044 118.044 118.760 -0.716 18806
112 1 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.392 0.075 18806
113 1 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.767 -2.506 18806
114 1 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.671 -1.029 18806
stop_
save_