data_17558
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17558
_Entry.PDB_ID 2LBG
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 17558
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.502 -0.189 17558
2 1 1 . 1 1 2 2 HIS C C 2 177.032 177.032 176.448 0.584 17558
3 1 1 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.392 2.962 17558
4 1 1 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.131 1.425 17558
5 1 1 . 1 1 3 3 MET N N 3 118.797 118.797 117.309 1.488 17558
6 1 1 . 1 1 3 3 MET HA H 3 4.116 4.116 4.325 -0.209 17558
7 1 1 . 1 1 3 3 MET C C 3 177.497 177.497 177.792 -0.295 17558
8 1 1 . 1 1 3 3 MET CA C 3 59.361 59.361 57.923 1.438 17558
9 1 1 . 1 1 3 3 MET CB C 3 33.826 33.826 31.521 2.305 17558
10 1 1 . 1 1 3 3 MET H H 3 8.055 8.055 8.135 -0.080 17558
11 1 1 . 1 1 4 4 ALA N N 4 120.454 120.454 122.047 -1.593 17558
12 1 1 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.178 -0.213 17558
13 1 1 . 1 1 4 4 ALA C C 4 178.892 178.892 179.734 -0.842 17558
14 1 1 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.932 1.119 17558
15 1 1 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.006 0.798 17558
16 1 1 . 1 1 4 4 ALA H H 4 8.279 8.279 7.674 0.605 17558
17 1 1 . 1 1 5 5 GLY N N 5 121.085 121.085 106.856 14.229 17558
18 1 1 . 1 1 5 5 GLY C C 5 174.212 174.212 175.713 -1.501 17558
19 1 1 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.257 1.713 17558
20 1 1 . 1 1 5 5 GLY H H 5 8.478 8.478 8.120 0.358 17558
21 1 1 . 1 1 6 6 ALA N N 6 123.200 123.200 124.038 -0.838 17558
22 1 1 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.178 0.067 17558
23 1 1 . 1 1 6 6 ALA C C 6 179.297 179.297 179.521 -0.224 17558
24 1 1 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.787 1.514 17558
25 1 1 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.436 1.031 17558
26 1 1 . 1 1 6 6 ALA H H 6 8.005 8.005 8.161 -0.156 17558
27 1 1 . 1 1 7 7 ALA N N 7 119.489 119.489 120.764 -1.275 17558
28 1 1 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.102 -0.239 17558
29 1 1 . 1 1 7 7 ALA C C 7 178.133 178.133 179.442 -1.309 17558
30 1 1 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.717 1.003 17558
31 1 1 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.374 0.411 17558
32 1 1 . 1 1 7 7 ALA H H 7 8.315 8.315 7.994 0.321 17558
33 1 1 . 1 1 8 8 ALA N N 8 118.612 118.612 121.288 -2.676 17558
34 1 1 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.051 -0.063 17558
35 1 1 . 1 1 8 8 ALA C C 8 178.857 178.857 179.496 -0.639 17558
36 1 1 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.904 1.185 17558
37 1 1 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.358 0.279 17558
38 1 1 . 1 1 8 8 ALA H H 8 8.294 8.294 7.960 0.334 17558
39 1 1 . 1 1 9 9 ALA N N 9 118.968 118.968 120.206 -1.238 17558
40 1 1 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.135 -0.274 17558
41 1 1 . 1 1 9 9 ALA C C 9 179.548 179.548 179.831 -0.283 17558
42 1 1 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.886 1.004 17558
43 1 1 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.514 0.472 17558
44 1 1 . 1 1 9 9 ALA H H 9 8.029 8.029 8.180 -0.151 17558
45 1 1 . 1 1 10 10 GLY N N 10 120.112 120.112 106.191 13.921 17558
46 1 1 . 1 1 10 10 GLY C C 10 175.031 175.031 175.783 -0.752 17558
47 1 1 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.354 1.342 17558
48 1 1 . 1 1 10 10 GLY H H 10 8.386 8.386 8.182 0.204 17558
49 1 1 . 1 1 11 11 ALA N N 11 123.234 123.234 125.043 -1.809 17558
50 1 1 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.187 -0.028 17558
51 1 1 . 1 1 11 11 ALA C C 11 179.909 179.909 179.788 0.121 17558
52 1 1 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.867 0.757 17558
53 1 1 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.497 -0.338 17558
54 1 1 . 1 1 11 11 ALA H H 11 8.392 8.392 8.111 0.281 17558
55 1 1 . 1 1 12 12 VAL N N 12 117.423 117.423 116.618 0.805 17558
56 1 1 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.745 -0.206 17558
57 1 1 . 1 1 12 12 VAL C C 12 176.877 176.877 177.706 -0.829 17558
58 1 1 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.415 2.268 17558
59 1 1 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.048 1.022 17558
60 1 1 . 1 1 12 12 VAL H H 12 7.932 7.932 7.757 0.175 17558
61 1 1 . 1 1 13 13 VAL N N 13 117.519 117.519 119.745 -2.226 17558
62 1 1 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.631 -0.132 17558
63 1 1 . 1 1 13 13 VAL C C 13 177.998 177.998 178.146 -0.148 17558
64 1 1 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.743 1.209 17558
65 1 1 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.876 1.340 17558
66 1 1 . 1 1 13 13 VAL H H 13 7.679 7.679 7.864 -0.185 17558
67 1 1 . 1 1 14 14 GLY N N 14 122.695 122.695 106.935 15.760 17558
68 1 1 . 1 1 14 14 GLY C C 14 175.640 175.640 176.220 -0.580 17558
69 1 1 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.248 0.245 17558
70 1 1 . 1 1 14 14 GLY H H 14 9.134 9.134 8.268 0.866 17558
71 1 1 . 1 1 15 15 GLY N N 15 128.047 128.047 110.753 17.294 17558
72 1 1 . 1 1 15 15 GLY C C 15 175.562 175.562 176.163 -0.601 17558
73 1 1 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
74 1 1 . 1 1 15 15 GLY H H 15 8.635 8.635 7.811 0.824 17558
75 1 1 . 1 1 16 16 LEU N N 16 121.900 121.900 120.294 1.606 17558
76 1 1 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.426 -0.330 17558
77 1 1 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
78 1 1 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.695 1.215 17558
79 1 1 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.339 17558
80 1 1 . 1 1 16 16 LEU H H 16 8.137 8.137 7.845 0.292 17558
81 1 1 . 1 1 17 17 GLY N N 17 122.360 122.360 107.406 14.954 17558
82 1 1 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
83 1 1 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.112 1.547 17558
84 1 1 . 1 1 17 17 GLY H H 17 8.412 8.412 8.726 -0.314 17558
85 1 1 . 1 1 18 18 GLY N N 18 126.401 126.401 109.072 17.329 17558
86 1 1 . 1 1 18 18 GLY C C 18 175.418 175.418 174.883 0.535 17558
87 1 1 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
88 1 1 . 1 1 18 18 GLY H H 18 9.719 9.719 7.984 1.735 17558
89 1 1 . 1 1 19 19 TYR N N 19 123.066 123.066 123.307 -0.241 17558
90 1 1 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
91 1 1 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
92 1 1 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
93 1 1 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.578 1.203 17558
94 1 1 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
95 1 1 . 1 1 20 20 MET N N 20 119.540 119.540 117.899 1.641 17558
96 1 1 . 1 1 20 20 MET HA H 20 3.980 3.980 3.678 0.302 17558
97 1 1 . 1 1 20 20 MET C C 20 178.549 178.549 178.259 0.290 17558
98 1 1 . 1 1 20 20 MET CA C 20 59.630 59.630 59.259 0.371 17558
99 1 1 . 1 1 20 20 MET CB C 20 32.807 32.807 31.791 1.016 17558
100 1 1 . 1 1 20 20 MET H H 20 8.367 8.367 7.764 0.603 17558
101 1 1 . 1 1 21 21 LEU N N 21 119.740 119.740 119.284 0.456 17558
102 1 1 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.144 -0.033 17558
103 1 1 . 1 1 21 21 LEU C C 21 178.592 178.592 179.770 -1.178 17558
104 1 1 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.343 1.448 17558
105 1 1 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.527 2.473 17558
106 1 1 . 1 1 21 21 LEU H H 21 8.329 8.329 7.962 0.367 17558
107 1 1 . 1 1 22 22 GLY N N 22 123.469 123.469 107.285 16.184 17558
108 1 1 . 1 1 22 22 GLY C C 22 174.857 174.857 176.347 -1.490 17558
109 1 1 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.072 0.622 17558
110 1 1 . 1 1 22 22 GLY H H 22 9.027 9.027 7.750 1.277 17558
111 1 1 . 1 1 23 23 SER N N 23 114.334 114.334 117.719 -3.385 17558
112 1 1 . 1 1 23 23 SER HA H 23 3.975 3.975 4.344 -0.369 17558
113 1 1 . 1 1 23 23 SER C C 23 175.751 175.751 176.604 -0.853 17558
114 1 1 . 1 1 23 23 SER CA C 23 60.879 60.879 61.301 -0.422 17558
115 1 1 . 1 1 23 23 SER CB C 23 63.977 63.977 63.341 0.636 17558
116 1 1 . 1 1 23 23 SER H H 23 7.893 7.893 8.623 -0.730 17558
117 1 1 . 1 1 24 24 ALA N N 24 123.192 123.192 125.503 -2.311 17558
118 1 1 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.107 0.068 17558
119 1 1 . 1 1 24 24 ALA C C 24 178.717 178.717 179.286 -0.569 17558
120 1 1 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.707 -0.094 17558
121 1 1 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.343 1.180 17558
122 1 1 . 1 1 24 24 ALA H H 24 7.579 7.579 8.546 -0.967 17558
123 1 1 . 1 1 25 25 MET N N 25 115.187 115.187 117.568 -2.381 17558
124 1 1 . 1 1 25 25 MET HA H 25 4.418 4.418 4.330 0.088 17558
125 1 1 . 1 1 25 25 MET C C 25 176.479 176.479 178.283 -1.804 17558
126 1 1 . 1 1 25 25 MET CA C 25 56.754 56.754 57.440 -0.686 17558
127 1 1 . 1 1 25 25 MET CB C 25 28.852 28.852 33.132 -4.280 17558
128 1 1 . 1 1 25 25 MET H H 25 7.905 7.905 7.852 0.053 17558
129 1 1 . 1 1 26 26 SER N N 26 124.236 124.236 114.551 9.685 17558
130 1 1 . 1 1 26 26 SER HA H 26 4.419 4.419 4.362 0.057 17558
131 1 1 . 1 1 26 26 SER C C 26 173.350 173.350 174.802 -1.452 17558
132 1 1 . 1 1 26 26 SER CA C 26 59.343 59.343 60.217 -0.874 17558
133 1 1 . 1 1 26 26 SER CB C 26 62.573 62.573 64.248 -1.675 17558
134 1 1 . 1 1 26 26 SER H H 26 7.710 7.710 7.712 -0.002 17558
135 1 2 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.648 -0.335 17558
136 1 2 . 1 1 2 2 HIS C C 2 177.032 177.032 176.566 0.466 17558
137 1 2 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.366 1.987 17558
138 1 2 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.054 0.502 17558
139 1 2 . 1 1 3 3 MET N N 3 118.797 118.797 117.327 1.470 17558
140 1 2 . 1 1 3 3 MET HA H 3 4.116 4.116 4.326 -0.210 17558
141 1 2 . 1 1 3 3 MET C C 3 177.497 177.497 177.502 -0.005 17558
142 1 2 . 1 1 3 3 MET CA C 3 59.361 59.361 57.675 1.686 17558
143 1 2 . 1 1 3 3 MET CB C 3 33.826 33.826 31.510 2.316 17558
144 1 2 . 1 1 3 3 MET H H 3 8.055 8.055 8.148 -0.093 17558
145 1 2 . 1 1 4 4 ALA N N 4 120.454 120.454 122.199 -1.745 17558
146 1 2 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.156 -0.191 17558
147 1 2 . 1 1 4 4 ALA C C 4 178.892 178.892 179.712 -0.820 17558
148 1 2 . 1 1 4 4 ALA CA C 4 56.051 56.051 55.030 1.021 17558
149 1 2 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.932 0.872 17558
150 1 2 . 1 1 4 4 ALA H H 4 8.279 8.279 7.637 0.642 17558
151 1 2 . 1 1 5 5 GLY N N 5 121.085 121.085 106.786 14.299 17558
152 1 2 . 1 1 5 5 GLY C C 5 174.212 174.212 175.756 -1.544 17558
153 1 2 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.222 1.748 17558
154 1 2 . 1 1 5 5 GLY H H 5 8.478 8.478 8.229 0.249 17558
155 1 2 . 1 1 6 6 ALA N N 6 123.200 123.200 124.064 -0.864 17558
156 1 2 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.189 0.056 17558
157 1 2 . 1 1 6 6 ALA C C 6 179.297 179.297 179.525 -0.228 17558
158 1 2 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.811 1.490 17558
159 1 2 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.444 1.023 17558
160 1 2 . 1 1 6 6 ALA H H 6 8.005 8.005 8.102 -0.097 17558
161 1 2 . 1 1 7 7 ALA N N 7 119.489 119.489 120.748 -1.259 17558
162 1 2 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.104 -0.241 17558
163 1 2 . 1 1 7 7 ALA C C 7 178.133 178.133 179.439 -1.306 17558
164 1 2 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.720 1.000 17558
165 1 2 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.375 0.410 17558
166 1 2 . 1 1 7 7 ALA H H 7 8.315 8.315 8.004 0.311 17558
167 1 2 . 1 1 8 8 ALA N N 8 118.612 118.612 121.309 -2.697 17558
168 1 2 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.050 -0.062 17558
169 1 2 . 1 1 8 8 ALA C C 8 178.857 178.857 179.501 -0.644 17558
170 1 2 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.905 1.184 17558
171 1 2 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.354 0.283 17558
172 1 2 . 1 1 8 8 ALA H H 8 8.294 8.294 7.924 0.370 17558
173 1 2 . 1 1 9 9 ALA N N 9 118.968 118.968 120.207 -1.239 17558
174 1 2 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.136 -0.275 17558
175 1 2 . 1 1 9 9 ALA C C 9 179.548 179.548 179.843 -0.295 17558
176 1 2 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.906 0.984 17558
177 1 2 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.517 0.469 17558
178 1 2 . 1 1 9 9 ALA H H 9 8.029 8.029 8.222 -0.193 17558
179 1 2 . 1 1 10 10 GLY N N 10 120.112 120.112 106.194 13.918 17558
180 1 2 . 1 1 10 10 GLY C C 10 175.031 175.031 175.793 -0.762 17558
181 1 2 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.344 1.352 17558
182 1 2 . 1 1 10 10 GLY H H 10 8.386 8.386 8.161 0.225 17558
183 1 2 . 1 1 11 11 ALA N N 11 123.234 123.234 125.067 -1.833 17558
184 1 2 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.186 -0.027 17558
185 1 2 . 1 1 11 11 ALA C C 11 179.909 179.909 179.793 0.116 17558
186 1 2 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.875 0.749 17558
187 1 2 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.500 -0.341 17558
188 1 2 . 1 1 11 11 ALA H H 11 8.392 8.392 8.123 0.269 17558
189 1 2 . 1 1 12 12 VAL N N 12 117.423 117.423 116.532 0.891 17558
190 1 2 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.700 -0.161 17558
191 1 2 . 1 1 12 12 VAL C C 12 176.877 176.877 177.672 -0.795 17558
192 1 2 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.306 2.377 17558
193 1 2 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.039 1.031 17558
194 1 2 . 1 1 12 12 VAL H H 12 7.932 7.932 7.761 0.171 17558
195 1 2 . 1 1 13 13 VAL N N 13 117.519 117.519 120.363 -2.844 17558
196 1 2 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.595 -0.096 17558
197 1 2 . 1 1 13 13 VAL C C 13 177.998 177.998 177.994 0.004 17558
198 1 2 . 1 1 13 13 VAL CA C 13 67.952 67.952 67.146 0.806 17558
199 1 2 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.393 0.823 17558
200 1 2 . 1 1 13 13 VAL H H 13 7.679 7.679 7.849 -0.170 17558
201 1 2 . 1 1 14 14 GLY N N 14 122.695 122.695 106.684 16.011 17558
202 1 2 . 1 1 14 14 GLY C C 14 175.640 175.640 176.186 -0.546 17558
203 1 2 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.231 0.262 17558
204 1 2 . 1 1 14 14 GLY H H 14 9.134 9.134 8.180 0.954 17558
205 1 2 . 1 1 15 15 GLY N N 15 128.047 128.047 110.758 17.289 17558
206 1 2 . 1 1 15 15 GLY C C 15 175.562 175.562 176.165 -0.603 17558
207 1 2 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.553 1.323 17558
208 1 2 . 1 1 15 15 GLY H H 15 8.635 8.635 7.810 0.825 17558
209 1 2 . 1 1 16 16 LEU N N 16 121.900 121.900 120.291 1.609 17558
210 1 2 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.426 -0.330 17558
211 1 2 . 1 1 16 16 LEU C C 16 179.090 179.090 179.019 0.071 17558
212 1 2 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.699 1.211 17558
213 1 2 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.206 1.337 17558
214 1 2 . 1 1 16 16 LEU H H 16 8.137 8.137 7.853 0.284 17558
215 1 2 . 1 1 17 17 GLY N N 17 122.360 122.360 107.401 14.959 17558
216 1 2 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
217 1 2 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.109 1.550 17558
218 1 2 . 1 1 17 17 GLY H H 17 8.412 8.412 8.728 -0.316 17558
219 1 2 . 1 1 18 18 GLY N N 18 126.401 126.401 109.076 17.325 17558
220 1 2 . 1 1 18 18 GLY C C 18 175.418 175.418 174.883 0.535 17558
221 1 2 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.474 1.752 17558
222 1 2 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
223 1 2 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
224 1 2 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.296 -0.203 17558
225 1 2 . 1 1 19 19 TYR C C 19 179.066 179.066 177.411 1.655 17558
226 1 2 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.132 3.548 17558
227 1 2 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.578 1.203 17558
228 1 2 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
229 1 2 . 1 1 20 20 MET N N 20 119.540 119.540 117.754 1.786 17558
230 1 2 . 1 1 20 20 MET HA H 20 3.980 3.980 3.675 0.305 17558
231 1 2 . 1 1 20 20 MET C C 20 178.549 178.549 178.278 0.271 17558
232 1 2 . 1 1 20 20 MET CA C 20 59.630 59.630 59.366 0.264 17558
233 1 2 . 1 1 20 20 MET CB C 20 32.807 32.807 31.709 1.098 17558
234 1 2 . 1 1 20 20 MET H H 20 8.367 8.367 7.740 0.627 17558
235 1 2 . 1 1 21 21 LEU N N 21 119.740 119.740 119.490 0.250 17558
236 1 2 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.076 0.035 17558
237 1 2 . 1 1 21 21 LEU C C 21 178.592 178.592 179.437 -0.845 17558
238 1 2 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.987 0.804 17558
239 1 2 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.188 1.812 17558
240 1 2 . 1 1 21 21 LEU H H 21 8.329 8.329 7.949 0.380 17558
241 1 2 . 1 1 22 22 GLY N N 22 123.469 123.469 106.635 16.834 17558
242 1 2 . 1 1 22 22 GLY C C 22 174.857 174.857 176.115 -1.258 17558
243 1 2 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.137 0.556 17558
244 1 2 . 1 1 22 22 GLY H H 22 9.027 9.027 7.692 1.335 17558
245 1 2 . 1 1 23 23 SER N N 23 114.334 114.334 117.592 -3.258 17558
246 1 2 . 1 1 23 23 SER HA H 23 3.975 3.975 4.329 -0.354 17558
247 1 2 . 1 1 23 23 SER C C 23 175.751 175.751 176.605 -0.854 17558
248 1 2 . 1 1 23 23 SER CA C 23 60.879 60.879 60.922 -0.043 17558
249 1 2 . 1 1 23 23 SER CB C 23 63.977 63.977 63.318 0.659 17558
250 1 2 . 1 1 23 23 SER H H 23 7.893 7.893 8.632 -0.739 17558
251 1 2 . 1 1 24 24 ALA N N 24 123.192 123.192 125.344 -2.152 17558
252 1 2 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.091 0.084 17558
253 1 2 . 1 1 24 24 ALA C C 24 178.717 178.717 179.025 -0.308 17558
254 1 2 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.711 -0.098 17558
255 1 2 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.353 1.170 17558
256 1 2 . 1 1 24 24 ALA H H 24 7.579 7.579 8.428 -0.849 17558
257 1 2 . 1 1 25 25 MET N N 25 115.187 115.187 116.217 -1.030 17558
258 1 2 . 1 1 25 25 MET HA H 25 4.418 4.418 4.370 0.048 17558
259 1 2 . 1 1 25 25 MET C C 25 176.479 176.479 178.546 -2.067 17558
260 1 2 . 1 1 25 25 MET CA C 25 56.754 56.754 57.916 -1.161 17558
261 1 2 . 1 1 25 25 MET CB C 25 28.852 28.852 33.285 -4.433 17558
262 1 2 . 1 1 25 25 MET H H 25 7.905 7.905 7.628 0.277 17558
263 1 2 . 1 1 26 26 SER N N 26 124.236 124.236 115.204 9.032 17558
264 1 2 . 1 1 26 26 SER HA H 26 4.419 4.419 4.319 0.100 17558
265 1 2 . 1 1 26 26 SER C C 26 173.350 173.350 174.522 -1.172 17558
266 1 2 . 1 1 26 26 SER CA C 26 59.343 59.343 60.123 -0.780 17558
267 1 2 . 1 1 26 26 SER CB C 26 62.573 62.573 63.561 -0.988 17558
268 1 2 . 1 1 26 26 SER H H 26 7.710 7.710 7.538 0.172 17558
269 1 3 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.735 -0.422 17558
270 1 3 . 1 1 2 2 HIS C C 2 177.032 177.032 176.579 0.453 17558
271 1 3 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.562 2.792 17558
272 1 3 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.498 1.058 17558
273 1 3 . 1 1 3 3 MET N N 3 118.797 118.797 117.508 1.289 17558
274 1 3 . 1 1 3 3 MET HA H 3 4.116 4.116 4.328 -0.212 17558
275 1 3 . 1 1 3 3 MET C C 3 177.497 177.497 177.718 -0.221 17558
276 1 3 . 1 1 3 3 MET CA C 3 59.361 59.361 57.916 1.445 17558
277 1 3 . 1 1 3 3 MET CB C 3 33.826 33.826 31.484 2.342 17558
278 1 3 . 1 1 3 3 MET H H 3 8.055 8.055 8.132 -0.077 17558
279 1 3 . 1 1 4 4 ALA N N 4 120.454 120.454 122.073 -1.619 17558
280 1 3 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.193 -0.228 17558
281 1 3 . 1 1 4 4 ALA C C 4 178.892 178.892 179.776 -0.884 17558
282 1 3 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.950 1.101 17558
283 1 3 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.015 0.789 17558
284 1 3 . 1 1 4 4 ALA H H 4 8.279 8.279 7.681 0.598 17558
285 1 3 . 1 1 5 5 GLY N N 5 121.085 121.085 106.934 14.151 17558
286 1 3 . 1 1 5 5 GLY C C 5 174.212 174.212 175.759 -1.547 17558
287 1 3 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.338 1.632 17558
288 1 3 . 1 1 5 5 GLY H H 5 8.478 8.478 8.213 0.265 17558
289 1 3 . 1 1 6 6 ALA N N 6 123.200 123.200 124.065 -0.865 17558
290 1 3 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.178 0.067 17558
291 1 3 . 1 1 6 6 ALA C C 6 179.297 179.297 179.525 -0.228 17558
292 1 3 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.791 1.510 17558
293 1 3 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.427 1.040 17558
294 1 3 . 1 1 6 6 ALA H H 6 8.005 8.005 8.200 -0.195 17558
295 1 3 . 1 1 7 7 ALA N N 7 119.489 119.489 120.770 -1.281 17558
296 1 3 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.106 -0.243 17558
297 1 3 . 1 1 7 7 ALA C C 7 178.133 178.133 179.450 -1.317 17558
298 1 3 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.724 0.996 17558
299 1 3 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.381 0.404 17558
300 1 3 . 1 1 7 7 ALA H H 7 8.315 8.315 8.009 0.306 17558
301 1 3 . 1 1 8 8 ALA N N 8 118.612 118.612 121.303 -2.691 17558
302 1 3 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.062 -0.074 17558
303 1 3 . 1 1 8 8 ALA C C 8 178.857 178.857 179.507 -0.650 17558
304 1 3 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.916 1.173 17558
305 1 3 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.377 0.260 17558
306 1 3 . 1 1 8 8 ALA H H 8 8.294 8.294 7.978 0.316 17558
307 1 3 . 1 1 9 9 ALA N N 9 118.968 118.968 120.220 -1.252 17558
308 1 3 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.143 -0.282 17558
309 1 3 . 1 1 9 9 ALA C C 9 179.548 179.548 179.835 -0.287 17558
310 1 3 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.895 0.995 17558
311 1 3 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.521 0.465 17558
312 1 3 . 1 1 9 9 ALA H H 9 8.029 8.029 8.198 -0.169 17558
313 1 3 . 1 1 10 10 GLY N N 10 120.112 120.112 106.192 13.920 17558
314 1 3 . 1 1 10 10 GLY C C 10 175.031 175.031 175.785 -0.754 17558
315 1 3 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.355 1.341 17558
316 1 3 . 1 1 10 10 GLY H H 10 8.386 8.386 8.187 0.199 17558
317 1 3 . 1 1 11 11 ALA N N 11 123.234 123.234 125.173 -1.939 17558
318 1 3 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.185 -0.026 17558
319 1 3 . 1 1 11 11 ALA C C 11 179.909 179.909 179.737 0.172 17558
320 1 3 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.778 0.846 17558
321 1 3 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.422 -0.265 17558
322 1 3 . 1 1 11 11 ALA H H 11 8.392 8.392 8.081 0.311 17558
323 1 3 . 1 1 12 12 VAL N N 12 117.423 117.423 115.924 1.499 17558
324 1 3 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.671 -0.132 17558
325 1 3 . 1 1 12 12 VAL C C 12 176.877 176.877 177.837 -0.960 17558
326 1 3 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.956 1.727 17558
327 1 3 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.444 0.626 17558
328 1 3 . 1 1 12 12 VAL H H 12 7.932 7.932 7.728 0.204 17558
329 1 3 . 1 1 13 13 VAL N N 13 117.519 117.519 120.151 -2.632 17558
330 1 3 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.714 -0.215 17558
331 1 3 . 1 1 13 13 VAL C C 13 177.998 177.998 178.235 -0.237 17558
332 1 3 . 1 1 13 13 VAL CA C 13 67.952 67.952 65.315 2.637 17558
333 1 3 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.653 1.563 17558
334 1 3 . 1 1 13 13 VAL H H 13 7.679 7.679 7.862 -0.183 17558
335 1 3 . 1 1 14 14 GLY N N 14 122.695 122.695 106.945 15.750 17558
336 1 3 . 1 1 14 14 GLY C C 14 175.640 175.640 176.307 -0.667 17558
337 1 3 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.291 0.202 17558
338 1 3 . 1 1 14 14 GLY H H 14 9.134 9.134 8.241 0.893 17558
339 1 3 . 1 1 15 15 GLY N N 15 128.047 128.047 110.758 17.289 17558
340 1 3 . 1 1 15 15 GLY C C 15 175.562 175.562 176.165 -0.603 17558
341 1 3 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.553 1.323 17558
342 1 3 . 1 1 15 15 GLY H H 15 8.635 8.635 7.812 0.823 17558
343 1 3 . 1 1 16 16 LEU N N 16 121.900 121.900 120.294 1.606 17558
344 1 3 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.426 -0.330 17558
345 1 3 . 1 1 16 16 LEU C C 16 179.090 179.090 179.019 0.071 17558
346 1 3 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.696 1.214 17558
347 1 3 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.206 1.337 17558
348 1 3 . 1 1 16 16 LEU H H 16 8.137 8.137 7.844 0.293 17558
349 1 3 . 1 1 17 17 GLY N N 17 122.360 122.360 107.400 14.960 17558
350 1 3 . 1 1 17 17 GLY C C 17 175.280 175.280 175.889 -0.609 17558
351 1 3 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.108 1.551 17558
352 1 3 . 1 1 17 17 GLY H H 17 8.412 8.412 8.726 -0.314 17558
353 1 3 . 1 1 18 18 GLY N N 18 126.401 126.401 109.069 17.332 17558
354 1 3 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
355 1 3 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.470 1.755 17558
356 1 3 . 1 1 18 18 GLY H H 18 9.719 9.719 7.983 1.736 17558
357 1 3 . 1 1 19 19 TYR N N 19 123.066 123.066 123.304 -0.238 17558
358 1 3 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.296 -0.203 17558
359 1 3 . 1 1 19 19 TYR C C 19 179.066 179.066 177.408 1.658 17558
360 1 3 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.127 3.553 17558
361 1 3 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.580 1.201 17558
362 1 3 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
363 1 3 . 1 1 20 20 MET N N 20 119.540 119.540 117.909 1.631 17558
364 1 3 . 1 1 20 20 MET HA H 20 3.980 3.980 3.678 0.302 17558
365 1 3 . 1 1 20 20 MET C C 20 178.549 178.549 178.257 0.292 17558
366 1 3 . 1 1 20 20 MET CA C 20 59.630 59.630 59.258 0.372 17558
367 1 3 . 1 1 20 20 MET CB C 20 32.807 32.807 31.789 1.018 17558
368 1 3 . 1 1 20 20 MET H H 20 8.367 8.367 7.764 0.603 17558
369 1 3 . 1 1 21 21 LEU N N 21 119.740 119.740 119.285 0.455 17558
370 1 3 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.145 -0.034 17558
371 1 3 . 1 1 21 21 LEU C C 21 178.592 178.592 179.771 -1.179 17558
372 1 3 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.310 1.481 17558
373 1 3 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.508 2.493 17558
374 1 3 . 1 1 21 21 LEU H H 21 8.329 8.329 7.961 0.368 17558
375 1 3 . 1 1 22 22 GLY N N 22 123.469 123.469 107.390 16.079 17558
376 1 3 . 1 1 22 22 GLY C C 22 174.857 174.857 176.430 -1.573 17558
377 1 3 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.142 0.551 17558
378 1 3 . 1 1 22 22 GLY H H 22 9.027 9.027 7.772 1.255 17558
379 1 3 . 1 1 23 23 SER N N 23 114.334 114.334 117.785 -3.451 17558
380 1 3 . 1 1 23 23 SER HA H 23 3.975 3.975 4.357 -0.382 17558
381 1 3 . 1 1 23 23 SER C C 23 175.751 175.751 176.628 -0.877 17558
382 1 3 . 1 1 23 23 SER CA C 23 60.879 60.879 61.365 -0.486 17558
383 1 3 . 1 1 23 23 SER CB C 23 63.977 63.977 63.236 0.741 17558
384 1 3 . 1 1 23 23 SER H H 23 7.893 7.893 8.606 -0.713 17558
385 1 3 . 1 1 24 24 ALA N N 24 123.192 123.192 125.393 -2.201 17558
386 1 3 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.105 0.070 17558
387 1 3 . 1 1 24 24 ALA C C 24 178.717 178.717 179.051 -0.334 17558
388 1 3 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.670 -0.057 17558
389 1 3 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.296 1.227 17558
390 1 3 . 1 1 24 24 ALA H H 24 7.579 7.579 8.403 -0.824 17558
391 1 3 . 1 1 25 25 MET N N 25 115.187 115.187 116.155 -0.968 17558
392 1 3 . 1 1 25 25 MET HA H 25 4.418 4.418 4.360 0.058 17558
393 1 3 . 1 1 25 25 MET C C 25 176.479 176.479 178.001 -1.522 17558
394 1 3 . 1 1 25 25 MET CA C 25 56.754 56.754 57.899 -1.145 17558
395 1 3 . 1 1 25 25 MET CB C 25 28.852 28.852 33.349 -4.497 17558
396 1 3 . 1 1 25 25 MET H H 25 7.905 7.905 7.600 0.305 17558
397 1 3 . 1 1 26 26 SER N N 26 124.236 124.236 114.672 9.564 17558
398 1 3 . 1 1 26 26 SER HA H 26 4.419 4.419 4.307 0.112 17558
399 1 3 . 1 1 26 26 SER C C 26 173.350 173.350 174.570 -1.220 17558
400 1 3 . 1 1 26 26 SER CA C 26 59.343 59.343 59.788 -0.445 17558
401 1 3 . 1 1 26 26 SER CB C 26 62.573 62.573 63.673 -1.100 17558
402 1 3 . 1 1 26 26 SER H H 26 7.710 7.710 7.514 0.196 17558
403 1 4 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.633 -0.320 17558
404 1 4 . 1 1 2 2 HIS C C 2 177.032 177.032 176.459 0.573 17558
405 1 4 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.308 2.045 17558
406 1 4 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.099 0.457 17558
407 1 4 . 1 1 3 3 MET N N 3 118.797 118.797 116.962 1.835 17558
408 1 4 . 1 1 3 3 MET HA H 3 4.116 4.116 4.274 -0.159 17558
409 1 4 . 1 1 3 3 MET C C 3 177.497 177.497 177.533 -0.036 17558
410 1 4 . 1 1 3 3 MET CA C 3 59.361 59.361 57.716 1.645 17558
411 1 4 . 1 1 3 3 MET CB C 3 33.826 33.826 31.655 2.171 17558
412 1 4 . 1 1 3 3 MET H H 3 8.055 8.055 8.223 -0.168 17558
413 1 4 . 1 1 4 4 ALA N N 4 120.454 120.454 121.982 -1.528 17558
414 1 4 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.142 -0.177 17558
415 1 4 . 1 1 4 4 ALA C C 4 178.892 178.892 179.668 -0.776 17558
416 1 4 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.886 1.165 17558
417 1 4 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.971 0.833 17558
418 1 4 . 1 1 4 4 ALA H H 4 8.279 8.279 7.617 0.662 17558
419 1 4 . 1 1 5 5 GLY N N 5 121.085 121.085 106.726 14.359 17558
420 1 4 . 1 1 5 5 GLY C C 5 174.212 174.212 175.555 -1.343 17558
421 1 4 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.119 1.851 17558
422 1 4 . 1 1 5 5 GLY H H 5 8.478 8.478 7.981 0.497 17558
423 1 4 . 1 1 6 6 ALA N N 6 123.200 123.200 123.812 -0.612 17558
424 1 4 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.096 0.149 17558
425 1 4 . 1 1 6 6 ALA C C 6 179.297 179.297 179.461 -0.164 17558
426 1 4 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.697 1.604 17558
427 1 4 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.360 1.107 17558
428 1 4 . 1 1 6 6 ALA H H 6 8.005 8.005 7.862 0.143 17558
429 1 4 . 1 1 7 7 ALA N N 7 119.489 119.489 120.703 -1.214 17558
430 1 4 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.077 -0.214 17558
431 1 4 . 1 1 7 7 ALA C C 7 178.133 178.133 179.416 -1.283 17558
432 1 4 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.692 1.028 17558
433 1 4 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.340 0.445 17558
434 1 4 . 1 1 7 7 ALA H H 7 8.315 8.315 7.923 0.392 17558
435 1 4 . 1 1 8 8 ALA N N 8 118.612 118.612 121.259 -2.647 17558
436 1 4 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.034 -0.046 17558
437 1 4 . 1 1 8 8 ALA C C 8 178.857 178.857 179.480 -0.623 17558
438 1 4 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.883 1.206 17558
439 1 4 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.336 0.301 17558
440 1 4 . 1 1 8 8 ALA H H 8 8.294 8.294 7.916 0.378 17558
441 1 4 . 1 1 9 9 ALA N N 9 118.968 118.968 120.184 -1.216 17558
442 1 4 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.126 -0.265 17558
443 1 4 . 1 1 9 9 ALA C C 9 179.548 179.548 179.822 -0.274 17558
444 1 4 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.874 1.016 17558
445 1 4 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.502 0.484 17558
446 1 4 . 1 1 9 9 ALA H H 9 8.029 8.029 8.152 -0.123 17558
447 1 4 . 1 1 10 10 GLY N N 10 120.112 120.112 106.175 13.937 17558
448 1 4 . 1 1 10 10 GLY C C 10 175.031 175.031 175.776 -0.745 17558
449 1 4 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.343 1.353 17558
450 1 4 . 1 1 10 10 GLY H H 10 8.386 8.386 8.164 0.222 17558
451 1 4 . 1 1 11 11 ALA N N 11 123.234 123.234 125.038 -1.804 17558
452 1 4 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.180 -0.021 17558
453 1 4 . 1 1 11 11 ALA C C 11 179.909 179.909 179.782 0.127 17558
454 1 4 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.861 0.763 17558
455 1 4 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.488 -0.329 17558
456 1 4 . 1 1 11 11 ALA H H 11 8.392 8.392 8.099 0.293 17558
457 1 4 . 1 1 12 12 VAL N N 12 117.423 117.423 116.534 0.889 17558
458 1 4 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.699 -0.160 17558
459 1 4 . 1 1 12 12 VAL C C 12 176.877 176.877 177.623 -0.746 17558
460 1 4 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.310 2.373 17558
461 1 4 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.047 1.023 17558
462 1 4 . 1 1 12 12 VAL H H 12 7.932 7.932 7.738 0.194 17558
463 1 4 . 1 1 13 13 VAL N N 13 117.519 117.519 120.200 -2.681 17558
464 1 4 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.583 -0.084 17558
465 1 4 . 1 1 13 13 VAL C C 13 177.998 177.998 178.010 -0.012 17558
466 1 4 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.636 1.316 17558
467 1 4 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.286 0.930 17558
468 1 4 . 1 1 13 13 VAL H H 13 7.679 7.679 7.836 -0.157 17558
469 1 4 . 1 1 14 14 GLY N N 14 122.695 122.695 106.720 15.975 17558
470 1 4 . 1 1 14 14 GLY C C 14 175.640 175.640 176.157 -0.517 17558
471 1 4 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.225 0.268 17558
472 1 4 . 1 1 14 14 GLY H H 14 9.134 9.134 8.187 0.947 17558
473 1 4 . 1 1 15 15 GLY N N 15 128.047 128.047 110.754 17.293 17558
474 1 4 . 1 1 15 15 GLY C C 15 175.562 175.562 176.163 -0.601 17558
475 1 4 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
476 1 4 . 1 1 15 15 GLY H H 15 8.635 8.635 7.809 0.826 17558
477 1 4 . 1 1 16 16 LEU N N 16 121.900 121.900 120.291 1.609 17558
478 1 4 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
479 1 4 . 1 1 16 16 LEU C C 16 179.090 179.090 179.017 0.073 17558
480 1 4 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.695 1.215 17558
481 1 4 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
482 1 4 . 1 1 16 16 LEU H H 16 8.137 8.137 7.843 0.294 17558
483 1 4 . 1 1 17 17 GLY N N 17 122.360 122.360 107.401 14.959 17558
484 1 4 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
485 1 4 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.108 1.551 17558
486 1 4 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
487 1 4 . 1 1 18 18 GLY N N 18 126.401 126.401 109.074 17.327 17558
488 1 4 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
489 1 4 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.472 1.753 17558
490 1 4 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
491 1 4 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
492 1 4 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
493 1 4 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
494 1 4 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.132 3.548 17558
495 1 4 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
496 1 4 . 1 1 19 19 TYR H H 19 8.690 8.690 7.714 0.976 17558
497 1 4 . 1 1 20 20 MET N N 20 119.540 119.540 117.890 1.650 17558
498 1 4 . 1 1 20 20 MET HA H 20 3.980 3.980 3.664 0.316 17558
499 1 4 . 1 1 20 20 MET C C 20 178.549 178.549 178.358 0.191 17558
500 1 4 . 1 1 20 20 MET CA C 20 59.630 59.630 59.350 0.280 17558
501 1 4 . 1 1 20 20 MET CB C 20 32.807 32.807 31.676 1.131 17558
502 1 4 . 1 1 20 20 MET H H 20 8.367 8.367 7.818 0.549 17558
503 1 4 . 1 1 21 21 LEU N N 21 119.740 119.740 119.464 0.276 17558
504 1 4 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.058 0.053 17558
505 1 4 . 1 1 21 21 LEU C C 21 178.592 178.592 179.403 -0.811 17558
506 1 4 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.206 0.585 17558
507 1 4 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.396 1.604 17558
508 1 4 . 1 1 21 21 LEU H H 21 8.329 8.329 7.949 0.380 17558
509 1 4 . 1 1 22 22 GLY N N 22 123.469 123.469 107.367 16.102 17558
510 1 4 . 1 1 22 22 GLY C C 22 174.857 174.857 176.453 -1.596 17558
511 1 4 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.232 0.461 17558
512 1 4 . 1 1 22 22 GLY H H 22 9.027 9.027 7.704 1.323 17558
513 1 4 . 1 1 23 23 SER N N 23 114.334 114.334 117.685 -3.351 17558
514 1 4 . 1 1 23 23 SER HA H 23 3.975 3.975 4.404 -0.429 17558
515 1 4 . 1 1 23 23 SER C C 23 175.751 175.751 176.560 -0.809 17558
516 1 4 . 1 1 23 23 SER CA C 23 60.879 60.879 60.869 0.010 17558
517 1 4 . 1 1 23 23 SER CB C 23 63.977 63.977 63.004 0.973 17558
518 1 4 . 1 1 23 23 SER H H 23 7.893 7.893 8.623 -0.730 17558
519 1 4 . 1 1 24 24 ALA N N 24 123.192 123.192 124.405 -1.213 17558
520 1 4 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.129 0.046 17558
521 1 4 . 1 1 24 24 ALA C C 24 178.717 178.717 179.388 -0.671 17558
522 1 4 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.851 -0.238 17558
523 1 4 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.397 1.126 17558
524 1 4 . 1 1 24 24 ALA H H 24 7.579 7.579 8.449 -0.870 17558
525 1 4 . 1 1 25 25 MET N N 25 115.187 115.187 117.653 -2.466 17558
526 1 4 . 1 1 25 25 MET HA H 25 4.418 4.418 4.316 0.102 17558
527 1 4 . 1 1 25 25 MET C C 25 176.479 176.479 178.301 -1.822 17558
528 1 4 . 1 1 25 25 MET CA C 25 56.754 56.754 57.516 -0.761 17558
529 1 4 . 1 1 25 25 MET CB C 25 28.852 28.852 33.200 -4.348 17558
530 1 4 . 1 1 25 25 MET H H 25 7.905 7.905 7.855 0.050 17558
531 1 4 . 1 1 26 26 SER N N 26 124.236 124.236 114.544 9.692 17558
532 1 4 . 1 1 26 26 SER HA H 26 4.419 4.419 4.372 0.047 17558
533 1 4 . 1 1 26 26 SER C C 26 173.350 173.350 175.291 -1.941 17558
534 1 4 . 1 1 26 26 SER CA C 26 59.343 59.343 60.269 -0.926 17558
535 1 4 . 1 1 26 26 SER CB C 26 62.573 62.573 63.993 -1.420 17558
536 1 4 . 1 1 26 26 SER H H 26 7.710 7.710 7.612 0.098 17558
537 1 5 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.584 -0.271 17558
538 1 5 . 1 1 2 2 HIS C C 2 177.032 177.032 176.246 0.786 17558
539 1 5 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.531 1.822 17558
540 1 5 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.246 0.310 17558
541 1 5 . 1 1 3 3 MET N N 3 118.797 118.797 116.964 1.833 17558
542 1 5 . 1 1 3 3 MET HA H 3 4.116 4.116 4.267 -0.151 17558
543 1 5 . 1 1 3 3 MET C C 3 177.497 177.497 177.523 -0.026 17558
544 1 5 . 1 1 3 3 MET CA C 3 59.361 59.361 57.687 1.674 17558
545 1 5 . 1 1 3 3 MET CB C 3 33.826 33.826 31.673 2.153 17558
546 1 5 . 1 1 3 3 MET H H 3 8.055 8.055 8.140 -0.085 17558
547 1 5 . 1 1 4 4 ALA N N 4 120.454 120.454 121.986 -1.532 17558
548 1 5 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.142 -0.177 17558
549 1 5 . 1 1 4 4 ALA C C 4 178.892 178.892 179.667 -0.775 17558
550 1 5 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.884 1.167 17558
551 1 5 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.983 0.821 17558
552 1 5 . 1 1 4 4 ALA H H 4 8.279 8.279 7.621 0.658 17558
553 1 5 . 1 1 5 5 GLY N N 5 121.085 121.085 106.727 14.358 17558
554 1 5 . 1 1 5 5 GLY C C 5 174.212 174.212 175.551 -1.339 17558
555 1 5 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.129 1.841 17558
556 1 5 . 1 1 5 5 GLY H H 5 8.478 8.478 7.988 0.490 17558
557 1 5 . 1 1 6 6 ALA N N 6 123.200 123.200 123.795 -0.595 17558
558 1 5 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.079 0.166 17558
559 1 5 . 1 1 6 6 ALA C C 6 179.297 179.297 179.449 -0.152 17558
560 1 5 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.676 1.625 17558
561 1 5 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.330 1.137 17558
562 1 5 . 1 1 6 6 ALA H H 6 8.005 8.005 7.837 0.168 17558
563 1 5 . 1 1 7 7 ALA N N 7 119.489 119.489 120.694 -1.205 17558
564 1 5 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.073 -0.210 17558
565 1 5 . 1 1 7 7 ALA C C 7 178.133 178.133 179.413 -1.280 17558
566 1 5 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.687 1.033 17558
567 1 5 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.338 0.447 17558
568 1 5 . 1 1 7 7 ALA H H 7 8.315 8.315 7.917 0.398 17558
569 1 5 . 1 1 8 8 ALA N N 8 118.612 118.612 121.257 -2.645 17558
570 1 5 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.034 -0.046 17558
571 1 5 . 1 1 8 8 ALA C C 8 178.857 178.857 179.480 -0.623 17558
572 1 5 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.883 1.206 17558
573 1 5 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.337 0.300 17558
574 1 5 . 1 1 8 8 ALA H H 8 8.294 8.294 7.916 0.378 17558
575 1 5 . 1 1 9 9 ALA N N 9 118.968 118.968 120.186 -1.218 17558
576 1 5 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.126 -0.265 17558
577 1 5 . 1 1 9 9 ALA C C 9 179.548 179.548 179.821 -0.273 17558
578 1 5 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.872 1.018 17558
579 1 5 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.501 0.485 17558
580 1 5 . 1 1 9 9 ALA H H 9 8.029 8.029 8.148 -0.119 17558
581 1 5 . 1 1 10 10 GLY N N 10 120.112 120.112 106.176 13.936 17558
582 1 5 . 1 1 10 10 GLY C C 10 175.031 175.031 175.774 -0.743 17558
583 1 5 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.344 1.352 17558
584 1 5 . 1 1 10 10 GLY H H 10 8.386 8.386 8.163 0.223 17558
585 1 5 . 1 1 11 11 ALA N N 11 123.234 123.234 124.929 -1.695 17558
586 1 5 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.208 -0.049 17558
587 1 5 . 1 1 11 11 ALA C C 11 179.909 179.909 179.842 0.067 17558
588 1 5 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.936 0.688 17558
589 1 5 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.454 -0.296 17558
590 1 5 . 1 1 11 11 ALA H H 11 8.392 8.392 8.127 0.265 17558
591 1 5 . 1 1 12 12 VAL N N 12 117.423 117.423 116.144 1.279 17558
592 1 5 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.705 -0.166 17558
593 1 5 . 1 1 12 12 VAL C C 12 176.877 176.877 177.723 -0.846 17558
594 1 5 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.836 1.847 17558
595 1 5 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.687 1.383 17558
596 1 5 . 1 1 12 12 VAL H H 12 7.932 7.932 7.797 0.135 17558
597 1 5 . 1 1 13 13 VAL N N 13 117.519 117.519 120.427 -2.908 17558
598 1 5 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.613 -0.114 17558
599 1 5 . 1 1 13 13 VAL C C 13 177.998 177.998 178.080 -0.082 17558
600 1 5 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.667 1.285 17558
601 1 5 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.200 1.016 17558
602 1 5 . 1 1 13 13 VAL H H 13 7.679 7.679 7.895 -0.216 17558
603 1 5 . 1 1 14 14 GLY N N 14 122.695 122.695 106.703 15.992 17558
604 1 5 . 1 1 14 14 GLY C C 14 175.640 175.640 176.164 -0.524 17558
605 1 5 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.225 0.268 17558
606 1 5 . 1 1 14 14 GLY H H 14 9.134 9.134 8.181 0.953 17558
607 1 5 . 1 1 15 15 GLY N N 15 128.047 128.047 110.753 17.294 17558
608 1 5 . 1 1 15 15 GLY C C 15 175.562 175.562 176.162 -0.600 17558
609 1 5 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
610 1 5 . 1 1 15 15 GLY H H 15 8.635 8.635 7.807 0.828 17558
611 1 5 . 1 1 16 16 LEU N N 16 121.900 121.900 120.287 1.613 17558
612 1 5 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.426 -0.330 17558
613 1 5 . 1 1 16 16 LEU C C 16 179.090 179.090 179.016 0.074 17558
614 1 5 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
615 1 5 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
616 1 5 . 1 1 16 16 LEU H H 16 8.137 8.137 7.845 0.292 17558
617 1 5 . 1 1 17 17 GLY N N 17 122.360 122.360 107.401 14.959 17558
618 1 5 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
619 1 5 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.107 1.552 17558
620 1 5 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
621 1 5 . 1 1 18 18 GLY N N 18 126.401 126.401 109.073 17.328 17558
622 1 5 . 1 1 18 18 GLY C C 18 175.418 175.418 174.880 0.538 17558
623 1 5 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.468 1.757 17558
624 1 5 . 1 1 18 18 GLY H H 18 9.719 9.719 7.983 1.736 17558
625 1 5 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
626 1 5 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
627 1 5 . 1 1 19 19 TYR C C 19 179.066 179.066 177.408 1.658 17558
628 1 5 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
629 1 5 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.577 1.204 17558
630 1 5 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
631 1 5 . 1 1 20 20 MET N N 20 119.540 119.540 117.901 1.639 17558
632 1 5 . 1 1 20 20 MET HA H 20 3.980 3.980 3.678 0.302 17558
633 1 5 . 1 1 20 20 MET C C 20 178.549 178.549 178.271 0.278 17558
634 1 5 . 1 1 20 20 MET CA C 20 59.630 59.630 59.266 0.364 17558
635 1 5 . 1 1 20 20 MET CB C 20 32.807 32.807 31.788 1.019 17558
636 1 5 . 1 1 20 20 MET H H 20 8.367 8.367 7.764 0.603 17558
637 1 5 . 1 1 21 21 LEU N N 21 119.740 119.740 119.275 0.465 17558
638 1 5 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.137 -0.026 17558
639 1 5 . 1 1 21 21 LEU C C 21 178.592 178.592 179.757 -1.165 17558
640 1 5 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.550 1.241 17558
641 1 5 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.648 2.352 17558
642 1 5 . 1 1 21 21 LEU H H 21 8.329 8.329 7.960 0.369 17558
643 1 5 . 1 1 22 22 GLY N N 22 123.469 123.469 107.307 16.162 17558
644 1 5 . 1 1 22 22 GLY C C 22 174.857 174.857 176.331 -1.474 17558
645 1 5 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.054 0.639 17558
646 1 5 . 1 1 22 22 GLY H H 22 9.027 9.027 7.754 1.273 17558
647 1 5 . 1 1 23 23 SER N N 23 114.334 114.334 117.716 -3.382 17558
648 1 5 . 1 1 23 23 SER HA H 23 3.975 3.975 4.341 -0.366 17558
649 1 5 . 1 1 23 23 SER C C 23 175.751 175.751 176.613 -0.862 17558
650 1 5 . 1 1 23 23 SER CA C 23 60.879 60.879 61.297 -0.418 17558
651 1 5 . 1 1 23 23 SER CB C 23 63.977 63.977 63.339 0.638 17558
652 1 5 . 1 1 23 23 SER H H 23 7.893 7.893 8.624 -0.731 17558
653 1 5 . 1 1 24 24 ALA N N 24 123.192 123.192 125.380 -2.188 17558
654 1 5 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.097 0.078 17558
655 1 5 . 1 1 24 24 ALA C C 24 178.717 178.717 179.017 -0.300 17558
656 1 5 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.683 -0.070 17558
657 1 5 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.302 1.221 17558
658 1 5 . 1 1 24 24 ALA H H 24 7.579 7.579 8.425 -0.846 17558
659 1 5 . 1 1 25 25 MET N N 25 115.187 115.187 115.894 -0.707 17558
660 1 5 . 1 1 25 25 MET HA H 25 4.418 4.418 4.342 0.076 17558
661 1 5 . 1 1 25 25 MET C C 25 176.479 176.479 177.983 -1.504 17558
662 1 5 . 1 1 25 25 MET CA C 25 56.754 56.754 57.709 -0.955 17558
663 1 5 . 1 1 25 25 MET CB C 25 28.852 28.852 33.178 -4.326 17558
664 1 5 . 1 1 25 25 MET H H 25 7.905 7.905 7.619 0.286 17558
665 1 5 . 1 1 26 26 SER N N 26 124.236 124.236 113.721 10.515 17558
666 1 5 . 1 1 26 26 SER HA H 26 4.419 4.419 4.331 0.088 17558
667 1 5 . 1 1 26 26 SER C C 26 173.350 173.350 174.651 -1.301 17558
668 1 5 . 1 1 26 26 SER CA C 26 59.343 59.343 59.429 -0.086 17558
669 1 5 . 1 1 26 26 SER CB C 26 62.573 62.573 63.662 -1.089 17558
670 1 5 . 1 1 26 26 SER H H 26 7.710 7.710 7.541 0.169 17558
671 1 6 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.540 -0.227 17558
672 1 6 . 1 1 2 2 HIS C C 2 177.032 177.032 176.232 0.800 17558
673 1 6 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.866 2.487 17558
674 1 6 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.757 0.799 17558
675 1 6 . 1 1 3 3 MET N N 3 118.797 118.797 116.790 2.007 17558
676 1 6 . 1 1 3 3 MET HA H 3 4.116 4.116 4.246 -0.130 17558
677 1 6 . 1 1 3 3 MET C C 3 177.497 177.497 177.783 -0.286 17558
678 1 6 . 1 1 3 3 MET CA C 3 59.361 59.361 57.821 1.540 17558
679 1 6 . 1 1 3 3 MET CB C 3 33.826 33.826 31.593 2.233 17558
680 1 6 . 1 1 3 3 MET H H 3 8.055 8.055 8.124 -0.069 17558
681 1 6 . 1 1 4 4 ALA N N 4 120.454 120.454 122.002 -1.548 17558
682 1 6 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.155 -0.191 17558
683 1 6 . 1 1 4 4 ALA C C 4 178.892 178.892 179.696 -0.804 17558
684 1 6 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.905 1.146 17558
685 1 6 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.002 0.802 17558
686 1 6 . 1 1 4 4 ALA H H 4 8.279 8.279 7.646 0.633 17558
687 1 6 . 1 1 5 5 GLY N N 5 121.085 121.085 106.791 14.294 17558
688 1 6 . 1 1 5 5 GLY C C 5 174.212 174.212 175.577 -1.365 17558
689 1 6 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.191 1.778 17558
690 1 6 . 1 1 5 5 GLY H H 5 8.478 8.478 8.065 0.413 17558
691 1 6 . 1 1 6 6 ALA N N 6 123.200 123.200 123.800 -0.600 17558
692 1 6 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.043 0.202 17558
693 1 6 . 1 1 6 6 ALA C C 6 179.297 179.297 179.437 -0.140 17558
694 1 6 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.645 1.656 17558
695 1 6 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.266 1.201 17558
696 1 6 . 1 1 6 6 ALA H H 6 8.005 8.005 7.861 0.144 17558
697 1 6 . 1 1 7 7 ALA N N 7 119.489 119.489 120.690 -1.201 17558
698 1 6 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.067 -0.204 17558
699 1 6 . 1 1 7 7 ALA C C 7 178.133 178.133 179.411 -1.278 17558
700 1 6 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.682 1.038 17558
701 1 6 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.338 0.447 17558
702 1 6 . 1 1 7 7 ALA H H 7 8.315 8.315 7.913 0.402 17558
703 1 6 . 1 1 8 8 ALA N N 8 118.612 118.612 121.262 -2.650 17558
704 1 6 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.037 -0.049 17558
705 1 6 . 1 1 8 8 ALA C C 8 178.857 178.857 179.481 -0.624 17558
706 1 6 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.888 1.201 17558
707 1 6 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.346 0.291 17558
708 1 6 . 1 1 8 8 ALA H H 8 8.294 8.294 7.923 0.371 17558
709 1 6 . 1 1 9 9 ALA N N 9 118.968 118.968 120.184 -1.216 17558
710 1 6 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.126 -0.265 17558
711 1 6 . 1 1 9 9 ALA C C 9 179.548 179.548 179.817 -0.269 17558
712 1 6 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.871 1.019 17558
713 1 6 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.497 0.489 17558
714 1 6 . 1 1 9 9 ALA H H 9 8.029 8.029 8.150 -0.121 17558
715 1 6 . 1 1 10 10 GLY N N 10 120.112 120.112 106.174 13.938 17558
716 1 6 . 1 1 10 10 GLY C C 10 175.031 175.031 175.773 -0.742 17558
717 1 6 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.338 1.358 17558
718 1 6 . 1 1 10 10 GLY H H 10 8.386 8.386 8.154 0.232 17558
719 1 6 . 1 1 11 11 ALA N N 11 123.234 123.234 125.032 -1.798 17558
720 1 6 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.177 -0.018 17558
721 1 6 . 1 1 11 11 ALA C C 11 179.909 179.909 179.782 0.127 17558
722 1 6 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.857 0.767 17558
723 1 6 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.486 -0.328 17558
724 1 6 . 1 1 11 11 ALA H H 11 8.392 8.392 8.096 0.296 17558
725 1 6 . 1 1 12 12 VAL N N 12 117.423 117.423 116.574 0.849 17558
726 1 6 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.726 -0.187 17558
727 1 6 . 1 1 12 12 VAL C C 12 176.877 176.877 177.797 -0.920 17558
728 1 6 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.340 2.343 17558
729 1 6 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.958 1.112 17558
730 1 6 . 1 1 12 12 VAL H H 12 7.932 7.932 7.731 0.201 17558
731 1 6 . 1 1 13 13 VAL N N 13 117.519 117.519 120.376 -2.857 17558
732 1 6 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.678 -0.179 17558
733 1 6 . 1 1 13 13 VAL C C 13 177.998 177.998 178.082 -0.084 17558
734 1 6 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.542 1.410 17558
735 1 6 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.983 1.233 17558
736 1 6 . 1 1 13 13 VAL H H 13 7.679 7.679 7.866 -0.187 17558
737 1 6 . 1 1 14 14 GLY N N 14 122.695 122.695 106.823 15.872 17558
738 1 6 . 1 1 14 14 GLY C C 14 175.640 175.640 176.275 -0.635 17558
739 1 6 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.270 0.223 17558
740 1 6 . 1 1 14 14 GLY H H 14 9.134 9.134 8.215 0.919 17558
741 1 6 . 1 1 15 15 GLY N N 15 128.047 128.047 110.750 17.297 17558
742 1 6 . 1 1 15 15 GLY C C 15 175.562 175.562 176.160 -0.598 17558
743 1 6 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.547 1.329 17558
744 1 6 . 1 1 15 15 GLY H H 15 8.635 8.635 7.807 0.828 17558
745 1 6 . 1 1 16 16 LEU N N 16 121.900 121.900 120.289 1.611 17558
746 1 6 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
747 1 6 . 1 1 16 16 LEU C C 16 179.090 179.090 179.016 0.074 17558
748 1 6 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.693 1.217 17558
749 1 6 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
750 1 6 . 1 1 16 16 LEU H H 16 8.137 8.137 7.843 0.294 17558
751 1 6 . 1 1 17 17 GLY N N 17 122.360 122.360 107.402 14.958 17558
752 1 6 . 1 1 17 17 GLY C C 17 175.280 175.280 175.888 -0.608 17558
753 1 6 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.108 1.551 17558
754 1 6 . 1 1 17 17 GLY H H 17 8.412 8.412 8.724 -0.312 17558
755 1 6 . 1 1 18 18 GLY N N 18 126.401 126.401 109.071 17.330 17558
756 1 6 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
757 1 6 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.469 1.756 17558
758 1 6 . 1 1 18 18 GLY H H 18 9.719 9.719 7.981 1.738 17558
759 1 6 . 1 1 19 19 TYR N N 19 123.066 123.066 123.303 -0.237 17558
760 1 6 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.293 -0.200 17558
761 1 6 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
762 1 6 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.129 3.551 17558
763 1 6 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
764 1 6 . 1 1 19 19 TYR H H 19 8.690 8.690 7.712 0.978 17558
765 1 6 . 1 1 20 20 MET N N 20 119.540 119.540 117.936 1.604 17558
766 1 6 . 1 1 20 20 MET HA H 20 3.980 3.980 3.665 0.315 17558
767 1 6 . 1 1 20 20 MET C C 20 178.549 178.549 178.363 0.186 17558
768 1 6 . 1 1 20 20 MET CA C 20 59.630 59.630 59.320 0.310 17558
769 1 6 . 1 1 20 20 MET CB C 20 32.807 32.807 31.670 1.137 17558
770 1 6 . 1 1 20 20 MET H H 20 8.367 8.367 7.820 0.547 17558
771 1 6 . 1 1 21 21 LEU N N 21 119.740 119.740 119.490 0.250 17558
772 1 6 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.077 0.034 17558
773 1 6 . 1 1 21 21 LEU C C 21 178.592 178.592 179.442 -0.850 17558
774 1 6 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.931 0.860 17558
775 1 6 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.152 1.848 17558
776 1 6 . 1 1 21 21 LEU H H 21 8.329 8.329 7.947 0.382 17558
777 1 6 . 1 1 22 22 GLY N N 22 123.469 123.469 107.292 16.177 17558
778 1 6 . 1 1 22 22 GLY C C 22 174.857 174.857 176.442 -1.585 17558
779 1 6 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.261 0.432 17558
780 1 6 . 1 1 22 22 GLY H H 22 9.027 9.027 7.692 1.335 17558
781 1 6 . 1 1 23 23 SER N N 23 114.334 114.334 118.395 -4.061 17558
782 1 6 . 1 1 23 23 SER HA H 23 3.975 3.975 4.472 -0.497 17558
783 1 6 . 1 1 23 23 SER C C 23 175.751 175.751 176.581 -0.830 17558
784 1 6 . 1 1 23 23 SER CA C 23 60.879 60.879 61.013 -0.134 17558
785 1 6 . 1 1 23 23 SER CB C 23 63.977 63.977 63.286 0.691 17558
786 1 6 . 1 1 23 23 SER H H 23 7.893 7.893 8.631 -0.738 17558
787 1 6 . 1 1 24 24 ALA N N 24 123.192 123.192 124.136 -0.944 17558
788 1 6 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.055 0.120 17558
789 1 6 . 1 1 24 24 ALA C C 24 178.717 178.717 178.971 -0.254 17558
790 1 6 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.924 -0.311 17558
791 1 6 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.501 1.022 17558
792 1 6 . 1 1 24 24 ALA H H 24 7.579 7.579 8.578 -0.999 17558
793 1 6 . 1 1 25 25 MET N N 25 115.187 115.187 117.632 -2.445 17558
794 1 6 . 1 1 25 25 MET HA H 25 4.418 4.418 4.262 0.156 17558
795 1 6 . 1 1 25 25 MET C C 25 176.479 176.479 178.111 -1.632 17558
796 1 6 . 1 1 25 25 MET CA C 25 56.754 56.754 57.472 -0.718 17558
797 1 6 . 1 1 25 25 MET CB C 25 28.852 28.852 33.093 -4.241 17558
798 1 6 . 1 1 25 25 MET H H 25 7.905 7.905 7.891 0.014 17558
799 1 6 . 1 1 26 26 SER N N 26 124.236 124.236 114.066 10.170 17558
800 1 6 . 1 1 26 26 SER HA H 26 4.419 4.419 4.342 0.077 17558
801 1 6 . 1 1 26 26 SER C C 26 173.350 173.350 175.532 -2.182 17558
802 1 6 . 1 1 26 26 SER CA C 26 59.343 59.343 59.291 0.052 17558
803 1 6 . 1 1 26 26 SER CB C 26 62.573 62.573 63.637 -1.064 17558
804 1 6 . 1 1 26 26 SER H H 26 7.710 7.710 7.644 0.066 17558
805 1 7 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.575 -0.262 17558
806 1 7 . 1 1 2 2 HIS C C 2 177.032 177.032 176.338 0.694 17558
807 1 7 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.015 2.338 17558
808 1 7 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.543 1.013 17558
809 1 7 . 1 1 3 3 MET N N 3 118.797 118.797 116.800 1.997 17558
810 1 7 . 1 1 3 3 MET HA H 3 4.116 4.116 4.268 -0.152 17558
811 1 7 . 1 1 3 3 MET C C 3 177.497 177.497 177.770 -0.273 17558
812 1 7 . 1 1 3 3 MET CA C 3 59.361 59.361 57.826 1.535 17558
813 1 7 . 1 1 3 3 MET CB C 3 33.826 33.826 31.619 2.207 17558
814 1 7 . 1 1 3 3 MET H H 3 8.055 8.055 8.121 -0.066 17558
815 1 7 . 1 1 4 4 ALA N N 4 120.454 120.454 122.000 -1.546 17558
816 1 7 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.147 -0.182 17558
817 1 7 . 1 1 4 4 ALA C C 4 178.892 178.892 179.678 -0.786 17558
818 1 7 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.890 1.161 17558
819 1 7 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.983 0.821 17558
820 1 7 . 1 1 4 4 ALA H H 4 8.279 8.279 7.630 0.649 17558
821 1 7 . 1 1 5 5 GLY N N 5 121.085 121.085 106.741 14.344 17558
822 1 7 . 1 1 5 5 GLY C C 5 174.212 174.212 175.568 -1.356 17558
823 1 7 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.131 1.839 17558
824 1 7 . 1 1 5 5 GLY H H 5 8.478 8.478 8.004 0.474 17558
825 1 7 . 1 1 6 6 ALA N N 6 123.200 123.200 123.840 -0.640 17558
826 1 7 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.089 0.156 17558
827 1 7 . 1 1 6 6 ALA C C 6 179.297 179.297 179.460 -0.163 17558
828 1 7 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.693 1.608 17558
829 1 7 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.348 1.119 17558
830 1 7 . 1 1 6 6 ALA H H 6 8.005 8.005 7.911 0.094 17558
831 1 7 . 1 1 7 7 ALA N N 7 119.489 119.489 120.708 -1.219 17558
832 1 7 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.075 -0.212 17558
833 1 7 . 1 1 7 7 ALA C C 7 178.133 178.133 179.416 -1.283 17558
834 1 7 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.691 1.029 17558
835 1 7 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.343 0.442 17558
836 1 7 . 1 1 7 7 ALA H H 7 8.315 8.315 7.929 0.386 17558
837 1 7 . 1 1 8 8 ALA N N 8 118.612 118.612 121.257 -2.645 17558
838 1 7 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.035 -0.047 17558
839 1 7 . 1 1 8 8 ALA C C 8 178.857 178.857 179.479 -0.622 17558
840 1 7 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.884 1.205 17558
841 1 7 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.338 0.299 17558
842 1 7 . 1 1 8 8 ALA H H 8 8.294 8.294 7.919 0.375 17558
843 1 7 . 1 1 9 9 ALA N N 9 118.968 118.968 120.181 -1.213 17558
844 1 7 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.125 -0.264 17558
845 1 7 . 1 1 9 9 ALA C C 9 179.548 179.548 179.819 -0.271 17558
846 1 7 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.870 1.020 17558
847 1 7 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.497 0.489 17558
848 1 7 . 1 1 9 9 ALA H H 9 8.029 8.029 8.149 -0.120 17558
849 1 7 . 1 1 10 10 GLY N N 10 120.112 120.112 106.176 13.936 17558
850 1 7 . 1 1 10 10 GLY C C 10 175.031 175.031 175.775 -0.744 17558
851 1 7 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.342 1.355 17558
852 1 7 . 1 1 10 10 GLY H H 10 8.386 8.386 8.160 0.226 17558
853 1 7 . 1 1 11 11 ALA N N 11 123.234 123.234 125.036 -1.802 17558
854 1 7 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.178 -0.019 17558
855 1 7 . 1 1 11 11 ALA C C 11 179.909 179.909 179.782 0.127 17558
856 1 7 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.860 0.764 17558
857 1 7 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.486 -0.328 17558
858 1 7 . 1 1 11 11 ALA H H 11 8.392 8.392 8.097 0.295 17558
859 1 7 . 1 1 12 12 VAL N N 12 117.423 117.423 116.610 0.813 17558
860 1 7 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.742 -0.203 17558
861 1 7 . 1 1 12 12 VAL C C 12 176.877 176.877 177.707 -0.830 17558
862 1 7 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.412 2.271 17558
863 1 7 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.042 1.028 17558
864 1 7 . 1 1 12 12 VAL H H 12 7.932 7.932 7.746 0.186 17558
865 1 7 . 1 1 13 13 VAL N N 13 117.519 117.519 119.734 -2.215 17558
866 1 7 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.630 -0.131 17558
867 1 7 . 1 1 13 13 VAL C C 13 177.998 177.998 178.147 -0.149 17558
868 1 7 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.728 1.224 17558
869 1 7 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.861 1.355 17558
870 1 7 . 1 1 13 13 VAL H H 13 7.679 7.679 7.859 -0.180 17558
871 1 7 . 1 1 14 14 GLY N N 14 122.695 122.695 106.938 15.757 17558
872 1 7 . 1 1 14 14 GLY C C 14 175.640 175.640 176.220 -0.580 17558
873 1 7 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.246 0.247 17558
874 1 7 . 1 1 14 14 GLY H H 14 9.134 9.134 8.262 0.872 17558
875 1 7 . 1 1 15 15 GLY N N 15 128.047 128.047 110.752 17.295 17558
876 1 7 . 1 1 15 15 GLY C C 15 175.562 175.562 176.162 -0.600 17558
877 1 7 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.547 1.329 17558
878 1 7 . 1 1 15 15 GLY H H 15 8.635 8.635 7.808 0.827 17558
879 1 7 . 1 1 16 16 LEU N N 16 121.900 121.900 120.295 1.605 17558
880 1 7 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.424 -0.328 17558
881 1 7 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
882 1 7 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.695 1.215 17558
883 1 7 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.203 1.340 17558
884 1 7 . 1 1 16 16 LEU H H 16 8.137 8.137 7.842 0.295 17558
885 1 7 . 1 1 17 17 GLY N N 17 122.360 122.360 107.399 14.961 17558
886 1 7 . 1 1 17 17 GLY C C 17 175.280 175.280 175.889 -0.609 17558
887 1 7 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.110 1.549 17558
888 1 7 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
889 1 7 . 1 1 18 18 GLY N N 18 126.401 126.401 109.068 17.333 17558
890 1 7 . 1 1 18 18 GLY C C 18 175.418 175.418 174.880 0.538 17558
891 1 7 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.469 1.756 17558
892 1 7 . 1 1 18 18 GLY H H 18 9.719 9.719 7.982 1.737 17558
893 1 7 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
894 1 7 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
895 1 7 . 1 1 19 19 TYR C C 19 179.066 179.066 177.408 1.658 17558
896 1 7 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.130 3.550 17558
897 1 7 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
898 1 7 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
899 1 7 . 1 1 20 20 MET N N 20 119.540 119.540 117.777 1.763 17558
900 1 7 . 1 1 20 20 MET HA H 20 3.980 3.980 3.673 0.307 17558
901 1 7 . 1 1 20 20 MET C C 20 178.549 178.549 178.307 0.242 17558
902 1 7 . 1 1 20 20 MET CA C 20 59.630 59.630 59.400 0.230 17558
903 1 7 . 1 1 20 20 MET CB C 20 32.807 32.807 31.699 1.108 17558
904 1 7 . 1 1 20 20 MET H H 20 8.367 8.367 7.732 0.635 17558
905 1 7 . 1 1 21 21 LEU N N 21 119.740 119.740 119.452 0.288 17558
906 1 7 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.053 0.058 17558
907 1 7 . 1 1 21 21 LEU C C 21 178.592 178.592 179.398 -0.806 17558
908 1 7 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.204 0.587 17558
909 1 7 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.444 1.556 17558
910 1 7 . 1 1 21 21 LEU H H 21 8.329 8.329 7.947 0.382 17558
911 1 7 . 1 1 22 22 GLY N N 22 123.469 123.469 106.716 16.753 17558
912 1 7 . 1 1 22 22 GLY C C 22 174.857 174.857 176.029 -1.172 17558
913 1 7 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.164 0.528 17558
914 1 7 . 1 1 22 22 GLY H H 22 9.027 9.027 7.677 1.350 17558
915 1 7 . 1 1 23 23 SER N N 23 114.334 114.334 117.336 -3.002 17558
916 1 7 . 1 1 23 23 SER HA H 23 3.975 3.975 4.308 -0.333 17558
917 1 7 . 1 1 23 23 SER C C 23 175.751 175.751 176.593 -0.842 17558
918 1 7 . 1 1 23 23 SER CA C 23 60.879 60.879 60.859 0.020 17558
919 1 7 . 1 1 23 23 SER CB C 23 63.977 63.977 63.262 0.715 17558
920 1 7 . 1 1 23 23 SER H H 23 7.893 7.893 8.604 -0.711 17558
921 1 7 . 1 1 24 24 ALA N N 24 123.192 123.192 124.987 -1.795 17558
922 1 7 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.100 0.075 17558
923 1 7 . 1 1 24 24 ALA C C 24 178.717 178.717 179.290 -0.573 17558
924 1 7 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.753 -0.140 17558
925 1 7 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.402 1.121 17558
926 1 7 . 1 1 24 24 ALA H H 24 7.579 7.579 8.542 -0.963 17558
927 1 7 . 1 1 25 25 MET N N 25 115.187 115.187 116.981 -1.794 17558
928 1 7 . 1 1 25 25 MET HA H 25 4.418 4.418 4.267 0.151 17558
929 1 7 . 1 1 25 25 MET C C 25 176.479 176.479 178.064 -1.585 17558
930 1 7 . 1 1 25 25 MET CA C 25 56.754 56.754 57.647 -0.893 17558
931 1 7 . 1 1 25 25 MET CB C 25 28.852 28.852 33.168 -4.316 17558
932 1 7 . 1 1 25 25 MET H H 25 7.905 7.905 7.865 0.040 17558
933 1 7 . 1 1 26 26 SER N N 26 124.236 124.236 114.281 9.955 17558
934 1 7 . 1 1 26 26 SER HA H 26 4.419 4.419 4.399 0.020 17558
935 1 7 . 1 1 26 26 SER C C 26 173.350 173.350 174.725 -1.375 17558
936 1 7 . 1 1 26 26 SER CA C 26 59.343 59.343 60.218 -0.875 17558
937 1 7 . 1 1 26 26 SER CB C 26 62.573 62.573 63.613 -1.040 17558
938 1 7 . 1 1 26 26 SER H H 26 7.710 7.710 7.591 0.119 17558
939 1 8 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.507 -0.194 17558
940 1 8 . 1 1 2 2 HIS C C 2 177.032 177.032 176.158 0.874 17558
941 1 8 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.957 2.396 17558
942 1 8 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.582 0.974 17558
943 1 8 . 1 1 3 3 MET N N 3 118.797 118.797 116.843 1.954 17558
944 1 8 . 1 1 3 3 MET HA H 3 4.116 4.116 4.289 -0.173 17558
945 1 8 . 1 1 3 3 MET C C 3 177.497 177.497 177.759 -0.262 17558
946 1 8 . 1 1 3 3 MET CA C 3 59.361 59.361 57.807 1.554 17558
947 1 8 . 1 1 3 3 MET CB C 3 33.826 33.826 31.645 2.181 17558
948 1 8 . 1 1 3 3 MET H H 3 8.055 8.055 8.120 -0.065 17558
949 1 8 . 1 1 4 4 ALA N N 4 120.454 120.454 121.997 -1.543 17558
950 1 8 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.147 -0.182 17558
951 1 8 . 1 1 4 4 ALA C C 4 178.892 178.892 179.672 -0.780 17558
952 1 8 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.880 1.171 17558
953 1 8 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.977 0.827 17558
954 1 8 . 1 1 4 4 ALA H H 4 8.279 8.279 7.624 0.655 17558
955 1 8 . 1 1 5 5 GLY N N 5 121.085 121.085 106.730 14.355 17558
956 1 8 . 1 1 5 5 GLY C C 5 174.212 174.212 175.592 -1.380 17558
957 1 8 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.120 1.850 17558
958 1 8 . 1 1 5 5 GLY H H 5 8.478 8.478 7.980 0.498 17558
959 1 8 . 1 1 6 6 ALA N N 6 123.200 123.200 123.897 -0.697 17558
960 1 8 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.143 0.102 17558
961 1 8 . 1 1 6 6 ALA C C 6 179.297 179.297 179.487 -0.190 17558
962 1 8 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.749 1.552 17558
963 1 8 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.420 1.047 17558
964 1 8 . 1 1 6 6 ALA H H 6 8.005 8.005 7.981 0.024 17558
965 1 8 . 1 1 7 7 ALA N N 7 119.489 119.489 120.729 -1.240 17558
966 1 8 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.087 -0.224 17558
967 1 8 . 1 1 7 7 ALA C C 7 178.133 178.133 179.425 -1.292 17558
968 1 8 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.703 1.017 17558
969 1 8 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.351 0.434 17558
970 1 8 . 1 1 7 7 ALA H H 7 8.315 8.315 7.950 0.365 17558
971 1 8 . 1 1 8 8 ALA N N 8 118.612 118.612 121.261 -2.649 17558
972 1 8 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.038 -0.050 17558
973 1 8 . 1 1 8 8 ALA C C 8 178.857 178.857 179.484 -0.627 17558
974 1 8 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.887 1.202 17558
975 1 8 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.339 0.298 17558
976 1 8 . 1 1 8 8 ALA H H 8 8.294 8.294 7.926 0.368 17558
977 1 8 . 1 1 9 9 ALA N N 9 118.968 118.968 120.193 -1.225 17558
978 1 8 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.129 -0.268 17558
979 1 8 . 1 1 9 9 ALA C C 9 179.548 179.548 179.826 -0.278 17558
980 1 8 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.879 1.011 17558
981 1 8 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.506 0.480 17558
982 1 8 . 1 1 9 9 ALA H H 9 8.029 8.029 8.157 -0.128 17558
983 1 8 . 1 1 10 10 GLY N N 10 120.112 120.112 106.182 13.930 17558
984 1 8 . 1 1 10 10 GLY C C 10 175.031 175.031 175.780 -0.749 17558
985 1 8 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.350 1.345 17558
986 1 8 . 1 1 10 10 GLY H H 10 8.386 8.386 8.173 0.213 17558
987 1 8 . 1 1 11 11 ALA N N 11 123.234 123.234 125.040 -1.806 17558
988 1 8 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.182 -0.023 17558
989 1 8 . 1 1 11 11 ALA C C 11 179.909 179.909 179.785 0.124 17558
990 1 8 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.864 0.760 17558
991 1 8 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.490 -0.332 17558
992 1 8 . 1 1 11 11 ALA H H 11 8.392 8.392 8.102 0.290 17558
993 1 8 . 1 1 12 12 VAL N N 12 117.423 117.423 116.619 0.804 17558
994 1 8 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.747 -0.208 17558
995 1 8 . 1 1 12 12 VAL C C 12 176.877 176.877 177.723 -0.846 17558
996 1 8 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.424 2.259 17558
997 1 8 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.041 1.029 17558
998 1 8 . 1 1 12 12 VAL H H 12 7.932 7.932 7.750 0.182 17558
999 1 8 . 1 1 13 13 VAL N N 13 117.519 117.519 119.735 -2.216 17558
1000 1 8 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.638 -0.139 17558
1001 1 8 . 1 1 13 13 VAL C C 13 177.998 177.998 178.163 -0.165 17558
1002 1 8 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.683 1.269 17558
1003 1 8 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.825 1.391 17558
1004 1 8 . 1 1 13 13 VAL H H 13 7.679 7.679 7.866 -0.187 17558
1005 1 8 . 1 1 14 14 GLY N N 14 122.695 122.695 106.964 15.731 17558
1006 1 8 . 1 1 14 14 GLY C C 14 175.640 175.640 176.233 -0.593 17558
1007 1 8 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.253 0.240 17558
1008 1 8 . 1 1 14 14 GLY H H 14 9.134 9.134 8.272 0.862 17558
1009 1 8 . 1 1 15 15 GLY N N 15 128.047 128.047 110.757 17.290 17558
1010 1 8 . 1 1 15 15 GLY C C 15 175.562 175.562 176.165 -0.603 17558
1011 1 8 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.551 1.325 17558
1012 1 8 . 1 1 15 15 GLY H H 15 8.635 8.635 7.810 0.825 17558
1013 1 8 . 1 1 16 16 LEU N N 16 121.900 121.900 120.297 1.603 17558
1014 1 8 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.424 -0.328 17558
1015 1 8 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
1016 1 8 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.696 1.214 17558
1017 1 8 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
1018 1 8 . 1 1 16 16 LEU H H 16 8.137 8.137 7.845 0.292 17558
1019 1 8 . 1 1 17 17 GLY N N 17 122.360 122.360 107.400 14.960 17558
1020 1 8 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
1021 1 8 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.109 1.550 17558
1022 1 8 . 1 1 17 17 GLY H H 17 8.412 8.412 8.727 -0.315 17558
1023 1 8 . 1 1 18 18 GLY N N 18 126.401 126.401 109.072 17.329 17558
1024 1 8 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
1025 1 8 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.472 1.753 17558
1026 1 8 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
1027 1 8 . 1 1 19 19 TYR N N 19 123.066 123.066 123.305 -0.239 17558
1028 1 8 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
1029 1 8 . 1 1 19 19 TYR C C 19 179.066 179.066 177.410 1.656 17558
1030 1 8 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
1031 1 8 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
1032 1 8 . 1 1 19 19 TYR H H 19 8.690 8.690 7.714 0.976 17558
1033 1 8 . 1 1 20 20 MET N N 20 119.540 119.540 117.754 1.786 17558
1034 1 8 . 1 1 20 20 MET HA H 20 3.980 3.980 3.673 0.307 17558
1035 1 8 . 1 1 20 20 MET C C 20 178.549 178.549 178.278 0.271 17558
1036 1 8 . 1 1 20 20 MET CA C 20 59.630 59.630 59.366 0.264 17558
1037 1 8 . 1 1 20 20 MET CB C 20 32.807 32.807 31.708 1.099 17558
1038 1 8 . 1 1 20 20 MET H H 20 8.367 8.367 7.738 0.629 17558
1039 1 8 . 1 1 21 21 LEU N N 21 119.740 119.740 119.483 0.257 17558
1040 1 8 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.077 0.034 17558
1041 1 8 . 1 1 21 21 LEU C C 21 178.592 178.592 179.437 -0.845 17558
1042 1 8 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.977 0.814 17558
1043 1 8 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.183 1.817 17558
1044 1 8 . 1 1 21 21 LEU H H 21 8.329 8.329 7.949 0.380 17558
1045 1 8 . 1 1 22 22 GLY N N 22 123.469 123.469 106.708 16.761 17558
1046 1 8 . 1 1 22 22 GLY C C 22 174.857 174.857 176.191 -1.334 17558
1047 1 8 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.178 0.515 17558
1048 1 8 . 1 1 22 22 GLY H H 22 9.027 9.027 7.706 1.321 17558
1049 1 8 . 1 1 23 23 SER N N 23 114.334 114.334 117.921 -3.587 17558
1050 1 8 . 1 1 23 23 SER HA H 23 3.975 3.975 4.275 -0.300 17558
1051 1 8 . 1 1 23 23 SER C C 23 175.751 175.751 176.470 -0.719 17558
1052 1 8 . 1 1 23 23 SER CA C 23 60.879 60.879 61.272 -0.393 17558
1053 1 8 . 1 1 23 23 SER CB C 23 63.977 63.977 63.265 0.712 17558
1054 1 8 . 1 1 23 23 SER H H 23 7.893 7.893 8.623 -0.730 17558
1055 1 8 . 1 1 24 24 ALA N N 24 123.192 123.192 125.355 -2.163 17558
1056 1 8 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.097 0.078 17558
1057 1 8 . 1 1 24 24 ALA C C 24 178.717 178.717 179.024 -0.307 17558
1058 1 8 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.690 -0.077 17558
1059 1 8 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.300 1.223 17558
1060 1 8 . 1 1 24 24 ALA H H 24 7.579 7.579 8.429 -0.850 17558
1061 1 8 . 1 1 25 25 MET N N 25 115.187 115.187 116.176 -0.989 17558
1062 1 8 . 1 1 25 25 MET HA H 25 4.418 4.418 4.341 0.077 17558
1063 1 8 . 1 1 25 25 MET C C 25 176.479 176.479 178.493 -2.014 17558
1064 1 8 . 1 1 25 25 MET CA C 25 56.754 56.754 57.949 -1.195 17558
1065 1 8 . 1 1 25 25 MET CB C 25 28.852 28.852 33.236 -4.384 17558
1066 1 8 . 1 1 25 25 MET H H 25 7.905 7.905 7.688 0.217 17558
1067 1 8 . 1 1 26 26 SER N N 26 124.236 124.236 114.640 9.596 17558
1068 1 8 . 1 1 26 26 SER HA H 26 4.419 4.419 4.296 0.123 17558
1069 1 8 . 1 1 26 26 SER C C 26 173.350 173.350 174.456 -1.106 17558
1070 1 8 . 1 1 26 26 SER CA C 26 59.343 59.343 59.997 -0.654 17558
1071 1 8 . 1 1 26 26 SER CB C 26 62.573 62.573 63.524 -0.951 17558
1072 1 8 . 1 1 26 26 SER H H 26 7.710 7.710 7.588 0.122 17558
1073 1 9 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.576 -0.263 17558
1074 1 9 . 1 1 2 2 HIS C C 2 177.032 177.032 176.370 0.662 17558
1075 1 9 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.308 2.045 17558
1076 1 9 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.589 0.967 17558
1077 1 9 . 1 1 3 3 MET N N 3 118.797 118.797 116.793 2.004 17558
1078 1 9 . 1 1 3 3 MET HA H 3 4.116 4.116 4.270 -0.154 17558
1079 1 9 . 1 1 3 3 MET C C 3 177.497 177.497 177.760 -0.263 17558
1080 1 9 . 1 1 3 3 MET CA C 3 59.361 59.361 57.798 1.563 17558
1081 1 9 . 1 1 3 3 MET CB C 3 33.826 33.826 31.634 2.192 17558
1082 1 9 . 1 1 3 3 MET H H 3 8.055 8.055 8.191 -0.136 17558
1083 1 9 . 1 1 4 4 ALA N N 4 120.454 120.454 121.980 -1.526 17558
1084 1 9 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.140 -0.175 17558
1085 1 9 . 1 1 4 4 ALA C C 4 178.892 178.892 179.663 -0.771 17558
1086 1 9 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.880 1.171 17558
1087 1 9 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.968 0.836 17558
1088 1 9 . 1 1 4 4 ALA H H 4 8.279 8.279 7.613 0.666 17558
1089 1 9 . 1 1 5 5 GLY N N 5 121.085 121.085 106.718 14.367 17558
1090 1 9 . 1 1 5 5 GLY C C 5 174.212 174.212 175.554 -1.342 17558
1091 1 9 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.109 1.861 17558
1092 1 9 . 1 1 5 5 GLY H H 5 8.478 8.478 7.967 0.511 17558
1093 1 9 . 1 1 6 6 ALA N N 6 123.200 123.200 123.815 -0.615 17558
1094 1 9 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.113 0.132 17558
1095 1 9 . 1 1 6 6 ALA C C 6 179.297 179.297 179.466 -0.169 17558
1096 1 9 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.710 1.591 17558
1097 1 9 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.382 1.085 17558
1098 1 9 . 1 1 6 6 ALA H H 6 8.005 8.005 7.864 0.141 17558
1099 1 9 . 1 1 7 7 ALA N N 7 119.489 119.489 120.706 -1.217 17558
1100 1 9 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.080 -0.217 17558
1101 1 9 . 1 1 7 7 ALA C C 7 178.133 178.133 179.417 -1.284 17558
1102 1 9 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.694 1.026 17558
1103 1 9 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.343 0.442 17558
1104 1 9 . 1 1 7 7 ALA H H 7 8.315 8.315 7.926 0.389 17558
1105 1 9 . 1 1 8 8 ALA N N 8 118.612 118.612 121.256 -2.644 17558
1106 1 9 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.035 -0.047 17558
1107 1 9 . 1 1 8 8 ALA C C 8 178.857 178.857 179.480 -0.623 17558
1108 1 9 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.883 1.206 17558
1109 1 9 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.337 0.300 17558
1110 1 9 . 1 1 8 8 ALA H H 8 8.294 8.294 7.918 0.376 17558
1111 1 9 . 1 1 9 9 ALA N N 9 118.968 118.968 120.189 -1.221 17558
1112 1 9 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.128 -0.267 17558
1113 1 9 . 1 1 9 9 ALA C C 9 179.548 179.548 179.824 -0.276 17558
1114 1 9 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.877 1.012 17558
1115 1 9 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.505 0.481 17558
1116 1 9 . 1 1 9 9 ALA H H 9 8.029 8.029 8.152 -0.123 17558
1117 1 9 . 1 1 10 10 GLY N N 10 120.112 120.112 106.179 13.933 17558
1118 1 9 . 1 1 10 10 GLY C C 10 175.031 175.031 175.778 -0.747 17558
1119 1 9 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.348 1.348 17558
1120 1 9 . 1 1 10 10 GLY H H 10 8.386 8.386 8.166 0.220 17558
1121 1 9 . 1 1 11 11 ALA N N 11 123.234 123.234 125.163 -1.929 17558
1122 1 9 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.177 -0.018 17558
1123 1 9 . 1 1 11 11 ALA C C 11 179.909 179.909 179.730 0.179 17558
1124 1 9 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.770 0.854 17558
1125 1 9 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.411 -0.253 17558
1126 1 9 . 1 1 11 11 ALA H H 11 8.392 8.392 8.068 0.324 17558
1127 1 9 . 1 1 12 12 VAL N N 12 117.423 117.423 115.774 1.649 17558
1128 1 9 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.603 -0.064 17558
1129 1 9 . 1 1 12 12 VAL C C 12 176.877 176.877 177.742 -0.865 17558
1130 1 9 . 1 1 12 12 VAL CA C 12 67.683 67.683 66.020 1.663 17558
1131 1 9 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.502 0.568 17558
1132 1 9 . 1 1 12 12 VAL H H 12 7.932 7.932 7.719 0.213 17558
1133 1 9 . 1 1 13 13 VAL N N 13 117.519 117.519 120.364 -2.845 17558
1134 1 9 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.620 -0.121 17558
1135 1 9 . 1 1 13 13 VAL C C 13 177.998 177.998 178.048 -0.050 17558
1136 1 9 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.998 0.954 17558
1137 1 9 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.459 0.757 17558
1138 1 9 . 1 1 13 13 VAL H H 13 7.679 7.679 7.854 -0.175 17558
1139 1 9 . 1 1 14 14 GLY N N 14 122.695 122.695 106.685 16.010 17558
1140 1 9 . 1 1 14 14 GLY C C 14 175.640 175.640 176.184 -0.544 17558
1141 1 9 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.228 0.265 17558
1142 1 9 . 1 1 14 14 GLY H H 14 9.134 9.134 8.179 0.955 17558
1143 1 9 . 1 1 15 15 GLY N N 15 128.047 128.047 110.755 17.292 17558
1144 1 9 . 1 1 15 15 GLY C C 15 175.562 175.562 176.163 -0.601 17558
1145 1 9 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
1146 1 9 . 1 1 15 15 GLY H H 15 8.635 8.635 7.809 0.826 17558
1147 1 9 . 1 1 16 16 LEU N N 16 121.900 121.900 120.291 1.609 17558
1148 1 9 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.426 -0.330 17558
1149 1 9 . 1 1 16 16 LEU C C 16 179.090 179.090 179.017 0.073 17558
1150 1 9 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
1151 1 9 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
1152 1 9 . 1 1 16 16 LEU H H 16 8.137 8.137 7.844 0.293 17558
1153 1 9 . 1 1 17 17 GLY N N 17 122.360 122.360 107.405 14.955 17558
1154 1 9 . 1 1 17 17 GLY C C 17 175.280 175.280 175.889 -0.609 17558
1155 1 9 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.110 1.549 17558
1156 1 9 . 1 1 17 17 GLY H H 17 8.412 8.412 8.726 -0.314 17558
1157 1 9 . 1 1 18 18 GLY N N 18 126.401 126.401 109.068 17.333 17558
1158 1 9 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
1159 1 9 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.470 1.755 17558
1160 1 9 . 1 1 18 18 GLY H H 18 9.719 9.719 7.984 1.735 17558
1161 1 9 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
1162 1 9 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
1163 1 9 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
1164 1 9 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
1165 1 9 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.577 1.204 17558
1166 1 9 . 1 1 19 19 TYR H H 19 8.690 8.690 7.714 0.976 17558
1167 1 9 . 1 1 20 20 MET N N 20 119.540 119.540 117.767 1.773 17558
1168 1 9 . 1 1 20 20 MET HA H 20 3.980 3.980 3.674 0.306 17558
1169 1 9 . 1 1 20 20 MET C C 20 178.549 178.549 178.299 0.250 17558
1170 1 9 . 1 1 20 20 MET CA C 20 59.630 59.630 59.392 0.239 17558
1171 1 9 . 1 1 20 20 MET CB C 20 32.807 32.807 31.704 1.103 17558
1172 1 9 . 1 1 20 20 MET H H 20 8.367 8.367 7.736 0.631 17558
1173 1 9 . 1 1 21 21 LEU N N 21 119.740 119.740 119.468 0.272 17558
1174 1 9 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.059 0.052 17558
1175 1 9 . 1 1 21 21 LEU C C 21 178.592 178.592 179.405 -0.813 17558
1176 1 9 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.202 0.589 17558
1177 1 9 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.383 1.617 17558
1178 1 9 . 1 1 21 21 LEU H H 21 8.329 8.329 7.949 0.380 17558
1179 1 9 . 1 1 22 22 GLY N N 22 123.469 123.469 106.676 16.793 17558
1180 1 9 . 1 1 22 22 GLY C C 22 174.857 174.857 176.024 -1.167 17558
1181 1 9 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.155 0.538 17558
1182 1 9 . 1 1 22 22 GLY H H 22 9.027 9.027 7.674 1.353 17558
1183 1 9 . 1 1 23 23 SER N N 23 114.334 114.334 117.342 -3.008 17558
1184 1 9 . 1 1 23 23 SER HA H 23 3.975 3.975 4.310 -0.335 17558
1185 1 9 . 1 1 23 23 SER C C 23 175.751 175.751 176.607 -0.856 17558
1186 1 9 . 1 1 23 23 SER CA C 23 60.879 60.879 60.760 0.119 17558
1187 1 9 . 1 1 23 23 SER CB C 23 63.977 63.977 63.255 0.722 17558
1188 1 9 . 1 1 23 23 SER H H 23 7.893 7.893 8.611 -0.718 17558
1189 1 9 . 1 1 24 24 ALA N N 24 123.192 123.192 125.023 -1.831 17558
1190 1 9 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.081 0.094 17558
1191 1 9 . 1 1 24 24 ALA C C 24 178.717 178.717 179.373 -0.656 17558
1192 1 9 . 1 1 24 24 ALA CA C 24 54.613 54.613 55.001 -0.388 17558
1193 1 9 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.193 1.330 17558
1194 1 9 . 1 1 24 24 ALA H H 24 7.579 7.579 8.521 -0.942 17558
1195 1 9 . 1 1 25 25 MET N N 25 115.187 115.187 116.224 -1.037 17558
1196 1 9 . 1 1 25 25 MET HA H 25 4.418 4.418 4.297 0.121 17558
1197 1 9 . 1 1 25 25 MET C C 25 176.479 176.479 178.107 -1.628 17558
1198 1 9 . 1 1 25 25 MET CA C 25 56.754 56.754 57.695 -0.941 17558
1199 1 9 . 1 1 25 25 MET CB C 25 28.852 28.852 32.889 -4.037 17558
1200 1 9 . 1 1 25 25 MET H H 25 7.905 7.905 7.849 0.056 17558
1201 1 9 . 1 1 26 26 SER N N 26 124.236 124.236 114.227 10.009 17558
1202 1 9 . 1 1 26 26 SER HA H 26 4.419 4.419 4.375 0.044 17558
1203 1 9 . 1 1 26 26 SER C C 26 173.350 173.350 174.188 -0.838 17558
1204 1 9 . 1 1 26 26 SER CA C 26 59.343 59.343 59.308 0.035 17558
1205 1 9 . 1 1 26 26 SER CB C 26 62.573 62.573 63.642 -1.069 17558
1206 1 9 . 1 1 26 26 SER H H 26 7.710 7.710 7.596 0.114 17558
1207 1 10 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.594 -0.281 17558
1208 1 10 . 1 1 2 2 HIS C C 2 177.032 177.032 176.364 0.668 17558
1209 1 10 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.187 2.166 17558
1210 1 10 . 1 1 2 2 HIS CB C 2 30.556 30.556 28.615 1.941 17558
1211 1 10 . 1 1 3 3 MET N N 3 118.797 118.797 117.905 0.892 17558
1212 1 10 . 1 1 3 3 MET HA H 3 4.116 4.116 4.347 -0.231 17558
1213 1 10 . 1 1 3 3 MET C C 3 177.497 177.497 178.047 -0.550 17558
1214 1 10 . 1 1 3 3 MET CA C 3 59.361 59.361 57.804 1.557 17558
1215 1 10 . 1 1 3 3 MET CB C 3 33.826 33.826 31.380 2.446 17558
1216 1 10 . 1 1 3 3 MET H H 3 8.055 8.055 7.810 0.245 17558
1217 1 10 . 1 1 4 4 ALA N N 4 120.454 120.454 122.044 -1.590 17558
1218 1 10 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.182 -0.217 17558
1219 1 10 . 1 1 4 4 ALA C C 4 178.892 178.892 179.766 -0.874 17558
1220 1 10 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.934 1.117 17558
1221 1 10 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.011 0.793 17558
1222 1 10 . 1 1 4 4 ALA H H 4 8.279 8.279 7.647 0.632 17558
1223 1 10 . 1 1 5 5 GLY N N 5 121.085 121.085 106.922 14.163 17558
1224 1 10 . 1 1 5 5 GLY C C 5 174.212 174.212 175.761 -1.549 17558
1225 1 10 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.320 1.650 17558
1226 1 10 . 1 1 5 5 GLY H H 5 8.478 8.478 8.185 0.293 17558
1227 1 10 . 1 1 6 6 ALA N N 6 123.200 123.200 124.088 -0.888 17558
1228 1 10 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.198 0.047 17558
1229 1 10 . 1 1 6 6 ALA C C 6 179.297 179.297 179.541 -0.244 17558
1230 1 10 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.819 1.482 17558
1231 1 10 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.474 0.993 17558
1232 1 10 . 1 1 6 6 ALA H H 6 8.005 8.005 8.228 -0.223 17558
1233 1 10 . 1 1 7 7 ALA N N 7 119.489 119.489 120.784 -1.295 17558
1234 1 10 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.113 -0.250 17558
1235 1 10 . 1 1 7 7 ALA C C 7 178.133 178.133 179.455 -1.322 17558
1236 1 10 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.732 0.988 17558
1237 1 10 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.382 0.403 17558
1238 1 10 . 1 1 7 7 ALA H H 7 8.315 8.315 8.020 0.295 17558
1239 1 10 . 1 1 8 8 ALA N N 8 118.612 118.612 121.305 -2.693 17558
1240 1 10 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.061 -0.073 17558
1241 1 10 . 1 1 8 8 ALA C C 8 178.857 178.857 179.511 -0.654 17558
1242 1 10 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.918 1.171 17558
1243 1 10 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.374 0.263 17558
1244 1 10 . 1 1 8 8 ALA H H 8 8.294 8.294 7.979 0.315 17558
1245 1 10 . 1 1 9 9 ALA N N 9 118.968 118.968 120.225 -1.257 17558
1246 1 10 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.145 -0.284 17558
1247 1 10 . 1 1 9 9 ALA C C 9 179.548 179.548 179.841 -0.293 17558
1248 1 10 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.900 0.990 17558
1249 1 10 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.526 0.460 17558
1250 1 10 . 1 1 9 9 ALA H H 9 8.029 8.029 8.200 -0.171 17558
1251 1 10 . 1 1 10 10 GLY N N 10 120.112 120.112 106.195 13.917 17558
1252 1 10 . 1 1 10 10 GLY C C 10 175.031 175.031 175.790 -0.759 17558
1253 1 10 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.361 1.335 17558
1254 1 10 . 1 1 10 10 GLY H H 10 8.386 8.386 8.195 0.191 17558
1255 1 10 . 1 1 11 11 ALA N N 11 123.234 123.234 124.946 -1.712 17558
1256 1 10 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.218 -0.059 17558
1257 1 10 . 1 1 11 11 ALA C C 11 179.909 179.909 179.853 0.056 17558
1258 1 10 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.951 0.673 17558
1259 1 10 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.468 -0.310 17558
1260 1 10 . 1 1 11 11 ALA H H 11 8.392 8.392 8.148 0.244 17558
1261 1 10 . 1 1 12 12 VAL N N 12 117.423 117.423 116.279 1.144 17558
1262 1 10 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.761 -0.222 17558
1263 1 10 . 1 1 12 12 VAL C C 12 176.877 176.877 177.846 -0.969 17558
1264 1 10 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.841 1.842 17558
1265 1 10 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.669 1.401 17558
1266 1 10 . 1 1 12 12 VAL H H 12 7.932 7.932 7.819 0.113 17558
1267 1 10 . 1 1 13 13 VAL N N 13 117.519 117.519 120.308 -2.789 17558
1268 1 10 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.737 -0.238 17558
1269 1 10 . 1 1 13 13 VAL C C 13 177.998 177.998 178.290 -0.292 17558
1270 1 10 . 1 1 13 13 VAL CA C 13 67.952 67.952 65.546 2.406 17558
1271 1 10 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.447 1.769 17558
1272 1 10 . 1 1 13 13 VAL H H 13 7.679 7.679 7.928 -0.249 17558
1273 1 10 . 1 1 14 14 GLY N N 14 122.695 122.695 106.946 15.749 17558
1274 1 10 . 1 1 14 14 GLY C C 14 175.640 175.640 176.307 -0.667 17558
1275 1 10 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.292 0.201 17558
1276 1 10 . 1 1 14 14 GLY H H 14 9.134 9.134 8.245 0.889 17558
1277 1 10 . 1 1 15 15 GLY N N 15 128.047 128.047 110.758 17.289 17558
1278 1 10 . 1 1 15 15 GLY C C 15 175.562 175.562 176.166 -0.604 17558
1279 1 10 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.553 1.323 17558
1280 1 10 . 1 1 15 15 GLY H H 15 8.635 8.635 7.813 0.822 17558
1281 1 10 . 1 1 16 16 LEU N N 16 121.900 121.900 120.296 1.604 17558
1282 1 10 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.427 -0.331 17558
1283 1 10 . 1 1 16 16 LEU C C 16 179.090 179.090 179.019 0.071 17558
1284 1 10 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.696 1.214 17558
1285 1 10 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.207 1.336 17558
1286 1 10 . 1 1 16 16 LEU H H 16 8.137 8.137 7.846 0.291 17558
1287 1 10 . 1 1 17 17 GLY N N 17 122.360 122.360 107.404 14.956 17558
1288 1 10 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
1289 1 10 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.110 1.549 17558
1290 1 10 . 1 1 17 17 GLY H H 17 8.412 8.412 8.729 -0.317 17558
1291 1 10 . 1 1 18 18 GLY N N 18 126.401 126.401 109.072 17.329 17558
1292 1 10 . 1 1 18 18 GLY C C 18 175.418 175.418 174.883 0.535 17558
1293 1 10 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
1294 1 10 . 1 1 18 18 GLY H H 18 9.719 9.719 7.987 1.732 17558
1295 1 10 . 1 1 19 19 TYR N N 19 123.066 123.066 123.310 -0.244 17558
1296 1 10 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
1297 1 10 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
1298 1 10 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.135 3.545 17558
1299 1 10 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.578 1.203 17558
1300 1 10 . 1 1 19 19 TYR H H 19 8.690 8.690 7.716 0.974 17558
1301 1 10 . 1 1 20 20 MET N N 20 119.540 119.540 117.766 1.774 17558
1302 1 10 . 1 1 20 20 MET HA H 20 3.980 3.980 3.675 0.305 17558
1303 1 10 . 1 1 20 20 MET C C 20 178.549 178.549 178.298 0.251 17558
1304 1 10 . 1 1 20 20 MET CA C 20 59.630 59.630 59.391 0.239 17558
1305 1 10 . 1 1 20 20 MET CB C 20 32.807 32.807 31.703 1.104 17558
1306 1 10 . 1 1 20 20 MET H H 20 8.367 8.367 7.737 0.630 17558
1307 1 10 . 1 1 21 21 LEU N N 21 119.740 119.740 119.410 0.330 17558
1308 1 10 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.137 -0.026 17558
1309 1 10 . 1 1 21 21 LEU C C 21 178.592 178.592 179.395 -0.803 17558
1310 1 10 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.314 0.477 17558
1311 1 10 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.429 1.571 17558
1312 1 10 . 1 1 21 21 LEU H H 21 8.329 8.329 7.938 0.391 17558
1313 1 10 . 1 1 22 22 GLY N N 22 123.469 123.469 106.637 16.832 17558
1314 1 10 . 1 1 22 22 GLY C C 22 174.857 174.857 176.009 -1.152 17558
1315 1 10 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.122 0.571 17558
1316 1 10 . 1 1 22 22 GLY H H 22 9.027 9.027 7.675 1.352 17558
1317 1 10 . 1 1 23 23 SER N N 23 114.334 114.334 117.411 -3.077 17558
1318 1 10 . 1 1 23 23 SER HA H 23 3.975 3.975 4.316 -0.341 17558
1319 1 10 . 1 1 23 23 SER C C 23 175.751 175.751 176.603 -0.852 17558
1320 1 10 . 1 1 23 23 SER CA C 23 60.879 60.879 60.662 0.217 17558
1321 1 10 . 1 1 23 23 SER CB C 23 63.977 63.977 63.261 0.716 17558
1322 1 10 . 1 1 23 23 SER H H 23 7.893 7.893 8.626 -0.733 17558
1323 1 10 . 1 1 24 24 ALA N N 24 123.192 123.192 125.184 -1.992 17558
1324 1 10 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.097 0.078 17558
1325 1 10 . 1 1 24 24 ALA C C 24 178.717 178.717 179.265 -0.548 17558
1326 1 10 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.831 -0.218 17558
1327 1 10 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.490 1.033 17558
1328 1 10 . 1 1 24 24 ALA H H 24 7.579 7.579 8.553 -0.974 17558
1329 1 10 . 1 1 25 25 MET N N 25 115.187 115.187 117.265 -2.078 17558
1330 1 10 . 1 1 25 25 MET HA H 25 4.418 4.418 4.278 0.140 17558
1331 1 10 . 1 1 25 25 MET C C 25 176.479 176.479 178.125 -1.646 17558
1332 1 10 . 1 1 25 25 MET CA C 25 56.754 56.754 57.008 -0.254 17558
1333 1 10 . 1 1 25 25 MET CB C 25 28.852 28.852 33.044 -4.192 17558
1334 1 10 . 1 1 25 25 MET H H 25 7.905 7.905 7.797 0.108 17558
1335 1 10 . 1 1 26 26 SER N N 26 124.236 124.236 114.377 9.859 17558
1336 1 10 . 1 1 26 26 SER HA H 26 4.419 4.419 4.336 0.083 17558
1337 1 10 . 1 1 26 26 SER C C 26 173.350 173.350 175.076 -1.726 17558
1338 1 10 . 1 1 26 26 SER CA C 26 59.343 59.343 60.166 -0.823 17558
1339 1 10 . 1 1 26 26 SER CB C 26 62.573 62.573 63.780 -1.207 17558
1340 1 10 . 1 1 26 26 SER H H 26 7.710 7.710 7.606 0.104 17558
1341 1 11 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.644 -0.331 17558
1342 1 11 . 1 1 2 2 HIS C C 2 177.032 177.032 176.671 0.361 17558
1343 1 11 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.180 2.173 17558
1344 1 11 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.803 0.753 17558
1345 1 11 . 1 1 3 3 MET N N 3 118.797 118.797 117.629 1.168 17558
1346 1 11 . 1 1 3 3 MET HA H 3 4.116 4.116 4.331 -0.215 17558
1347 1 11 . 1 1 3 3 MET C C 3 177.497 177.497 177.631 -0.134 17558
1348 1 11 . 1 1 3 3 MET CA C 3 59.361 59.361 57.856 1.505 17558
1349 1 11 . 1 1 3 3 MET CB C 3 33.826 33.826 31.498 2.328 17558
1350 1 11 . 1 1 3 3 MET H H 3 8.055 8.055 8.128 -0.073 17558
1351 1 11 . 1 1 4 4 ALA N N 4 120.454 120.454 122.047 -1.593 17558
1352 1 11 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.181 -0.216 17558
1353 1 11 . 1 1 4 4 ALA C C 4 178.892 178.892 179.755 -0.863 17558
1354 1 11 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.931 1.120 17558
1355 1 11 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.998 0.806 17558
1356 1 11 . 1 1 4 4 ALA H H 4 8.279 8.279 7.659 0.620 17558
1357 1 11 . 1 1 5 5 GLY N N 5 121.085 121.085 106.900 14.185 17558
1358 1 11 . 1 1 5 5 GLY C C 5 174.212 174.212 175.762 -1.550 17558
1359 1 11 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.319 1.651 17558
1360 1 11 . 1 1 5 5 GLY H H 5 8.478 8.478 8.161 0.317 17558
1361 1 11 . 1 1 6 6 ALA N N 6 123.200 123.200 124.081 -0.881 17558
1362 1 11 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.200 0.045 17558
1363 1 11 . 1 1 6 6 ALA C C 6 179.297 179.297 179.534 -0.237 17558
1364 1 11 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.809 1.492 17558
1365 1 11 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.445 1.022 17558
1366 1 11 . 1 1 6 6 ALA H H 6 8.005 8.005 8.210 -0.205 17558
1367 1 11 . 1 1 7 7 ALA N N 7 119.489 119.489 120.777 -1.288 17558
1368 1 11 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.107 -0.244 17558
1369 1 11 . 1 1 7 7 ALA C C 7 178.133 178.133 179.451 -1.318 17558
1370 1 11 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.727 0.993 17558
1371 1 11 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.379 0.406 17558
1372 1 11 . 1 1 7 7 ALA H H 7 8.315 8.315 8.009 0.306 17558
1373 1 11 . 1 1 8 8 ALA N N 8 118.612 118.612 121.296 -2.684 17558
1374 1 11 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.060 -0.072 17558
1375 1 11 . 1 1 8 8 ALA C C 8 178.857 178.857 179.509 -0.652 17558
1376 1 11 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.914 1.175 17558
1377 1 11 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.373 0.264 17558
1378 1 11 . 1 1 8 8 ALA H H 8 8.294 8.294 7.976 0.318 17558
1379 1 11 . 1 1 9 9 ALA N N 9 118.968 118.968 120.222 -1.254 17558
1380 1 11 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.147 -0.286 17558
1381 1 11 . 1 1 9 9 ALA C C 9 179.548 179.548 179.840 -0.292 17558
1382 1 11 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.900 0.990 17558
1383 1 11 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.531 0.455 17558
1384 1 11 . 1 1 9 9 ALA H H 9 8.029 8.029 8.201 -0.172 17558
1385 1 11 . 1 1 10 10 GLY N N 10 120.112 120.112 106.194 13.918 17558
1386 1 11 . 1 1 10 10 GLY C C 10 175.031 175.031 175.788 -0.757 17558
1387 1 11 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.357 1.339 17558
1388 1 11 . 1 1 10 10 GLY H H 10 8.386 8.386 8.192 0.194 17558
1389 1 11 . 1 1 11 11 ALA N N 11 123.234 123.234 125.177 -1.943 17558
1390 1 11 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.186 -0.027 17558
1391 1 11 . 1 1 11 11 ALA C C 11 179.909 179.909 179.737 0.172 17558
1392 1 11 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.779 0.845 17558
1393 1 11 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.424 -0.265 17558
1394 1 11 . 1 1 11 11 ALA H H 11 8.392 8.392 8.085 0.307 17558
1395 1 11 . 1 1 12 12 VAL N N 12 117.423 117.423 115.931 1.492 17558
1396 1 11 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.656 -0.117 17558
1397 1 11 . 1 1 12 12 VAL C C 12 176.877 176.877 177.822 -0.945 17558
1398 1 11 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.938 1.745 17558
1399 1 11 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.469 0.601 17558
1400 1 11 . 1 1 12 12 VAL H H 12 7.932 7.932 7.747 0.185 17558
1401 1 11 . 1 1 13 13 VAL N N 13 117.519 117.519 119.790 -2.271 17558
1402 1 11 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.663 -0.164 17558
1403 1 11 . 1 1 13 13 VAL C C 13 177.998 177.998 178.240 -0.242 17558
1404 1 11 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.584 1.368 17558
1405 1 11 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.034 1.182 17558
1406 1 11 . 1 1 13 13 VAL H H 13 7.679 7.679 7.867 -0.188 17558
1407 1 11 . 1 1 14 14 GLY N N 14 122.695 122.695 106.932 15.763 17558
1408 1 11 . 1 1 14 14 GLY C C 14 175.640 175.640 176.217 -0.577 17558
1409 1 11 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.249 0.244 17558
1410 1 11 . 1 1 14 14 GLY H H 14 9.134 9.134 8.269 0.865 17558
1411 1 11 . 1 1 15 15 GLY N N 15 128.047 128.047 110.758 17.289 17558
1412 1 11 . 1 1 15 15 GLY C C 15 175.562 175.562 176.165 -0.603 17558
1413 1 11 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.554 1.322 17558
1414 1 11 . 1 1 15 15 GLY H H 15 8.635 8.635 7.813 0.822 17558
1415 1 11 . 1 1 16 16 LEU N N 16 121.900 121.900 120.291 1.609 17558
1416 1 11 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.428 -0.332 17558
1417 1 11 . 1 1 16 16 LEU C C 16 179.090 179.090 179.020 0.070 17558
1418 1 11 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.697 1.213 17558
1419 1 11 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.208 1.335 17558
1420 1 11 . 1 1 16 16 LEU H H 16 8.137 8.137 7.847 0.290 17558
1421 1 11 . 1 1 17 17 GLY N N 17 122.360 122.360 107.401 14.959 17558
1422 1 11 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
1423 1 11 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.108 1.551 17558
1424 1 11 . 1 1 17 17 GLY H H 17 8.412 8.412 8.728 -0.316 17558
1425 1 11 . 1 1 18 18 GLY N N 18 126.401 126.401 109.074 17.327 17558
1426 1 11 . 1 1 18 18 GLY C C 18 175.418 175.418 174.882 0.536 17558
1427 1 11 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.473 1.752 17558
1428 1 11 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
1429 1 11 . 1 1 19 19 TYR N N 19 123.066 123.066 123.305 -0.239 17558
1430 1 11 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.296 -0.203 17558
1431 1 11 . 1 1 19 19 TYR C C 19 179.066 179.066 177.410 1.656 17558
1432 1 11 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.129 3.551 17558
1433 1 11 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.579 1.202 17558
1434 1 11 . 1 1 19 19 TYR H H 19 8.690 8.690 7.716 0.974 17558
1435 1 11 . 1 1 20 20 MET N N 20 119.540 119.540 117.760 1.780 17558
1436 1 11 . 1 1 20 20 MET HA H 20 3.980 3.980 3.674 0.306 17558
1437 1 11 . 1 1 20 20 MET C C 20 178.549 178.549 178.270 0.279 17558
1438 1 11 . 1 1 20 20 MET CA C 20 59.630 59.630 59.360 0.270 17558
1439 1 11 . 1 1 20 20 MET CB C 20 32.807 32.807 31.712 1.095 17558
1440 1 11 . 1 1 20 20 MET H H 20 8.367 8.367 7.742 0.625 17558
1441 1 11 . 1 1 21 21 LEU N N 21 119.740 119.740 119.422 0.318 17558
1442 1 11 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.159 -0.048 17558
1443 1 11 . 1 1 21 21 LEU C C 21 178.592 178.592 179.427 -0.835 17558
1444 1 11 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.995 0.796 17558
1445 1 11 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.163 1.837 17558
1446 1 11 . 1 1 21 21 LEU H H 21 8.329 8.329 7.940 0.389 17558
1447 1 11 . 1 1 22 22 GLY N N 22 123.469 123.469 106.653 16.816 17558
1448 1 11 . 1 1 22 22 GLY C C 22 174.857 174.857 176.063 -1.206 17558
1449 1 11 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.156 0.537 17558
1450 1 11 . 1 1 22 22 GLY H H 22 9.027 9.027 7.674 1.353 17558
1451 1 11 . 1 1 23 23 SER N N 23 114.334 114.334 117.385 -3.051 17558
1452 1 11 . 1 1 23 23 SER HA H 23 3.975 3.975 4.314 -0.339 17558
1453 1 11 . 1 1 23 23 SER C C 23 175.751 175.751 176.602 -0.851 17558
1454 1 11 . 1 1 23 23 SER CA C 23 60.879 60.879 60.673 0.206 17558
1455 1 11 . 1 1 23 23 SER CB C 23 63.977 63.977 63.256 0.721 17558
1456 1 11 . 1 1 23 23 SER H H 23 7.893 7.893 8.621 -0.728 17558
1457 1 11 . 1 1 24 24 ALA N N 24 123.192 123.192 125.133 -1.941 17558
1458 1 11 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.097 0.078 17558
1459 1 11 . 1 1 24 24 ALA C C 24 178.717 178.717 179.279 -0.562 17558
1460 1 11 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.827 -0.214 17558
1461 1 11 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.489 1.034 17558
1462 1 11 . 1 1 24 24 ALA H H 24 7.579 7.579 8.547 -0.968 17558
1463 1 11 . 1 1 25 25 MET N N 25 115.187 115.187 117.727 -2.540 17558
1464 1 11 . 1 1 25 25 MET HA H 25 4.418 4.418 4.373 0.045 17558
1465 1 11 . 1 1 25 25 MET C C 25 176.479 176.479 178.280 -1.801 17558
1466 1 11 . 1 1 25 25 MET CA C 25 56.754 56.754 57.029 -0.275 17558
1467 1 11 . 1 1 25 25 MET CB C 25 28.852 28.852 33.047 -4.195 17558
1468 1 11 . 1 1 25 25 MET H H 25 7.905 7.905 7.840 0.065 17558
1469 1 11 . 1 1 26 26 SER N N 26 124.236 124.236 114.363 9.873 17558
1470 1 11 . 1 1 26 26 SER HA H 26 4.419 4.419 4.361 0.058 17558
1471 1 11 . 1 1 26 26 SER C C 26 173.350 173.350 174.738 -1.388 17558
1472 1 11 . 1 1 26 26 SER CA C 26 59.343 59.343 60.019 -0.676 17558
1473 1 11 . 1 1 26 26 SER CB C 26 62.573 62.573 64.081 -1.508 17558
1474 1 11 . 1 1 26 26 SER H H 26 7.710 7.710 7.698 0.012 17558
1475 1 12 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.510 -0.197 17558
1476 1 12 . 1 1 2 2 HIS C C 2 177.032 177.032 176.078 0.954 17558
1477 1 12 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.434 2.919 17558
1478 1 12 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.538 1.018 17558
1479 1 12 . 1 1 3 3 MET N N 3 118.797 118.797 116.786 2.011 17558
1480 1 12 . 1 1 3 3 MET HA H 3 4.116 4.116 4.241 -0.125 17558
1481 1 12 . 1 1 3 3 MET C C 3 177.497 177.497 177.791 -0.294 17558
1482 1 12 . 1 1 3 3 MET CA C 3 59.361 59.361 57.835 1.526 17558
1483 1 12 . 1 1 3 3 MET CB C 3 33.826 33.826 31.596 2.230 17558
1484 1 12 . 1 1 3 3 MET H H 3 8.055 8.055 8.127 -0.072 17558
1485 1 12 . 1 1 4 4 ALA N N 4 120.454 120.454 122.009 -1.555 17558
1486 1 12 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.162 -0.197 17558
1487 1 12 . 1 1 4 4 ALA C C 4 178.892 178.892 179.710 -0.818 17558
1488 1 12 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.917 1.134 17558
1489 1 12 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.013 0.791 17558
1490 1 12 . 1 1 4 4 ALA H H 4 8.279 8.279 7.657 0.622 17558
1491 1 12 . 1 1 5 5 GLY N N 5 121.085 121.085 106.813 14.272 17558
1492 1 12 . 1 1 5 5 GLY C C 5 174.212 174.212 175.600 -1.388 17558
1493 1 12 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.237 1.733 17558
1494 1 12 . 1 1 5 5 GLY H H 5 8.478 8.478 8.105 0.373 17558
1495 1 12 . 1 1 6 6 ALA N N 6 123.200 123.200 123.814 -0.614 17558
1496 1 12 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.034 0.211 17558
1497 1 12 . 1 1 6 6 ALA C C 6 179.297 179.297 179.437 -0.140 17558
1498 1 12 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.644 1.657 17558
1499 1 12 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.237 1.230 17558
1500 1 12 . 1 1 6 6 ALA H H 6 8.005 8.005 7.870 0.135 17558
1501 1 12 . 1 1 7 7 ALA N N 7 119.489 119.489 120.691 -1.202 17558
1502 1 12 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.064 -0.201 17558
1503 1 12 . 1 1 7 7 ALA C C 7 178.133 178.133 179.416 -1.283 17558
1504 1 12 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.685 1.035 17558
1505 1 12 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.337 0.448 17558
1506 1 12 . 1 1 7 7 ALA H H 7 8.315 8.315 7.916 0.399 17558
1507 1 12 . 1 1 8 8 ALA N N 8 118.612 118.612 121.259 -2.647 17558
1508 1 12 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.040 -0.052 17558
1509 1 12 . 1 1 8 8 ALA C C 8 178.857 178.857 179.485 -0.628 17558
1510 1 12 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.891 1.198 17558
1511 1 12 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.352 0.285 17558
1512 1 12 . 1 1 8 8 ALA H H 8 8.294 8.294 7.928 0.366 17558
1513 1 12 . 1 1 9 9 ALA N N 9 118.968 118.968 120.188 -1.220 17558
1514 1 12 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.129 -0.268 17558
1515 1 12 . 1 1 9 9 ALA C C 9 179.548 179.548 179.817 -0.269 17558
1516 1 12 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.875 1.015 17558
1517 1 12 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.500 0.486 17558
1518 1 12 . 1 1 9 9 ALA H H 9 8.029 8.029 8.157 -0.128 17558
1519 1 12 . 1 1 10 10 GLY N N 10 120.112 120.112 106.170 13.942 17558
1520 1 12 . 1 1 10 10 GLY C C 10 175.031 175.031 175.771 -0.740 17558
1521 1 12 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.336 1.360 17558
1522 1 12 . 1 1 10 10 GLY H H 10 8.386 8.386 8.153 0.233 17558
1523 1 12 . 1 1 11 11 ALA N N 11 123.234 123.234 124.929 -1.695 17558
1524 1 12 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.205 -0.046 17558
1525 1 12 . 1 1 11 11 ALA C C 11 179.909 179.909 179.842 0.067 17558
1526 1 12 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.936 0.688 17558
1527 1 12 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.454 -0.296 17558
1528 1 12 . 1 1 11 11 ALA H H 11 8.392 8.392 8.126 0.266 17558
1529 1 12 . 1 1 12 12 VAL N N 12 117.423 117.423 116.133 1.290 17558
1530 1 12 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.705 -0.166 17558
1531 1 12 . 1 1 12 12 VAL C C 12 176.877 176.877 177.744 -0.867 17558
1532 1 12 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.827 1.856 17558
1533 1 12 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.682 1.388 17558
1534 1 12 . 1 1 12 12 VAL H H 12 7.932 7.932 7.800 0.132 17558
1535 1 12 . 1 1 13 13 VAL N N 13 117.519 117.519 120.487 -2.968 17558
1536 1 12 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.617 -0.118 17558
1537 1 12 . 1 1 13 13 VAL C C 13 177.998 177.998 178.062 -0.064 17558
1538 1 12 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.961 0.991 17558
1539 1 12 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.232 0.984 17558
1540 1 12 . 1 1 13 13 VAL H H 13 7.679 7.679 7.895 -0.216 17558
1541 1 12 . 1 1 14 14 GLY N N 14 122.695 122.695 106.683 16.012 17558
1542 1 12 . 1 1 14 14 GLY C C 14 175.640 175.640 176.177 -0.537 17558
1543 1 12 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.226 0.267 17558
1544 1 12 . 1 1 14 14 GLY H H 14 9.134 9.134 8.173 0.961 17558
1545 1 12 . 1 1 15 15 GLY N N 15 128.047 128.047 110.751 17.296 17558
1546 1 12 . 1 1 15 15 GLY C C 15 175.562 175.562 176.161 -0.599 17558
1547 1 12 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.547 1.329 17558
1548 1 12 . 1 1 15 15 GLY H H 15 8.635 8.635 7.806 0.829 17558
1549 1 12 . 1 1 16 16 LEU N N 16 121.900 121.900 120.290 1.610 17558
1550 1 12 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
1551 1 12 . 1 1 16 16 LEU C C 16 179.090 179.090 179.016 0.074 17558
1552 1 12 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
1553 1 12 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
1554 1 12 . 1 1 16 16 LEU H H 16 8.137 8.137 7.843 0.294 17558
1555 1 12 . 1 1 17 17 GLY N N 17 122.360 122.360 107.398 14.962 17558
1556 1 12 . 1 1 17 17 GLY C C 17 175.280 175.280 175.888 -0.608 17558
1557 1 12 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.106 1.553 17558
1558 1 12 . 1 1 17 17 GLY H H 17 8.412 8.412 8.723 -0.311 17558
1559 1 12 . 1 1 18 18 GLY N N 18 126.401 126.401 109.069 17.332 17558
1560 1 12 . 1 1 18 18 GLY C C 18 175.418 175.418 174.879 0.539 17558
1561 1 12 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.468 1.757 17558
1562 1 12 . 1 1 18 18 GLY H H 18 9.719 9.719 7.983 1.736 17558
1563 1 12 . 1 1 19 19 TYR N N 19 123.066 123.066 123.303 -0.237 17558
1564 1 12 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
1565 1 12 . 1 1 19 19 TYR C C 19 179.066 179.066 177.407 1.659 17558
1566 1 12 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.128 3.552 17558
1567 1 12 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
1568 1 12 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
1569 1 12 . 1 1 20 20 MET N N 20 119.540 119.540 117.757 1.783 17558
1570 1 12 . 1 1 20 20 MET HA H 20 3.980 3.980 3.673 0.307 17558
1571 1 12 . 1 1 20 20 MET C C 20 178.549 178.549 178.271 0.278 17558
1572 1 12 . 1 1 20 20 MET CA C 20 59.630 59.630 59.355 0.276 17558
1573 1 12 . 1 1 20 20 MET CB C 20 32.807 32.807 31.708 1.099 17558
1574 1 12 . 1 1 20 20 MET H H 20 8.367 8.367 7.739 0.628 17558
1575 1 12 . 1 1 21 21 LEU N N 21 119.740 119.740 119.490 0.250 17558
1576 1 12 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.081 0.030 17558
1577 1 12 . 1 1 21 21 LEU C C 21 178.592 178.592 179.453 -0.861 17558
1578 1 12 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.866 0.925 17558
1579 1 12 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.111 1.889 17558
1580 1 12 . 1 1 21 21 LEU H H 21 8.329 8.329 7.948 0.381 17558
1581 1 12 . 1 1 22 22 GLY N N 22 123.469 123.469 106.690 16.779 17558
1582 1 12 . 1 1 22 22 GLY C C 22 174.857 174.857 176.079 -1.222 17558
1583 1 12 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.196 0.497 17558
1584 1 12 . 1 1 22 22 GLY H H 22 9.027 9.027 7.673 1.354 17558
1585 1 12 . 1 1 23 23 SER N N 23 114.334 114.334 117.337 -3.003 17558
1586 1 12 . 1 1 23 23 SER HA H 23 3.975 3.975 4.308 -0.333 17558
1587 1 12 . 1 1 23 23 SER C C 23 175.751 175.751 176.595 -0.844 17558
1588 1 12 . 1 1 23 23 SER CA C 23 60.879 60.879 60.830 0.050 17558
1589 1 12 . 1 1 23 23 SER CB C 23 63.977 63.977 63.262 0.715 17558
1590 1 12 . 1 1 23 23 SER H H 23 7.893 7.893 8.606 -0.713 17558
1591 1 12 . 1 1 24 24 ALA N N 24 123.192 123.192 125.040 -1.848 17558
1592 1 12 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.099 0.076 17558
1593 1 12 . 1 1 24 24 ALA C C 24 178.717 178.717 179.282 -0.565 17558
1594 1 12 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.743 -0.130 17558
1595 1 12 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.391 1.132 17558
1596 1 12 . 1 1 24 24 ALA H H 24 7.579 7.579 8.553 -0.974 17558
1597 1 12 . 1 1 25 25 MET N N 25 115.187 115.187 117.219 -2.032 17558
1598 1 12 . 1 1 25 25 MET HA H 25 4.418 4.418 4.240 0.178 17558
1599 1 12 . 1 1 25 25 MET C C 25 176.479 176.479 178.220 -1.741 17558
1600 1 12 . 1 1 25 25 MET CA C 25 56.754 56.754 57.751 -0.997 17558
1601 1 12 . 1 1 25 25 MET CB C 25 28.852 28.852 33.197 -4.345 17558
1602 1 12 . 1 1 25 25 MET H H 25 7.905 7.905 7.827 0.078 17558
1603 1 12 . 1 1 26 26 SER N N 26 124.236 124.236 114.274 9.962 17558
1604 1 12 . 1 1 26 26 SER HA H 26 4.419 4.419 4.318 0.101 17558
1605 1 12 . 1 1 26 26 SER C C 26 173.350 173.350 175.088 -1.738 17558
1606 1 12 . 1 1 26 26 SER CA C 26 59.343 59.343 59.992 -0.649 17558
1607 1 12 . 1 1 26 26 SER CB C 26 62.573 62.573 63.768 -1.195 17558
1608 1 12 . 1 1 26 26 SER H H 26 7.710 7.710 7.594 0.116 17558
1609 1 13 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.577 -0.264 17558
1610 1 13 . 1 1 2 2 HIS C C 2 177.032 177.032 176.223 0.809 17558
1611 1 13 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.169 2.184 17558
1612 1 13 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.624 0.932 17558
1613 1 13 . 1 1 3 3 MET N N 3 118.797 118.797 118.504 0.293 17558
1614 1 13 . 1 1 3 3 MET HA H 3 4.116 4.116 4.385 -0.269 17558
1615 1 13 . 1 1 3 3 MET C C 3 177.497 177.497 177.814 -0.317 17558
1616 1 13 . 1 1 3 3 MET CA C 3 59.361 59.361 57.649 1.712 17558
1617 1 13 . 1 1 3 3 MET CB C 3 33.826 33.826 31.395 2.432 17558
1618 1 13 . 1 1 3 3 MET H H 3 8.055 8.055 7.896 0.159 17558
1619 1 13 . 1 1 4 4 ALA N N 4 120.454 120.454 122.049 -1.595 17558
1620 1 13 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.186 -0.221 17558
1621 1 13 . 1 1 4 4 ALA C C 4 178.892 178.892 179.765 -0.873 17558
1622 1 13 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.945 1.106 17558
1623 1 13 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.014 0.790 17558
1624 1 13 . 1 1 4 4 ALA H H 4 8.279 8.279 7.658 0.621 17558
1625 1 13 . 1 1 5 5 GLY N N 5 121.085 121.085 106.916 14.169 17558
1626 1 13 . 1 1 5 5 GLY C C 5 174.212 174.212 175.758 -1.546 17558
1627 1 13 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.320 1.650 17558
1628 1 13 . 1 1 5 5 GLY H H 5 8.478 8.478 8.187 0.291 17558
1629 1 13 . 1 1 6 6 ALA N N 6 123.200 123.200 124.080 -0.880 17558
1630 1 13 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.193 0.052 17558
1631 1 13 . 1 1 6 6 ALA C C 6 179.297 179.297 179.536 -0.239 17558
1632 1 13 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.810 1.491 17558
1633 1 13 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.459 1.008 17558
1634 1 13 . 1 1 6 6 ALA H H 6 8.005 8.005 8.217 -0.212 17558
1635 1 13 . 1 1 7 7 ALA N N 7 119.489 119.489 120.781 -1.292 17558
1636 1 13 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.112 -0.249 17558
1637 1 13 . 1 1 7 7 ALA C C 7 178.133 178.133 179.451 -1.318 17558
1638 1 13 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.732 0.988 17558
1639 1 13 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.384 0.400 17558
1640 1 13 . 1 1 7 7 ALA H H 7 8.315 8.315 8.018 0.297 17558
1641 1 13 . 1 1 8 8 ALA N N 8 118.612 118.612 121.307 -2.695 17558
1642 1 13 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.061 -0.073 17558
1643 1 13 . 1 1 8 8 ALA C C 8 178.857 178.857 179.505 -0.648 17558
1644 1 13 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.919 1.171 17558
1645 1 13 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.372 0.265 17558
1646 1 13 . 1 1 8 8 ALA H H 8 8.294 8.294 7.978 0.316 17558
1647 1 13 . 1 1 9 9 ALA N N 9 118.968 118.968 120.233 -1.265 17558
1648 1 13 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.140 -0.279 17558
1649 1 13 . 1 1 9 9 ALA C C 9 179.548 179.548 179.847 -0.299 17558
1650 1 13 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.908 0.982 17558
1651 1 13 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.517 0.469 17558
1652 1 13 . 1 1 9 9 ALA H H 9 8.029 8.029 8.202 -0.173 17558
1653 1 13 . 1 1 10 10 GLY N N 10 120.112 120.112 106.184 13.928 17558
1654 1 13 . 1 1 10 10 GLY C C 10 175.031 175.031 175.792 -0.761 17558
1655 1 13 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.345 1.351 17558
1656 1 13 . 1 1 10 10 GLY H H 10 8.386 8.386 8.178 0.208 17558
1657 1 13 . 1 1 11 11 ALA N N 11 123.234 123.234 124.969 -1.735 17558
1658 1 13 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.217 -0.058 17558
1659 1 13 . 1 1 11 11 ALA C C 11 179.909 179.909 179.855 0.054 17558
1660 1 13 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.956 0.668 17558
1661 1 13 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.470 -0.312 17558
1662 1 13 . 1 1 11 11 ALA H H 11 8.392 8.392 8.151 0.241 17558
1663 1 13 . 1 1 12 12 VAL N N 12 117.423 117.423 116.330 1.093 17558
1664 1 13 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.758 -0.219 17558
1665 1 13 . 1 1 12 12 VAL C C 12 176.877 176.877 177.755 -0.878 17558
1666 1 13 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.856 1.827 17558
1667 1 13 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.721 1.349 17558
1668 1 13 . 1 1 12 12 VAL H H 12 7.932 7.932 7.840 0.092 17558
1669 1 13 . 1 1 13 13 VAL N N 13 117.519 117.519 119.957 -2.438 17558
1670 1 13 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.674 -0.175 17558
1671 1 13 . 1 1 13 13 VAL C C 13 177.998 177.998 178.290 -0.292 17558
1672 1 13 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.712 1.240 17558
1673 1 13 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.790 1.426 17558
1674 1 13 . 1 1 13 13 VAL H H 13 7.679 7.679 7.928 -0.249 17558
1675 1 13 . 1 1 14 14 GLY N N 14 122.695 122.695 106.928 15.767 17558
1676 1 13 . 1 1 14 14 GLY C C 14 175.640 175.640 176.220 -0.580 17558
1677 1 13 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.248 0.245 17558
1678 1 13 . 1 1 14 14 GLY H H 14 9.134 9.134 8.272 0.862 17558
1679 1 13 . 1 1 15 15 GLY N N 15 128.047 128.047 110.756 17.291 17558
1680 1 13 . 1 1 15 15 GLY C C 15 175.562 175.562 176.166 -0.604 17558
1681 1 13 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.552 1.324 17558
1682 1 13 . 1 1 15 15 GLY H H 15 8.635 8.635 7.812 0.823 17558
1683 1 13 . 1 1 16 16 LEU N N 16 121.900 121.900 120.293 1.607 17558
1684 1 13 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.427 -0.331 17558
1685 1 13 . 1 1 16 16 LEU C C 16 179.090 179.090 179.019 0.071 17558
1686 1 13 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.699 1.211 17558
1687 1 13 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.206 1.337 17558
1688 1 13 . 1 1 16 16 LEU H H 16 8.137 8.137 7.853 0.284 17558
1689 1 13 . 1 1 17 17 GLY N N 17 122.360 122.360 107.404 14.956 17558
1690 1 13 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
1691 1 13 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.111 1.548 17558
1692 1 13 . 1 1 17 17 GLY H H 17 8.412 8.412 8.726 -0.314 17558
1693 1 13 . 1 1 18 18 GLY N N 18 126.401 126.401 109.073 17.328 17558
1694 1 13 . 1 1 18 18 GLY C C 18 175.418 175.418 174.882 0.536 17558
1695 1 13 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.473 1.752 17558
1696 1 13 . 1 1 18 18 GLY H H 18 9.719 9.719 7.987 1.732 17558
1697 1 13 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
1698 1 13 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.296 -0.203 17558
1699 1 13 . 1 1 19 19 TYR C C 19 179.066 179.066 177.411 1.655 17558
1700 1 13 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.129 3.551 17558
1701 1 13 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.578 1.203 17558
1702 1 13 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
1703 1 13 . 1 1 20 20 MET N N 20 119.540 119.540 117.779 1.761 17558
1704 1 13 . 1 1 20 20 MET HA H 20 3.980 3.980 3.675 0.305 17558
1705 1 13 . 1 1 20 20 MET C C 20 178.549 178.549 178.307 0.242 17558
1706 1 13 . 1 1 20 20 MET CA C 20 59.630 59.630 59.401 0.229 17558
1707 1 13 . 1 1 20 20 MET CB C 20 32.807 32.807 31.702 1.105 17558
1708 1 13 . 1 1 20 20 MET H H 20 8.367 8.367 7.737 0.630 17558
1709 1 13 . 1 1 21 21 LEU N N 21 119.740 119.740 119.404 0.336 17558
1710 1 13 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.124 -0.013 17558
1711 1 13 . 1 1 21 21 LEU C C 21 178.592 178.592 179.396 -0.804 17558
1712 1 13 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.302 0.489 17558
1713 1 13 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.507 1.493 17558
1714 1 13 . 1 1 21 21 LEU H H 21 8.329 8.329 7.941 0.388 17558
1715 1 13 . 1 1 22 22 GLY N N 22 123.469 123.469 106.664 16.805 17558
1716 1 13 . 1 1 22 22 GLY C C 22 174.857 174.857 176.061 -1.204 17558
1717 1 13 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.106 0.587 17558
1718 1 13 . 1 1 22 22 GLY H H 22 9.027 9.027 7.694 1.333 17558
1719 1 13 . 1 1 23 23 SER N N 23 114.334 114.334 117.592 -3.258 17558
1720 1 13 . 1 1 23 23 SER HA H 23 3.975 3.975 4.329 -0.354 17558
1721 1 13 . 1 1 23 23 SER C C 23 175.751 175.751 176.600 -0.849 17558
1722 1 13 . 1 1 23 23 SER CA C 23 60.879 60.879 60.922 -0.043 17558
1723 1 13 . 1 1 23 23 SER CB C 23 63.977 63.977 63.321 0.656 17558
1724 1 13 . 1 1 23 23 SER H H 23 7.893 7.893 8.633 -0.740 17558
1725 1 13 . 1 1 24 24 ALA N N 24 123.192 123.192 125.273 -2.081 17558
1726 1 13 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.099 0.076 17558
1727 1 13 . 1 1 24 24 ALA C C 24 178.717 178.717 179.252 -0.535 17558
1728 1 13 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.803 -0.190 17558
1729 1 13 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.442 1.081 17558
1730 1 13 . 1 1 24 24 ALA H H 24 7.579 7.579 8.554 -0.975 17558
1731 1 13 . 1 1 25 25 MET N N 25 115.187 115.187 117.276 -2.089 17558
1732 1 13 . 1 1 25 25 MET HA H 25 4.418 4.418 4.280 0.138 17558
1733 1 13 . 1 1 25 25 MET C C 25 176.479 176.479 178.240 -1.761 17558
1734 1 13 . 1 1 25 25 MET CA C 25 56.754 56.754 57.141 -0.387 17558
1735 1 13 . 1 1 25 25 MET CB C 25 28.852 28.852 33.070 -4.218 17558
1736 1 13 . 1 1 25 25 MET H H 25 7.905 7.905 7.748 0.157 17558
1737 1 13 . 1 1 26 26 SER N N 26 124.236 124.236 114.223 10.013 17558
1738 1 13 . 1 1 26 26 SER HA H 26 4.419 4.419 4.372 0.047 17558
1739 1 13 . 1 1 26 26 SER C C 26 173.350 173.350 175.104 -1.754 17558
1740 1 13 . 1 1 26 26 SER CA C 26 59.343 59.343 60.175 -0.832 17558
1741 1 13 . 1 1 26 26 SER CB C 26 62.573 62.573 63.836 -1.263 17558
1742 1 13 . 1 1 26 26 SER H H 26 7.710 7.710 7.601 0.109 17558
1743 1 14 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.711 -0.398 17558
1744 1 14 . 1 1 2 2 HIS C C 2 177.032 177.032 176.170 0.862 17558
1745 1 14 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.511 1.841 17558
1746 1 14 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.046 0.510 17558
1747 1 14 . 1 1 3 3 MET N N 3 118.797 118.797 117.006 1.791 17558
1748 1 14 . 1 1 3 3 MET HA H 3 4.116 4.116 4.299 -0.183 17558
1749 1 14 . 1 1 3 3 MET C C 3 177.497 177.497 177.581 -0.084 17558
1750 1 14 . 1 1 3 3 MET CA C 3 59.361 59.361 57.730 1.631 17558
1751 1 14 . 1 1 3 3 MET CB C 3 33.826 33.826 31.644 2.182 17558
1752 1 14 . 1 1 3 3 MET H H 3 8.055 8.055 8.142 -0.087 17558
1753 1 14 . 1 1 4 4 ALA N N 4 120.454 120.454 121.990 -1.536 17558
1754 1 14 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.143 -0.178 17558
1755 1 14 . 1 1 4 4 ALA C C 4 178.892 178.892 179.664 -0.772 17558
1756 1 14 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.876 1.175 17558
1757 1 14 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.970 0.834 17558
1758 1 14 . 1 1 4 4 ALA H H 4 8.279 8.279 7.616 0.663 17558
1759 1 14 . 1 1 5 5 GLY N N 5 121.085 121.085 106.715 14.370 17558
1760 1 14 . 1 1 5 5 GLY C C 5 174.212 174.212 175.561 -1.349 17558
1761 1 14 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.106 1.864 17558
1762 1 14 . 1 1 5 5 GLY H H 5 8.478 8.478 7.964 0.514 17558
1763 1 14 . 1 1 6 6 ALA N N 6 123.200 123.200 123.839 -0.639 17558
1764 1 14 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.141 0.104 17558
1765 1 14 . 1 1 6 6 ALA C C 6 179.297 179.297 179.480 -0.183 17558
1766 1 14 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.740 1.560 17558
1767 1 14 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.426 1.041 17558
1768 1 14 . 1 1 6 6 ALA H H 6 8.005 8.005 7.895 0.110 17558
1769 1 14 . 1 1 7 7 ALA N N 7 119.489 119.489 120.717 -1.228 17558
1770 1 14 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.086 -0.223 17558
1771 1 14 . 1 1 7 7 ALA C C 7 178.133 178.133 179.420 -1.287 17558
1772 1 14 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.704 1.016 17558
1773 1 14 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.348 0.437 17558
1774 1 14 . 1 1 7 7 ALA H H 7 8.315 8.315 7.938 0.377 17558
1775 1 14 . 1 1 8 8 ALA N N 8 118.612 118.612 121.262 -2.650 17558
1776 1 14 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.036 -0.048 17558
1777 1 14 . 1 1 8 8 ALA C C 8 178.857 178.857 179.478 -0.621 17558
1778 1 14 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.888 1.202 17558
1779 1 14 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.334 0.303 17558
1780 1 14 . 1 1 8 8 ALA H H 8 8.294 8.294 7.922 0.372 17558
1781 1 14 . 1 1 9 9 ALA N N 9 118.968 118.968 120.201 -1.233 17558
1782 1 14 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.125 -0.264 17558
1783 1 14 . 1 1 9 9 ALA C C 9 179.548 179.548 179.835 -0.287 17558
1784 1 14 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.889 1.001 17558
1785 1 14 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.502 0.484 17558
1786 1 14 . 1 1 9 9 ALA H H 9 8.029 8.029 8.158 -0.129 17558
1787 1 14 . 1 1 10 10 GLY N N 10 120.112 120.112 106.176 13.936 17558
1788 1 14 . 1 1 10 10 GLY C C 10 175.031 175.031 175.784 -0.753 17558
1789 1 14 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.339 1.357 17558
1790 1 14 . 1 1 10 10 GLY H H 10 8.386 8.386 8.158 0.228 17558
1791 1 14 . 1 1 11 11 ALA N N 11 123.234 123.234 124.956 -1.722 17558
1792 1 14 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.210 -0.051 17558
1793 1 14 . 1 1 11 11 ALA C C 11 179.909 179.909 179.849 0.060 17558
1794 1 14 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.947 0.677 17558
1795 1 14 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.460 -0.302 17558
1796 1 14 . 1 1 11 11 ALA H H 11 8.392 8.392 8.137 0.255 17558
1797 1 14 . 1 1 12 12 VAL N N 12 117.423 117.423 116.365 1.058 17558
1798 1 14 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.759 -0.220 17558
1799 1 14 . 1 1 12 12 VAL C C 12 176.877 176.877 177.776 -0.899 17558
1800 1 14 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.857 1.826 17558
1801 1 14 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.710 1.360 17558
1802 1 14 . 1 1 12 12 VAL H H 12 7.932 7.932 7.833 0.099 17558
1803 1 14 . 1 1 13 13 VAL N N 13 117.519 117.519 119.934 -2.415 17558
1804 1 14 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.690 -0.191 17558
1805 1 14 . 1 1 13 13 VAL C C 13 177.998 177.998 178.333 -0.335 17558
1806 1 14 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.510 1.442 17558
1807 1 14 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.663 1.553 17558
1808 1 14 . 1 1 13 13 VAL H H 13 7.679 7.679 7.930 -0.251 17558
1809 1 14 . 1 1 14 14 GLY N N 14 122.695 122.695 106.984 15.711 17558
1810 1 14 . 1 1 14 14 GLY C C 14 175.640 175.640 176.249 -0.609 17558
1811 1 14 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.257 0.236 17558
1812 1 14 . 1 1 14 14 GLY H H 14 9.134 9.134 8.275 0.859 17558
1813 1 14 . 1 1 15 15 GLY N N 15 128.047 128.047 110.755 17.292 17558
1814 1 14 . 1 1 15 15 GLY C C 15 175.562 175.562 176.165 -0.603 17558
1815 1 14 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
1816 1 14 . 1 1 15 15 GLY H H 15 8.635 8.635 7.808 0.827 17558
1817 1 14 . 1 1 16 16 LEU N N 16 121.900 121.900 120.292 1.608 17558
1818 1 14 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
1819 1 14 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
1820 1 14 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.697 1.213 17558
1821 1 14 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
1822 1 14 . 1 1 16 16 LEU H H 16 8.137 8.137 7.850 0.287 17558
1823 1 14 . 1 1 17 17 GLY N N 17 122.360 122.360 107.405 14.955 17558
1824 1 14 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
1825 1 14 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.111 1.548 17558
1826 1 14 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
1827 1 14 . 1 1 18 18 GLY N N 18 126.401 126.401 109.072 17.329 17558
1828 1 14 . 1 1 18 18 GLY C C 18 175.418 175.418 174.882 0.536 17558
1829 1 14 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
1830 1 14 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
1831 1 14 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
1832 1 14 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
1833 1 14 . 1 1 19 19 TYR C C 19 179.066 179.066 177.410 1.656 17558
1834 1 14 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.130 3.550 17558
1835 1 14 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.577 1.204 17558
1836 1 14 . 1 1 19 19 TYR H H 19 8.690 8.690 7.714 0.976 17558
1837 1 14 . 1 1 20 20 MET N N 20 119.540 119.540 118.199 1.341 17558
1838 1 14 . 1 1 20 20 MET HA H 20 3.980 3.980 3.708 0.272 17558
1839 1 14 . 1 1 20 20 MET C C 20 178.549 178.549 178.484 0.065 17558
1840 1 14 . 1 1 20 20 MET CA C 20 59.630 59.630 59.266 0.364 17558
1841 1 14 . 1 1 20 20 MET CB C 20 32.807 32.807 31.741 1.066 17558
1842 1 14 . 1 1 20 20 MET H H 20 8.367 8.367 7.818 0.549 17558
1843 1 14 . 1 1 21 21 LEU N N 21 119.740 119.740 119.282 0.458 17558
1844 1 14 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.142 -0.031 17558
1845 1 14 . 1 1 21 21 LEU C C 21 178.592 178.592 179.769 -1.177 17558
1846 1 14 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.406 1.385 17558
1847 1 14 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.558 2.442 17558
1848 1 14 . 1 1 21 21 LEU H H 21 8.329 8.329 7.961 0.368 17558
1849 1 14 . 1 1 22 22 GLY N N 22 123.469 123.469 107.780 15.689 17558
1850 1 14 . 1 1 22 22 GLY C C 22 174.857 174.857 176.697 -1.840 17558
1851 1 14 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.033 0.660 17558
1852 1 14 . 1 1 22 22 GLY H H 22 9.027 9.027 7.737 1.290 17558
1853 1 14 . 1 1 23 23 SER N N 23 114.334 114.334 117.726 -3.392 17558
1854 1 14 . 1 1 23 23 SER HA H 23 3.975 3.975 4.381 -0.406 17558
1855 1 14 . 1 1 23 23 SER C C 23 175.751 175.751 176.633 -0.882 17558
1856 1 14 . 1 1 23 23 SER CA C 23 60.879 60.879 61.422 -0.543 17558
1857 1 14 . 1 1 23 23 SER CB C 23 63.977 63.977 63.264 0.714 17558
1858 1 14 . 1 1 23 23 SER H H 23 7.893 7.893 8.608 -0.715 17558
1859 1 14 . 1 1 24 24 ALA N N 24 123.192 123.192 124.564 -1.372 17558
1860 1 14 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.114 0.061 17558
1861 1 14 . 1 1 24 24 ALA C C 24 178.717 178.717 179.013 -0.296 17558
1862 1 14 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.821 -0.208 17558
1863 1 14 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.419 1.104 17558
1864 1 14 . 1 1 24 24 ALA H H 24 7.579 7.579 8.351 -0.772 17558
1865 1 14 . 1 1 25 25 MET N N 25 115.187 115.187 115.927 -0.740 17558
1866 1 14 . 1 1 25 25 MET HA H 25 4.418 4.418 4.350 0.068 17558
1867 1 14 . 1 1 25 25 MET C C 25 176.479 176.479 178.439 -1.960 17558
1868 1 14 . 1 1 25 25 MET CA C 25 56.754 56.754 57.843 -1.089 17558
1869 1 14 . 1 1 25 25 MET CB C 25 28.852 28.852 33.142 -4.290 17558
1870 1 14 . 1 1 25 25 MET H H 25 7.905 7.905 7.636 0.269 17558
1871 1 14 . 1 1 26 26 SER N N 26 124.236 124.236 114.344 9.892 17558
1872 1 14 . 1 1 26 26 SER HA H 26 4.419 4.419 4.320 0.099 17558
1873 1 14 . 1 1 26 26 SER C C 26 173.350 173.350 174.443 -1.093 17558
1874 1 14 . 1 1 26 26 SER CA C 26 59.343 59.343 59.931 -0.588 17558
1875 1 14 . 1 1 26 26 SER CB C 26 62.573 62.573 63.855 -1.282 17558
1876 1 14 . 1 1 26 26 SER H H 26 7.710 7.710 7.605 0.105 17558
1877 1 15 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.718 -0.405 17558
1878 1 15 . 1 1 2 2 HIS C C 2 177.032 177.032 176.125 0.907 17558
1879 1 15 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.259 2.094 17558
1880 1 15 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.061 0.495 17558
1881 1 15 . 1 1 3 3 MET N N 3 118.797 118.797 116.958 1.839 17558
1882 1 15 . 1 1 3 3 MET HA H 3 4.116 4.116 4.249 -0.133 17558
1883 1 15 . 1 1 3 3 MET C C 3 177.497 177.497 177.517 -0.020 17558
1884 1 15 . 1 1 3 3 MET CA C 3 59.361 59.361 57.689 1.672 17558
1885 1 15 . 1 1 3 3 MET CB C 3 33.826 33.826 31.670 2.156 17558
1886 1 15 . 1 1 3 3 MET H H 3 8.055 8.055 8.139 -0.084 17558
1887 1 15 . 1 1 4 4 ALA N N 4 120.454 120.454 121.985 -1.531 17558
1888 1 15 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.143 -0.178 17558
1889 1 15 . 1 1 4 4 ALA C C 4 178.892 178.892 179.677 -0.785 17558
1890 1 15 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.886 1.165 17558
1891 1 15 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.983 0.821 17558
1892 1 15 . 1 1 4 4 ALA H H 4 8.279 8.279 7.624 0.655 17558
1893 1 15 . 1 1 5 5 GLY N N 5 121.085 121.085 106.748 14.337 17558
1894 1 15 . 1 1 5 5 GLY C C 5 174.212 174.212 175.555 -1.343 17558
1895 1 15 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.149 1.821 17558
1896 1 15 . 1 1 5 5 GLY H H 5 8.478 8.478 8.011 0.467 17558
1897 1 15 . 1 1 6 6 ALA N N 6 123.200 123.200 123.779 -0.579 17558
1898 1 15 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.058 0.187 17558
1899 1 15 . 1 1 6 6 ALA C C 6 179.297 179.297 179.441 -0.144 17558
1900 1 15 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.654 1.647 17558
1901 1 15 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.289 1.178 17558
1902 1 15 . 1 1 6 6 ALA H H 6 8.005 8.005 7.815 0.190 17558
1903 1 15 . 1 1 7 7 ALA N N 7 119.489 119.489 120.687 -1.198 17558
1904 1 15 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.068 -0.205 17558
1905 1 15 . 1 1 7 7 ALA C C 7 178.133 178.133 179.412 -1.279 17558
1906 1 15 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.683 1.037 17558
1907 1 15 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.335 0.450 17558
1908 1 15 . 1 1 7 7 ALA H H 7 8.315 8.315 7.907 0.408 17558
1909 1 15 . 1 1 8 8 ALA N N 8 118.612 118.612 121.254 -2.642 17558
1910 1 15 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.034 -0.046 17558
1911 1 15 . 1 1 8 8 ALA C C 8 178.857 178.857 179.480 -0.623 17558
1912 1 15 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.883 1.206 17558
1913 1 15 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.340 0.297 17558
1914 1 15 . 1 1 8 8 ALA H H 8 8.294 8.294 7.915 0.379 17558
1915 1 15 . 1 1 9 9 ALA N N 9 118.968 118.968 120.185 -1.217 17558
1916 1 15 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.126 -0.265 17558
1917 1 15 . 1 1 9 9 ALA C C 9 179.548 179.548 179.819 -0.271 17558
1918 1 15 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.873 1.017 17558
1919 1 15 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.500 0.485 17558
1920 1 15 . 1 1 9 9 ALA H H 9 8.029 8.029 8.148 -0.119 17558
1921 1 15 . 1 1 10 10 GLY N N 10 120.112 120.112 106.173 13.939 17558
1922 1 15 . 1 1 10 10 GLY C C 10 175.031 175.031 175.774 -0.743 17558
1923 1 15 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.340 1.355 17558
1924 1 15 . 1 1 10 10 GLY H H 10 8.386 8.386 8.157 0.229 17558
1925 1 15 . 1 1 11 11 ALA N N 11 123.234 123.234 124.931 -1.697 17558
1926 1 15 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.206 -0.047 17558
1927 1 15 . 1 1 11 11 ALA C C 11 179.909 179.909 179.842 0.067 17558
1928 1 15 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.938 0.686 17558
1929 1 15 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.453 -0.295 17558
1930 1 15 . 1 1 11 11 ALA H H 11 8.392 8.392 8.127 0.265 17558
1931 1 15 . 1 1 12 12 VAL N N 12 117.423 117.423 116.264 1.159 17558
1932 1 15 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.752 -0.213 17558
1933 1 15 . 1 1 12 12 VAL C C 12 176.877 176.877 177.840 -0.963 17558
1934 1 15 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.832 1.851 17558
1935 1 15 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.659 1.411 17558
1936 1 15 . 1 1 12 12 VAL H H 12 7.932 7.932 7.806 0.126 17558
1937 1 15 . 1 1 13 13 VAL N N 13 117.519 117.519 120.304 -2.785 17558
1938 1 15 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.732 -0.233 17558
1939 1 15 . 1 1 13 13 VAL C C 13 177.998 177.998 178.280 -0.282 17558
1940 1 15 . 1 1 13 13 VAL CA C 13 67.952 67.952 65.577 2.375 17558
1941 1 15 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.454 1.762 17558
1942 1 15 . 1 1 13 13 VAL H H 13 7.679 7.679 7.919 -0.240 17558
1943 1 15 . 1 1 14 14 GLY N N 14 122.695 122.695 106.933 15.762 17558
1944 1 15 . 1 1 14 14 GLY C C 14 175.640 175.640 176.302 -0.662 17558
1945 1 15 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.286 0.207 17558
1946 1 15 . 1 1 14 14 GLY H H 14 9.134 9.134 8.236 0.898 17558
1947 1 15 . 1 1 15 15 GLY N N 15 128.047 128.047 110.755 17.292 17558
1948 1 15 . 1 1 15 15 GLY C C 15 175.562 175.562 176.162 -0.600 17558
1949 1 15 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
1950 1 15 . 1 1 15 15 GLY H H 15 8.635 8.635 7.807 0.828 17558
1951 1 15 . 1 1 16 16 LEU N N 16 121.900 121.900 120.293 1.607 17558
1952 1 15 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.424 -0.328 17558
1953 1 15 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
1954 1 15 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.696 1.214 17558
1955 1 15 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
1956 1 15 . 1 1 16 16 LEU H H 16 8.137 8.137 7.841 0.296 17558
1957 1 15 . 1 1 17 17 GLY N N 17 122.360 122.360 107.398 14.962 17558
1958 1 15 . 1 1 17 17 GLY C C 17 175.280 175.280 175.889 -0.609 17558
1959 1 15 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.107 1.552 17558
1960 1 15 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
1961 1 15 . 1 1 18 18 GLY N N 18 126.401 126.401 109.073 17.328 17558
1962 1 15 . 1 1 18 18 GLY C C 18 175.418 175.418 174.882 0.536 17558
1963 1 15 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
1964 1 15 . 1 1 18 18 GLY H H 18 9.719 9.719 7.982 1.737 17558
1965 1 15 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
1966 1 15 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.293 -0.201 17558
1967 1 15 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
1968 1 15 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
1969 1 15 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.575 1.206 17558
1970 1 15 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
1971 1 15 . 1 1 20 20 MET N N 20 119.540 119.540 117.770 1.770 17558
1972 1 15 . 1 1 20 20 MET HA H 20 3.980 3.980 3.673 0.307 17558
1973 1 15 . 1 1 20 20 MET C C 20 178.549 178.549 178.303 0.246 17558
1974 1 15 . 1 1 20 20 MET CA C 20 59.630 59.630 59.393 0.237 17558
1975 1 15 . 1 1 20 20 MET CB C 20 32.807 32.807 31.701 1.106 17558
1976 1 15 . 1 1 20 20 MET H H 20 8.367 8.367 7.734 0.633 17558
1977 1 15 . 1 1 21 21 LEU N N 21 119.740 119.740 119.462 0.278 17558
1978 1 15 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.056 0.055 17558
1979 1 15 . 1 1 21 21 LEU C C 21 178.592 178.592 179.402 -0.810 17558
1980 1 15 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.210 0.581 17558
1981 1 15 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.410 1.589 17558
1982 1 15 . 1 1 21 21 LEU H H 21 8.329 8.329 7.947 0.382 17558
1983 1 15 . 1 1 22 22 GLY N N 22 123.469 123.469 106.835 16.634 17558
1984 1 15 . 1 1 22 22 GLY C C 22 174.857 174.857 176.236 -1.379 17558
1985 1 15 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.210 0.483 17558
1986 1 15 . 1 1 22 22 GLY H H 22 9.027 9.027 7.725 1.302 17558
1987 1 15 . 1 1 23 23 SER N N 23 114.334 114.334 117.779 -3.445 17558
1988 1 15 . 1 1 23 23 SER HA H 23 3.975 3.975 4.355 -0.380 17558
1989 1 15 . 1 1 23 23 SER C C 23 175.751 175.751 176.626 -0.875 17558
1990 1 15 . 1 1 23 23 SER CA C 23 60.879 60.879 61.373 -0.494 17558
1991 1 15 . 1 1 23 23 SER CB C 23 63.977 63.977 63.251 0.726 17558
1992 1 15 . 1 1 23 23 SER H H 23 7.893 7.893 8.608 -0.715 17558
1993 1 15 . 1 1 24 24 ALA N N 24 123.192 123.192 125.281 -2.089 17558
1994 1 15 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.097 0.078 17558
1995 1 15 . 1 1 24 24 ALA C C 24 178.717 178.717 179.199 -0.482 17558
1996 1 15 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.739 -0.126 17558
1997 1 15 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.302 1.221 17558
1998 1 15 . 1 1 24 24 ALA H H 24 7.579 7.579 8.414 -0.835 17558
1999 1 15 . 1 1 25 25 MET N N 25 115.187 115.187 115.839 -0.652 17558
2000 1 15 . 1 1 25 25 MET HA H 25 4.418 4.418 4.348 0.070 17558
2001 1 15 . 1 1 25 25 MET C C 25 176.479 176.479 178.470 -1.991 17558
2002 1 15 . 1 1 25 25 MET CA C 25 56.754 56.754 57.751 -0.997 17558
2003 1 15 . 1 1 25 25 MET CB C 25 28.852 28.852 33.143 -4.291 17558
2004 1 15 . 1 1 25 25 MET H H 25 7.905 7.905 7.656 0.249 17558
2005 1 15 . 1 1 26 26 SER N N 26 124.236 124.236 114.222 10.014 17558
2006 1 15 . 1 1 26 26 SER HA H 26 4.419 4.419 4.303 0.116 17558
2007 1 15 . 1 1 26 26 SER C C 26 173.350 173.350 174.472 -1.122 17558
2008 1 15 . 1 1 26 26 SER CA C 26 59.343 59.343 59.815 -0.472 17558
2009 1 15 . 1 1 26 26 SER CB C 26 62.573 62.573 63.664 -1.091 17558
2010 1 15 . 1 1 26 26 SER H H 26 7.710 7.710 7.577 0.133 17558
2011 1 16 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.567 -0.254 17558
2012 1 16 . 1 1 2 2 HIS C C 2 177.032 177.032 176.455 0.577 17558
2013 1 16 . 1 1 2 2 HIS CA C 2 59.353 59.353 55.953 3.400 17558
2014 1 16 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.757 0.799 17558
2015 1 16 . 1 1 3 3 MET N N 3 118.797 118.797 118.823 -0.026 17558
2016 1 16 . 1 1 3 3 MET HA H 3 4.116 4.116 4.177 -0.061 17558
2017 1 16 . 1 1 3 3 MET C C 3 177.497 177.497 177.496 0.001 17558
2018 1 16 . 1 1 3 3 MET CA C 3 59.361 59.361 58.077 1.284 17558
2019 1 16 . 1 1 3 3 MET CB C 3 33.826 33.826 32.278 1.548 17558
2020 1 16 . 1 1 3 3 MET H H 3 8.055 8.055 8.267 -0.212 17558
2021 1 16 . 1 1 4 4 ALA N N 4 120.454 120.454 120.601 -0.147 17558
2022 1 16 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.133 -0.168 17558
2023 1 16 . 1 1 4 4 ALA C C 4 178.892 178.892 179.533 -0.641 17558
2024 1 16 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.755 1.296 17558
2025 1 16 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.154 0.651 17558
2026 1 16 . 1 1 4 4 ALA H H 4 8.279 8.279 7.688 0.591 17558
2027 1 16 . 1 1 5 5 GLY N N 5 121.085 121.085 106.701 14.384 17558
2028 1 16 . 1 1 5 5 GLY C C 5 174.212 174.212 175.546 -1.334 17558
2029 1 16 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.184 1.786 17558
2030 1 16 . 1 1 5 5 GLY H H 5 8.478 8.478 7.973 0.505 17558
2031 1 16 . 1 1 6 6 ALA N N 6 123.200 123.200 123.900 -0.700 17558
2032 1 16 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.072 0.173 17558
2033 1 16 . 1 1 6 6 ALA C C 6 179.297 179.297 179.464 -0.167 17558
2034 1 16 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.680 1.621 17558
2035 1 16 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.335 1.132 17558
2036 1 16 . 1 1 6 6 ALA H H 6 8.005 8.005 8.072 -0.067 17558
2037 1 16 . 1 1 7 7 ALA N N 7 119.489 119.489 120.727 -1.238 17558
2038 1 16 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.074 -0.211 17558
2039 1 16 . 1 1 7 7 ALA C C 7 178.133 178.133 179.421 -1.288 17558
2040 1 16 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.699 1.021 17558
2041 1 16 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.345 0.440 17558
2042 1 16 . 1 1 7 7 ALA H H 7 8.315 8.315 7.954 0.361 17558
2043 1 16 . 1 1 8 8 ALA N N 8 118.612 118.612 121.251 -2.639 17558
2044 1 16 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.037 -0.049 17558
2045 1 16 . 1 1 8 8 ALA C C 8 178.857 178.857 179.477 -0.620 17558
2046 1 16 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.888 1.201 17558
2047 1 16 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.342 0.295 17558
2048 1 16 . 1 1 8 8 ALA H H 8 8.294 8.294 7.954 0.340 17558
2049 1 16 . 1 1 9 9 ALA N N 9 118.968 118.968 120.194 -1.226 17558
2050 1 16 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.120 -0.259 17558
2051 1 16 . 1 1 9 9 ALA C C 9 179.548 179.548 179.818 -0.270 17558
2052 1 16 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.870 1.020 17558
2053 1 16 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.488 0.497 17558
2054 1 16 . 1 1 9 9 ALA H H 9 8.029 8.029 8.138 -0.109 17558
2055 1 16 . 1 1 10 10 GLY N N 10 120.112 120.112 106.162 13.950 17558
2056 1 16 . 1 1 10 10 GLY C C 10 175.031 175.031 175.772 -0.741 17558
2057 1 16 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.341 1.355 17558
2058 1 16 . 1 1 10 10 GLY H H 10 8.386 8.386 8.166 0.220 17558
2059 1 16 . 1 1 11 11 ALA N N 11 123.234 123.234 125.158 -1.924 17558
2060 1 16 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.175 -0.016 17558
2061 1 16 . 1 1 11 11 ALA C C 11 179.909 179.909 179.729 0.180 17558
2062 1 16 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.767 0.857 17558
2063 1 16 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.410 -0.252 17558
2064 1 16 . 1 1 11 11 ALA H H 11 8.392 8.392 8.059 0.333 17558
2065 1 16 . 1 1 12 12 VAL N N 12 117.423 117.423 115.773 1.650 17558
2066 1 16 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.600 -0.061 17558
2067 1 16 . 1 1 12 12 VAL C C 12 176.877 176.877 177.732 -0.855 17558
2068 1 16 . 1 1 12 12 VAL CA C 12 67.683 67.683 66.026 1.657 17558
2069 1 16 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.498 0.572 17558
2070 1 16 . 1 1 12 12 VAL H H 12 7.932 7.932 7.719 0.213 17558
2071 1 16 . 1 1 13 13 VAL N N 13 117.519 117.519 120.312 -2.793 17558
2072 1 16 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.611 -0.112 17558
2073 1 16 . 1 1 13 13 VAL C C 13 177.998 177.998 178.058 -0.060 17558
2074 1 16 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.721 1.231 17558
2075 1 16 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.431 0.785 17558
2076 1 16 . 1 1 13 13 VAL H H 13 7.679 7.679 7.846 -0.167 17558
2077 1 16 . 1 1 14 14 GLY N N 14 122.695 122.695 106.695 16.000 17558
2078 1 16 . 1 1 14 14 GLY C C 14 175.640 175.640 176.168 -0.528 17558
2079 1 16 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.225 0.268 17558
2080 1 16 . 1 1 14 14 GLY H H 14 9.134 9.134 8.178 0.956 17558
2081 1 16 . 1 1 15 15 GLY N N 15 128.047 128.047 110.752 17.295 17558
2082 1 16 . 1 1 15 15 GLY C C 15 175.562 175.562 176.161 -0.599 17558
2083 1 16 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.548 1.328 17558
2084 1 16 . 1 1 15 15 GLY H H 15 8.635 8.635 7.807 0.828 17558
2085 1 16 . 1 1 16 16 LEU N N 16 121.900 121.900 120.290 1.610 17558
2086 1 16 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.424 -0.328 17558
2087 1 16 . 1 1 16 16 LEU C C 16 179.090 179.090 179.016 0.074 17558
2088 1 16 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
2089 1 16 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
2090 1 16 . 1 1 16 16 LEU H H 16 8.137 8.137 7.842 0.295 17558
2091 1 16 . 1 1 17 17 GLY N N 17 122.360 122.360 107.398 14.962 17558
2092 1 16 . 1 1 17 17 GLY C C 17 175.280 175.280 175.888 -0.608 17558
2093 1 16 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.107 1.552 17558
2094 1 16 . 1 1 17 17 GLY H H 17 8.412 8.412 8.724 -0.312 17558
2095 1 16 . 1 1 18 18 GLY N N 18 126.401 126.401 109.070 17.331 17558
2096 1 16 . 1 1 18 18 GLY C C 18 175.418 175.418 174.880 0.538 17558
2097 1 16 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.470 1.755 17558
2098 1 16 . 1 1 18 18 GLY H H 18 9.719 9.719 7.981 1.738 17558
2099 1 16 . 1 1 19 19 TYR N N 19 123.066 123.066 123.304 -0.238 17558
2100 1 16 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
2101 1 16 . 1 1 19 19 TYR C C 19 179.066 179.066 177.408 1.658 17558
2102 1 16 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.130 3.550 17558
2103 1 16 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.576 1.205 17558
2104 1 16 . 1 1 19 19 TYR H H 19 8.690 8.690 7.712 0.978 17558
2105 1 16 . 1 1 20 20 MET N N 20 119.540 119.540 117.757 1.783 17558
2106 1 16 . 1 1 20 20 MET HA H 20 3.980 3.980 3.673 0.307 17558
2107 1 16 . 1 1 20 20 MET C C 20 178.549 178.549 178.285 0.264 17558
2108 1 16 . 1 1 20 20 MET CA C 20 59.630 59.630 59.377 0.253 17558
2109 1 16 . 1 1 20 20 MET CB C 20 32.807 32.807 31.705 1.102 17558
2110 1 16 . 1 1 20 20 MET H H 20 8.367 8.367 7.736 0.631 17558
2111 1 16 . 1 1 21 21 LEU N N 21 119.740 119.740 119.345 0.395 17558
2112 1 16 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.100 0.011 17558
2113 1 16 . 1 1 21 21 LEU C C 21 178.592 178.592 179.304 -0.712 17558
2114 1 16 . 1 1 21 21 LEU CA C 21 58.791 58.791 58.160 0.631 17558
2115 1 16 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.345 1.655 17558
2116 1 16 . 1 1 21 21 LEU H H 21 8.329 8.329 7.927 0.402 17558
2117 1 16 . 1 1 22 22 GLY N N 22 123.469 123.469 106.772 16.697 17558
2118 1 16 . 1 1 22 22 GLY C C 22 174.857 174.857 176.231 -1.374 17558
2119 1 16 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.208 0.485 17558
2120 1 16 . 1 1 22 22 GLY H H 22 9.027 9.027 7.717 1.310 17558
2121 1 16 . 1 1 23 23 SER N N 23 114.334 114.334 117.754 -3.420 17558
2122 1 16 . 1 1 23 23 SER HA H 23 3.975 3.975 4.351 -0.376 17558
2123 1 16 . 1 1 23 23 SER C C 23 175.751 175.751 176.612 -0.861 17558
2124 1 16 . 1 1 23 23 SER CA C 23 60.879 60.879 61.387 -0.508 17558
2125 1 16 . 1 1 23 23 SER CB C 23 63.977 63.977 63.301 0.676 17558
2126 1 16 . 1 1 23 23 SER H H 23 7.893 7.893 8.615 -0.722 17558
2127 1 16 . 1 1 24 24 ALA N N 24 123.192 123.192 125.271 -2.079 17558
2128 1 16 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.101 0.074 17558
2129 1 16 . 1 1 24 24 ALA C C 24 178.717 178.717 179.311 -0.594 17558
2130 1 16 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.734 -0.122 17558
2131 1 16 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.341 1.182 17558
2132 1 16 . 1 1 24 24 ALA H H 24 7.579 7.579 8.511 -0.932 17558
2133 1 16 . 1 1 25 25 MET N N 25 115.187 115.187 117.478 -2.291 17558
2134 1 16 . 1 1 25 25 MET HA H 25 4.418 4.418 4.259 0.159 17558
2135 1 16 . 1 1 25 25 MET C C 25 176.479 176.479 178.177 -1.698 17558
2136 1 16 . 1 1 25 25 MET CA C 25 56.754 56.754 57.503 -0.749 17558
2137 1 16 . 1 1 25 25 MET CB C 25 28.852 28.852 33.085 -4.233 17558
2138 1 16 . 1 1 25 25 MET H H 25 7.905 7.905 7.868 0.037 17558
2139 1 16 . 1 1 26 26 SER N N 26 124.236 124.236 114.401 9.835 17558
2140 1 16 . 1 1 26 26 SER HA H 26 4.419 4.419 4.301 0.118 17558
2141 1 16 . 1 1 26 26 SER C C 26 173.350 173.350 175.116 -1.766 17558
2142 1 16 . 1 1 26 26 SER CA C 26 59.343 59.343 59.547 -0.204 17558
2143 1 16 . 1 1 26 26 SER CB C 26 62.573 62.573 63.617 -1.044 17558
2144 1 16 . 1 1 26 26 SER H H 26 7.710 7.710 7.605 0.105 17558
2145 1 17 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.707 -0.394 17558
2146 1 17 . 1 1 2 2 HIS C C 2 177.032 177.032 176.294 0.738 17558
2147 1 17 . 1 1 2 2 HIS CA C 2 59.353 59.353 57.381 1.972 17558
2148 1 17 . 1 1 2 2 HIS CB C 2 30.556 30.556 30.055 0.501 17558
2149 1 17 . 1 1 3 3 MET N N 3 118.797 118.797 116.978 1.819 17558
2150 1 17 . 1 1 3 3 MET HA H 3 4.116 4.116 4.281 -0.165 17558
2151 1 17 . 1 1 3 3 MET C C 3 177.497 177.497 177.549 -0.052 17558
2152 1 17 . 1 1 3 3 MET CA C 3 59.361 59.361 57.724 1.637 17558
2153 1 17 . 1 1 3 3 MET CB C 3 33.826 33.826 31.658 2.168 17558
2154 1 17 . 1 1 3 3 MET H H 3 8.055 8.055 8.141 -0.086 17558
2155 1 17 . 1 1 4 4 ALA N N 4 120.454 120.454 121.986 -1.532 17558
2156 1 17 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.141 -0.176 17558
2157 1 17 . 1 1 4 4 ALA C C 4 178.892 178.892 179.669 -0.777 17558
2158 1 17 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.880 1.171 17558
2159 1 17 . 1 1 4 4 ALA CB C 4 18.804 18.804 17.972 0.832 17558
2160 1 17 . 1 1 4 4 ALA H H 4 8.279 8.279 7.617 0.662 17558
2161 1 17 . 1 1 5 5 GLY N N 5 121.085 121.085 106.725 14.360 17558
2162 1 17 . 1 1 5 5 GLY C C 5 174.212 174.212 175.557 -1.345 17558
2163 1 17 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.114 1.856 17558
2164 1 17 . 1 1 5 5 GLY H H 5 8.478 8.478 7.976 0.502 17558
2165 1 17 . 1 1 6 6 ALA N N 6 123.200 123.200 123.821 -0.621 17558
2166 1 17 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.109 0.136 17558
2167 1 17 . 1 1 6 6 ALA C C 6 179.297 179.297 179.466 -0.169 17558
2168 1 17 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.708 1.593 17558
2169 1 17 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.380 1.087 17558
2170 1 17 . 1 1 6 6 ALA H H 6 8.005 8.005 7.875 0.130 17558
2171 1 17 . 1 1 7 7 ALA N N 7 119.489 119.489 120.706 -1.217 17558
2172 1 17 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.080 -0.217 17558
2173 1 17 . 1 1 7 7 ALA C C 7 178.133 178.133 179.418 -1.285 17558
2174 1 17 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.695 1.025 17558
2175 1 17 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.343 0.442 17558
2176 1 17 . 1 1 7 7 ALA H H 7 8.315 8.315 7.929 0.386 17558
2177 1 17 . 1 1 8 8 ALA N N 8 118.612 118.612 121.259 -2.647 17558
2178 1 17 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.035 -0.047 17558
2179 1 17 . 1 1 8 8 ALA C C 8 178.857 178.857 179.481 -0.624 17558
2180 1 17 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.884 1.205 17558
2181 1 17 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.337 0.300 17558
2182 1 17 . 1 1 8 8 ALA H H 8 8.294 8.294 7.919 0.375 17558
2183 1 17 . 1 1 9 9 ALA N N 9 118.968 118.968 120.190 -1.222 17558
2184 1 17 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.127 -0.266 17558
2185 1 17 . 1 1 9 9 ALA C C 9 179.548 179.548 179.823 -0.275 17558
2186 1 17 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.877 1.013 17558
2187 1 17 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.503 0.483 17558
2188 1 17 . 1 1 9 9 ALA H H 9 8.029 8.029 8.151 -0.122 17558
2189 1 17 . 1 1 10 10 GLY N N 10 120.112 120.112 106.180 13.932 17558
2190 1 17 . 1 1 10 10 GLY C C 10 175.031 175.031 175.779 -0.748 17558
2191 1 17 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.348 1.348 17558
2192 1 17 . 1 1 10 10 GLY H H 10 8.386 8.386 8.166 0.220 17558
2193 1 17 . 1 1 11 11 ALA N N 11 123.234 123.234 125.037 -1.803 17558
2194 1 17 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.180 -0.021 17558
2195 1 17 . 1 1 11 11 ALA C C 11 179.909 179.909 179.784 0.125 17558
2196 1 17 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.863 0.761 17558
2197 1 17 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.488 -0.330 17558
2198 1 17 . 1 1 11 11 ALA H H 11 8.392 8.392 8.100 0.292 17558
2199 1 17 . 1 1 12 12 VAL N N 12 117.423 117.423 116.537 0.886 17558
2200 1 17 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.702 -0.163 17558
2201 1 17 . 1 1 12 12 VAL C C 12 176.877 176.877 177.617 -0.740 17558
2202 1 17 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.311 2.372 17558
2203 1 17 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.047 1.023 17558
2204 1 17 . 1 1 12 12 VAL H H 12 7.932 7.932 7.741 0.191 17558
2205 1 17 . 1 1 13 13 VAL N N 13 117.519 117.519 120.148 -2.629 17558
2206 1 17 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.584 -0.085 17558
2207 1 17 . 1 1 13 13 VAL C C 13 177.998 177.998 178.019 -0.021 17558
2208 1 17 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.552 1.400 17558
2209 1 17 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.250 0.966 17558
2210 1 17 . 1 1 13 13 VAL H H 13 7.679 7.679 7.838 -0.159 17558
2211 1 17 . 1 1 14 14 GLY N N 14 122.695 122.695 106.733 15.962 17558
2212 1 17 . 1 1 14 14 GLY C C 14 175.640 175.640 176.152 -0.512 17558
2213 1 17 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.225 0.268 17558
2214 1 17 . 1 1 14 14 GLY H H 14 9.134 9.134 8.193 0.941 17558
2215 1 17 . 1 1 15 15 GLY N N 15 128.047 128.047 110.754 17.293 17558
2216 1 17 . 1 1 15 15 GLY C C 15 175.562 175.562 176.163 -0.601 17558
2217 1 17 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
2218 1 17 . 1 1 15 15 GLY H H 15 8.635 8.635 7.810 0.825 17558
2219 1 17 . 1 1 16 16 LEU N N 16 121.900 121.900 120.292 1.608 17558
2220 1 17 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
2221 1 17 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
2222 1 17 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.695 1.215 17558
2223 1 17 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
2224 1 17 . 1 1 16 16 LEU H H 16 8.137 8.137 7.844 0.293 17558
2225 1 17 . 1 1 17 17 GLY N N 17 122.360 122.360 107.402 14.958 17558
2226 1 17 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
2227 1 17 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.112 1.547 17558
2228 1 17 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
2229 1 17 . 1 1 18 18 GLY N N 18 126.401 126.401 109.066 17.335 17558
2230 1 17 . 1 1 18 18 GLY C C 18 175.418 175.418 174.880 0.538 17558
2231 1 17 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.470 1.755 17558
2232 1 17 . 1 1 18 18 GLY H H 18 9.719 9.719 7.983 1.736 17558
2233 1 17 . 1 1 19 19 TYR N N 19 123.066 123.066 123.310 -0.244 17558
2234 1 17 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.296 -0.203 17558
2235 1 17 . 1 1 19 19 TYR C C 19 179.066 179.066 177.407 1.659 17558
2236 1 17 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
2237 1 17 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.578 1.203 17558
2238 1 17 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
2239 1 17 . 1 1 20 20 MET N N 20 119.540 119.540 117.906 1.634 17558
2240 1 17 . 1 1 20 20 MET HA H 20 3.980 3.980 3.679 0.301 17558
2241 1 17 . 1 1 20 20 MET C C 20 178.549 178.549 178.255 0.294 17558
2242 1 17 . 1 1 20 20 MET CA C 20 59.630 59.630 59.265 0.365 17558
2243 1 17 . 1 1 20 20 MET CB C 20 32.807 32.807 31.790 1.017 17558
2244 1 17 . 1 1 20 20 MET H H 20 8.367 8.367 7.765 0.602 17558
2245 1 17 . 1 1 21 21 LEU N N 21 119.740 119.740 119.275 0.465 17558
2246 1 17 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.147 -0.036 17558
2247 1 17 . 1 1 21 21 LEU C C 21 178.592 178.592 179.784 -1.192 17558
2248 1 17 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.315 1.476 17558
2249 1 17 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.506 2.494 17558
2250 1 17 . 1 1 21 21 LEU H H 21 8.329 8.329 7.962 0.367 17558
2251 1 17 . 1 1 22 22 GLY N N 22 123.469 123.469 107.262 16.207 17558
2252 1 17 . 1 1 22 22 GLY C C 22 174.857 174.857 175.943 -1.086 17558
2253 1 17 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.046 0.647 17558
2254 1 17 . 1 1 22 22 GLY H H 22 9.027 9.027 7.732 1.295 17558
2255 1 17 . 1 1 23 23 SER N N 23 114.334 114.334 117.277 -2.943 17558
2256 1 17 . 1 1 23 23 SER HA H 23 3.975 3.975 4.332 -0.357 17558
2257 1 17 . 1 1 23 23 SER C C 23 175.751 175.751 176.669 -0.918 17558
2258 1 17 . 1 1 23 23 SER CA C 23 60.879 60.879 60.944 -0.065 17558
2259 1 17 . 1 1 23 23 SER CB C 23 63.977 63.977 63.329 0.648 17558
2260 1 17 . 1 1 23 23 SER H H 23 7.893 7.893 8.611 -0.718 17558
2261 1 17 . 1 1 24 24 ALA N N 24 123.192 123.192 125.837 -2.645 17558
2262 1 17 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.141 0.034 17558
2263 1 17 . 1 1 24 24 ALA C C 24 178.717 178.717 178.884 -0.167 17558
2264 1 17 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.629 -0.016 17558
2265 1 17 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.502 1.021 17558
2266 1 17 . 1 1 24 24 ALA H H 24 7.579 7.579 8.507 -0.928 17558
2267 1 17 . 1 1 25 25 MET N N 25 115.187 115.187 116.456 -1.269 17558
2268 1 17 . 1 1 25 25 MET HA H 25 4.418 4.418 4.335 0.083 17558
2269 1 17 . 1 1 25 25 MET C C 25 176.479 176.479 178.072 -1.593 17558
2270 1 17 . 1 1 25 25 MET CA C 25 56.754 56.754 57.827 -1.073 17558
2271 1 17 . 1 1 25 25 MET CB C 25 28.852 28.852 33.160 -4.308 17558
2272 1 17 . 1 1 25 25 MET H H 25 7.905 7.905 7.816 0.089 17558
2273 1 17 . 1 1 26 26 SER N N 26 124.236 124.236 114.956 9.280 17558
2274 1 17 . 1 1 26 26 SER HA H 26 4.419 4.419 4.334 0.085 17558
2275 1 17 . 1 1 26 26 SER C C 26 173.350 173.350 174.480 -1.130 17558
2276 1 17 . 1 1 26 26 SER CA C 26 59.343 59.343 60.386 -1.043 17558
2277 1 17 . 1 1 26 26 SER CB C 26 62.573 62.573 63.913 -1.340 17558
2278 1 17 . 1 1 26 26 SER H H 26 7.710 7.710 7.773 -0.063 17558
2279 1 18 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.632 -0.319 17558
2280 1 18 . 1 1 2 2 HIS C C 2 177.032 177.032 176.056 0.976 17558
2281 1 18 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.730 2.623 17558
2282 1 18 . 1 1 2 2 HIS CB C 2 30.556 30.556 28.868 1.688 17558
2283 1 18 . 1 1 3 3 MET N N 3 118.797 118.797 118.195 0.602 17558
2284 1 18 . 1 1 3 3 MET HA H 3 4.116 4.116 4.111 0.005 17558
2285 1 18 . 1 1 3 3 MET C C 3 177.497 177.497 177.910 -0.413 17558
2286 1 18 . 1 1 3 3 MET CA C 3 59.361 59.361 57.757 1.604 17558
2287 1 18 . 1 1 3 3 MET CB C 3 33.826 33.826 31.339 2.487 17558
2288 1 18 . 1 1 3 3 MET H H 3 8.055 8.055 8.127 -0.072 17558
2289 1 18 . 1 1 4 4 ALA N N 4 120.454 120.454 122.024 -1.570 17558
2290 1 18 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.165 -0.200 17558
2291 1 18 . 1 1 4 4 ALA C C 4 178.892 178.892 179.734 -0.842 17558
2292 1 18 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.922 1.129 17558
2293 1 18 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.011 0.793 17558
2294 1 18 . 1 1 4 4 ALA H H 4 8.279 8.279 7.664 0.615 17558
2295 1 18 . 1 1 5 5 GLY N N 5 121.085 121.085 106.873 14.212 17558
2296 1 18 . 1 1 5 5 GLY C C 5 174.212 174.212 175.706 -1.494 17558
2297 1 18 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.283 1.687 17558
2298 1 18 . 1 1 5 5 GLY H H 5 8.478 8.478 8.144 0.334 17558
2299 1 18 . 1 1 6 6 ALA N N 6 123.200 123.200 123.987 -0.787 17558
2300 1 18 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.130 0.115 17558
2301 1 18 . 1 1 6 6 ALA C C 6 179.297 179.297 179.468 -0.171 17558
2302 1 18 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.720 1.581 17558
2303 1 18 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.291 1.176 17558
2304 1 18 . 1 1 6 6 ALA H H 6 8.005 8.005 8.079 -0.074 17558
2305 1 18 . 1 1 7 7 ALA N N 7 119.489 119.489 120.712 -1.223 17558
2306 1 18 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.066 -0.203 17558
2307 1 18 . 1 1 7 7 ALA C C 7 178.133 178.133 179.423 -1.290 17558
2308 1 18 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.685 1.034 17558
2309 1 18 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.340 0.445 17558
2310 1 18 . 1 1 7 7 ALA H H 7 8.315 8.315 7.934 0.381 17558
2311 1 18 . 1 1 8 8 ALA N N 8 118.612 118.612 121.273 -2.661 17558
2312 1 18 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.045 -0.057 17558
2313 1 18 . 1 1 8 8 ALA C C 8 178.857 178.857 179.492 -0.635 17558
2314 1 18 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.898 1.190 17558
2315 1 18 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.358 0.279 17558
2316 1 18 . 1 1 8 8 ALA H H 8 8.294 8.294 7.945 0.349 17558
2317 1 18 . 1 1 9 9 ALA N N 9 118.968 118.968 120.199 -1.231 17558
2318 1 18 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.133 -0.272 17558
2319 1 18 . 1 1 9 9 ALA C C 9 179.548 179.548 179.824 -0.276 17558
2320 1 18 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.883 1.007 17558
2321 1 18 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.510 0.476 17558
2322 1 18 . 1 1 9 9 ALA H H 9 8.029 8.029 8.175 -0.146 17558
2323 1 18 . 1 1 10 10 GLY N N 10 120.112 120.112 106.177 13.935 17558
2324 1 18 . 1 1 10 10 GLY C C 10 175.031 175.031 175.773 -0.742 17558
2325 1 18 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.342 1.354 17558
2326 1 18 . 1 1 10 10 GLY H H 10 8.386 8.386 8.165 0.221 17558
2327 1 18 . 1 1 11 11 ALA N N 11 123.234 123.234 125.031 -1.797 17558
2328 1 18 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.179 -0.020 17558
2329 1 18 . 1 1 11 11 ALA C C 11 179.909 179.909 179.782 0.127 17558
2330 1 18 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.858 0.766 17558
2331 1 18 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.488 -0.330 17558
2332 1 18 . 1 1 11 11 ALA H H 11 8.392 8.392 8.098 0.294 17558
2333 1 18 . 1 1 12 12 VAL N N 12 117.423 117.423 116.582 0.841 17558
2334 1 18 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.726 -0.187 17558
2335 1 18 . 1 1 12 12 VAL C C 12 176.877 176.877 177.796 -0.919 17558
2336 1 18 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.338 2.345 17558
2337 1 18 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.959 1.111 17558
2338 1 18 . 1 1 12 12 VAL H H 12 7.932 7.932 7.734 0.198 17558
2339 1 18 . 1 1 13 13 VAL N N 13 117.519 117.519 120.381 -2.862 17558
2340 1 18 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.676 -0.177 17558
2341 1 18 . 1 1 13 13 VAL C C 13 177.998 177.998 178.078 -0.080 17558
2342 1 18 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.591 1.361 17558
2343 1 18 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.998 1.218 17558
2344 1 18 . 1 1 13 13 VAL H H 13 7.679 7.679 7.868 -0.189 17558
2345 1 18 . 1 1 14 14 GLY N N 14 122.695 122.695 106.819 15.876 17558
2346 1 18 . 1 1 14 14 GLY C C 14 175.640 175.640 176.273 -0.633 17558
2347 1 18 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.269 0.224 17558
2348 1 18 . 1 1 14 14 GLY H H 14 9.134 9.134 8.215 0.919 17558
2349 1 18 . 1 1 15 15 GLY N N 15 128.047 128.047 110.749 17.298 17558
2350 1 18 . 1 1 15 15 GLY C C 15 175.562 175.562 176.161 -0.599 17558
2351 1 18 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.548 1.328 17558
2352 1 18 . 1 1 15 15 GLY H H 15 8.635 8.635 7.806 0.829 17558
2353 1 18 . 1 1 16 16 LEU N N 16 121.900 121.900 120.290 1.610 17558
2354 1 18 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.423 -0.327 17558
2355 1 18 . 1 1 16 16 LEU C C 16 179.090 179.090 179.015 0.075 17558
2356 1 18 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
2357 1 18 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.203 1.340 17558
2358 1 18 . 1 1 16 16 LEU H H 16 8.137 8.137 7.841 0.296 17558
2359 1 18 . 1 1 17 17 GLY N N 17 122.360 122.360 107.396 14.964 17558
2360 1 18 . 1 1 17 17 GLY C C 17 175.280 175.280 175.892 -0.612 17558
2361 1 18 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.109 1.550 17558
2362 1 18 . 1 1 17 17 GLY H H 17 8.412 8.412 8.722 -0.310 17558
2363 1 18 . 1 1 18 18 GLY N N 18 126.401 126.401 109.077 17.324 17558
2364 1 18 . 1 1 18 18 GLY C C 18 175.418 175.418 174.878 0.540 17558
2365 1 18 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
2366 1 18 . 1 1 18 18 GLY H H 18 9.719 9.719 7.981 1.738 17558
2367 1 18 . 1 1 19 19 TYR N N 19 123.066 123.066 123.313 -0.247 17558
2368 1 18 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.294 -0.201 17558
2369 1 18 . 1 1 19 19 TYR C C 19 179.066 179.066 177.411 1.655 17558
2370 1 18 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.135 3.545 17558
2371 1 18 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.574 1.207 17558
2372 1 18 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
2373 1 18 . 1 1 20 20 MET N N 20 119.540 119.540 117.891 1.649 17558
2374 1 18 . 1 1 20 20 MET HA H 20 3.980 3.980 3.679 0.301 17558
2375 1 18 . 1 1 20 20 MET C C 20 178.549 178.549 178.248 0.301 17558
2376 1 18 . 1 1 20 20 MET CA C 20 59.630 59.630 59.258 0.372 17558
2377 1 18 . 1 1 20 20 MET CB C 20 32.807 32.807 31.789 1.018 17558
2378 1 18 . 1 1 20 20 MET H H 20 8.367 8.367 7.766 0.601 17558
2379 1 18 . 1 1 21 21 LEU N N 21 119.740 119.740 119.316 0.424 17558
2380 1 18 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.150 -0.039 17558
2381 1 18 . 1 1 21 21 LEU C C 21 178.592 178.592 179.779 -1.187 17558
2382 1 18 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.213 1.578 17558
2383 1 18 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.472 2.528 17558
2384 1 18 . 1 1 21 21 LEU H H 21 8.329 8.329 7.963 0.366 17558
2385 1 18 . 1 1 22 22 GLY N N 22 123.469 123.469 107.289 16.180 17558
2386 1 18 . 1 1 22 22 GLY C C 22 174.857 174.857 176.339 -1.482 17558
2387 1 18 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.076 0.617 17558
2388 1 18 . 1 1 22 22 GLY H H 22 9.027 9.027 7.747 1.280 17558
2389 1 18 . 1 1 23 23 SER N N 23 114.334 114.334 117.771 -3.437 17558
2390 1 18 . 1 1 23 23 SER HA H 23 3.975 3.975 4.290 -0.315 17558
2391 1 18 . 1 1 23 23 SER C C 23 175.751 175.751 176.360 -0.609 17558
2392 1 18 . 1 1 23 23 SER CA C 23 60.879 60.879 61.098 -0.219 17558
2393 1 18 . 1 1 23 23 SER CB C 23 63.977 63.977 63.209 0.768 17558
2394 1 18 . 1 1 23 23 SER H H 23 7.893 7.893 8.612 -0.719 17558
2395 1 18 . 1 1 24 24 ALA N N 24 123.192 123.192 125.224 -2.032 17558
2396 1 18 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.116 0.059 17558
2397 1 18 . 1 1 24 24 ALA C C 24 178.717 178.717 179.004 -0.287 17558
2398 1 18 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.866 -0.253 17558
2399 1 18 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.225 1.298 17558
2400 1 18 . 1 1 24 24 ALA H H 24 7.579 7.579 8.422 -0.843 17558
2401 1 18 . 1 1 25 25 MET N N 25 115.187 115.187 116.800 -1.613 17558
2402 1 18 . 1 1 25 25 MET HA H 25 4.418 4.418 4.375 0.043 17558
2403 1 18 . 1 1 25 25 MET C C 25 176.479 176.479 178.015 -1.536 17558
2404 1 18 . 1 1 25 25 MET CA C 25 56.754 56.754 57.429 -0.675 17558
2405 1 18 . 1 1 25 25 MET CB C 25 28.852 28.852 32.540 -3.688 17558
2406 1 18 . 1 1 25 25 MET H H 25 7.905 7.905 7.672 0.233 17558
2407 1 18 . 1 1 26 26 SER N N 26 124.236 124.236 114.740 9.496 17558
2408 1 18 . 1 1 26 26 SER HA H 26 4.419 4.419 4.296 0.123 17558
2409 1 18 . 1 1 26 26 SER C C 26 173.350 173.350 174.581 -1.231 17558
2410 1 18 . 1 1 26 26 SER CA C 26 59.343 59.343 59.987 -0.644 17558
2411 1 18 . 1 1 26 26 SER CB C 26 62.573 62.573 64.032 -1.459 17558
2412 1 18 . 1 1 26 26 SER H H 26 7.710 7.710 7.689 0.021 17558
2413 1 19 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.511 -0.199 17558
2414 1 19 . 1 1 2 2 HIS C C 2 177.032 177.032 176.713 0.319 17558
2415 1 19 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.455 2.898 17558
2416 1 19 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.906 0.650 17558
2417 1 19 . 1 1 3 3 MET N N 3 118.797 118.797 119.941 -1.144 17558
2418 1 19 . 1 1 3 3 MET HA H 3 4.116 4.116 4.206 -0.090 17558
2419 1 19 . 1 1 3 3 MET C C 3 177.497 177.497 177.421 0.076 17558
2420 1 19 . 1 1 3 3 MET CA C 3 59.361 59.361 57.982 1.379 17558
2421 1 19 . 1 1 3 3 MET CB C 3 33.826 33.826 32.400 1.426 17558
2422 1 19 . 1 1 3 3 MET H H 3 8.055 8.055 8.196 -0.141 17558
2423 1 19 . 1 1 4 4 ALA N N 4 120.454 120.454 120.669 -0.215 17558
2424 1 19 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.170 -0.205 17558
2425 1 19 . 1 1 4 4 ALA C C 4 178.892 178.892 179.610 -0.718 17558
2426 1 19 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.792 1.259 17558
2427 1 19 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.183 0.621 17558
2428 1 19 . 1 1 4 4 ALA H H 4 8.279 8.279 7.726 0.553 17558
2429 1 19 . 1 1 5 5 GLY N N 5 121.085 121.085 106.849 14.236 17558
2430 1 19 . 1 1 5 5 GLY C C 5 174.212 174.212 175.713 -1.501 17558
2431 1 19 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.340 1.630 17558
2432 1 19 . 1 1 5 5 GLY H H 5 8.478 8.478 8.114 0.364 17558
2433 1 19 . 1 1 6 6 ALA N N 6 123.200 123.200 124.109 -0.909 17558
2434 1 19 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.178 0.067 17558
2435 1 19 . 1 1 6 6 ALA C C 6 179.297 179.297 179.530 -0.233 17558
2436 1 19 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.786 1.515 17558
2437 1 19 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.432 1.035 17558
2438 1 19 . 1 1 6 6 ALA H H 6 8.005 8.005 8.323 -0.318 17558
2439 1 19 . 1 1 7 7 ALA N N 7 119.489 119.489 120.788 -1.299 17558
2440 1 19 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.103 -0.240 17558
2441 1 19 . 1 1 7 7 ALA C C 7 178.133 178.133 179.452 -1.319 17558
2442 1 19 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.733 0.988 17558
2443 1 19 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.379 0.406 17558
2444 1 19 . 1 1 7 7 ALA H H 7 8.315 8.315 8.025 0.290 17558
2445 1 19 . 1 1 8 8 ALA N N 8 118.612 118.612 121.292 -2.680 17558
2446 1 19 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.060 -0.072 17558
2447 1 19 . 1 1 8 8 ALA C C 8 178.857 178.857 179.499 -0.642 17558
2448 1 19 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.919 1.169 17558
2449 1 19 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.373 0.264 17558
2450 1 19 . 1 1 8 8 ALA H H 8 8.294 8.294 8.004 0.290 17558
2451 1 19 . 1 1 9 9 ALA N N 9 118.968 118.968 120.231 -1.263 17558
2452 1 19 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.136 -0.275 17558
2453 1 19 . 1 1 9 9 ALA C C 9 179.548 179.548 179.842 -0.294 17558
2454 1 19 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.901 0.989 17558
2455 1 19 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.510 0.476 17558
2456 1 19 . 1 1 9 9 ALA H H 9 8.029 8.029 8.185 -0.156 17558
2457 1 19 . 1 1 10 10 GLY N N 10 120.112 120.112 106.180 13.932 17558
2458 1 19 . 1 1 10 10 GLY C C 10 175.031 175.031 175.786 -0.755 17558
2459 1 19 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.344 1.352 17558
2460 1 19 . 1 1 10 10 GLY H H 10 8.386 8.386 8.181 0.205 17558
2461 1 19 . 1 1 11 11 ALA N N 11 123.234 123.234 124.961 -1.727 17558
2462 1 19 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.215 -0.056 17558
2463 1 19 . 1 1 11 11 ALA C C 11 179.909 179.909 179.853 0.056 17558
2464 1 19 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.952 0.672 17558
2465 1 19 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.468 -0.310 17558
2466 1 19 . 1 1 11 11 ALA H H 11 8.392 8.392 8.141 0.251 17558
2467 1 19 . 1 1 12 12 VAL N N 12 117.423 117.423 116.271 1.152 17558
2468 1 19 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.758 -0.219 17558
2469 1 19 . 1 1 12 12 VAL C C 12 176.877 176.877 177.848 -0.971 17558
2470 1 19 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.837 1.846 17558
2471 1 19 . 1 1 12 12 VAL CB C 12 32.070 32.070 30.656 1.414 17558
2472 1 19 . 1 1 12 12 VAL H H 12 7.932 7.932 7.844 0.088 17558
2473 1 19 . 1 1 13 13 VAL N N 13 117.519 117.519 120.317 -2.798 17558
2474 1 19 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.733 -0.234 17558
2475 1 19 . 1 1 13 13 VAL C C 13 177.998 177.998 178.284 -0.286 17558
2476 1 19 . 1 1 13 13 VAL CA C 13 67.952 67.952 65.570 2.382 17558
2477 1 19 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.456 1.760 17558
2478 1 19 . 1 1 13 13 VAL H H 13 7.679 7.679 7.922 -0.243 17558
2479 1 19 . 1 1 14 14 GLY N N 14 122.695 122.695 106.936 15.759 17558
2480 1 19 . 1 1 14 14 GLY C C 14 175.640 175.640 176.305 -0.665 17558
2481 1 19 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.290 0.203 17558
2482 1 19 . 1 1 14 14 GLY H H 14 9.134 9.134 8.240 0.894 17558
2483 1 19 . 1 1 15 15 GLY N N 15 128.047 128.047 110.756 17.291 17558
2484 1 19 . 1 1 15 15 GLY C C 15 175.562 175.562 176.166 -0.604 17558
2485 1 19 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.553 1.323 17558
2486 1 19 . 1 1 15 15 GLY H H 15 8.635 8.635 7.810 0.825 17558
2487 1 19 . 1 1 16 16 LEU N N 16 121.900 121.900 120.294 1.606 17558
2488 1 19 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
2489 1 19 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
2490 1 19 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.698 1.212 17558
2491 1 19 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.204 1.339 17558
2492 1 19 . 1 1 16 16 LEU H H 16 8.137 8.137 7.851 0.286 17558
2493 1 19 . 1 1 17 17 GLY N N 17 122.360 122.360 107.405 14.955 17558
2494 1 19 . 1 1 17 17 GLY C C 17 175.280 175.280 175.891 -0.611 17558
2495 1 19 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.112 1.547 17558
2496 1 19 . 1 1 17 17 GLY H H 17 8.412 8.412 8.724 -0.312 17558
2497 1 19 . 1 1 18 18 GLY N N 18 126.401 126.401 109.071 17.330 17558
2498 1 19 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
2499 1 19 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.472 1.752 17558
2500 1 19 . 1 1 18 18 GLY H H 18 9.719 9.719 7.985 1.734 17558
2501 1 19 . 1 1 19 19 TYR N N 19 123.066 123.066 123.313 -0.247 17558
2502 1 19 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
2503 1 19 . 1 1 19 19 TYR C C 19 179.066 179.066 177.411 1.655 17558
2504 1 19 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.134 3.546 17558
2505 1 19 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.575 1.206 17558
2506 1 19 . 1 1 19 19 TYR H H 19 8.690 8.690 7.715 0.975 17558
2507 1 19 . 1 1 20 20 MET N N 20 119.540 119.540 117.945 1.595 17558
2508 1 19 . 1 1 20 20 MET HA H 20 3.980 3.980 3.668 0.312 17558
2509 1 19 . 1 1 20 20 MET C C 20 178.549 178.549 178.365 0.184 17558
2510 1 19 . 1 1 20 20 MET CA C 20 59.630 59.630 59.323 0.307 17558
2511 1 19 . 1 1 20 20 MET CB C 20 32.807 32.807 31.671 1.136 17558
2512 1 19 . 1 1 20 20 MET H H 20 8.367 8.367 7.824 0.543 17558
2513 1 19 . 1 1 21 21 LEU N N 21 119.740 119.740 119.483 0.257 17558
2514 1 19 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.084 0.027 17558
2515 1 19 . 1 1 21 21 LEU C C 21 178.592 178.592 179.464 -0.872 17558
2516 1 19 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.857 0.934 17558
2517 1 19 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.109 1.891 17558
2518 1 19 . 1 1 21 21 LEU H H 21 8.329 8.329 7.949 0.380 17558
2519 1 19 . 1 1 22 22 GLY N N 22 123.469 123.469 107.394 16.075 17558
2520 1 19 . 1 1 22 22 GLY C C 22 174.857 174.857 176.604 -1.747 17558
2521 1 19 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.199 0.494 17558
2522 1 19 . 1 1 22 22 GLY H H 22 9.027 9.027 7.704 1.323 17558
2523 1 19 . 1 1 23 23 SER N N 23 114.334 114.334 117.663 -3.329 17558
2524 1 19 . 1 1 23 23 SER HA H 23 3.975 3.975 4.414 -0.439 17558
2525 1 19 . 1 1 23 23 SER C C 23 175.751 175.751 176.665 -0.914 17558
2526 1 19 . 1 1 23 23 SER CA C 23 60.879 60.879 61.102 -0.223 17558
2527 1 19 . 1 1 23 23 SER CB C 23 63.977 63.977 63.125 0.852 17558
2528 1 19 . 1 1 23 23 SER H H 23 7.893 7.893 8.605 -0.712 17558
2529 1 19 . 1 1 24 24 ALA N N 24 123.192 123.192 124.305 -1.113 17558
2530 1 19 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.131 0.044 17558
2531 1 19 . 1 1 24 24 ALA C C 24 178.717 178.717 178.871 -0.154 17558
2532 1 19 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.913 -0.300 17558
2533 1 19 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.389 1.134 17558
2534 1 19 . 1 1 24 24 ALA H H 24 7.579 7.579 8.256 -0.677 17558
2535 1 19 . 1 1 25 25 MET N N 25 115.187 115.187 116.036 -0.849 17558
2536 1 19 . 1 1 25 25 MET HA H 25 4.418 4.418 4.346 0.072 17558
2537 1 19 . 1 1 25 25 MET C C 25 176.479 176.479 178.499 -2.020 17558
2538 1 19 . 1 1 25 25 MET CA C 25 56.754 56.754 57.862 -1.108 17558
2539 1 19 . 1 1 25 25 MET CB C 25 28.852 28.852 33.034 -4.182 17558
2540 1 19 . 1 1 25 25 MET H H 25 7.905 7.905 7.659 0.246 17558
2541 1 19 . 1 1 26 26 SER N N 26 124.236 124.236 115.548 8.688 17558
2542 1 19 . 1 1 26 26 SER HA H 26 4.419 4.419 4.323 0.096 17558
2543 1 19 . 1 1 26 26 SER C C 26 173.350 173.350 174.498 -1.148 17558
2544 1 19 . 1 1 26 26 SER CA C 26 59.343 59.343 60.022 -0.679 17558
2545 1 19 . 1 1 26 26 SER CB C 26 62.573 62.573 63.638 -1.065 17558
2546 1 19 . 1 1 26 26 SER H H 26 7.710 7.710 7.711 -0.001 17558
2547 1 20 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.486 -0.173 17558
2548 1 20 . 1 1 2 2 HIS C C 2 177.032 177.032 176.456 0.576 17558
2549 1 20 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.761 2.592 17558
2550 1 20 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.798 0.758 17558
2551 1 20 . 1 1 3 3 MET N N 3 118.797 118.797 117.671 1.126 17558
2552 1 20 . 1 1 3 3 MET HA H 3 4.116 4.116 4.326 -0.210 17558
2553 1 20 . 1 1 3 3 MET C C 3 177.497 177.497 177.526 -0.029 17558
2554 1 20 . 1 1 3 3 MET CA C 3 59.361 59.361 57.779 1.582 17558
2555 1 20 . 1 1 3 3 MET CB C 3 33.826 33.826 31.592 2.234 17558
2556 1 20 . 1 1 3 3 MET H H 3 8.055 8.055 8.126 -0.071 17558
2557 1 20 . 1 1 4 4 ALA N N 4 120.454 120.454 122.068 -1.614 17558
2558 1 20 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.190 -0.225 17558
2559 1 20 . 1 1 4 4 ALA C C 4 178.892 178.892 179.751 -0.859 17558
2560 1 20 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.944 1.107 17558
2561 1 20 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.023 0.781 17558
2562 1 20 . 1 1 4 4 ALA H H 4 8.279 8.279 7.693 0.586 17558
2563 1 20 . 1 1 5 5 GLY N N 5 121.085 121.085 106.891 14.194 17558
2564 1 20 . 1 1 5 5 GLY C C 5 174.212 174.212 175.718 -1.506 17558
2565 1 20 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.274 1.696 17558
2566 1 20 . 1 1 5 5 GLY H H 5 8.478 8.478 8.162 0.316 17558
2567 1 20 . 1 1 6 6 ALA N N 6 123.200 123.200 124.038 -0.838 17558
2568 1 20 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.167 0.078 17558
2569 1 20 . 1 1 6 6 ALA C C 6 179.297 179.297 179.518 -0.221 17558
2570 1 20 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.779 1.522 17558
2571 1 20 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.428 1.039 17558
2572 1 20 . 1 1 6 6 ALA H H 6 8.005 8.005 8.163 -0.158 17558
2573 1 20 . 1 1 7 7 ALA N N 7 119.489 119.489 120.766 -1.277 17558
2574 1 20 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.102 -0.239 17558
2575 1 20 . 1 1 7 7 ALA C C 7 178.133 178.133 179.444 -1.311 17558
2576 1 20 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.719 1.001 17558
2577 1 20 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.376 0.409 17558
2578 1 20 . 1 1 7 7 ALA H H 7 8.315 8.315 7.997 0.318 17558
2579 1 20 . 1 1 8 8 ALA N N 8 118.612 118.612 121.291 -2.679 17558
2580 1 20 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.054 -0.066 17558
2581 1 20 . 1 1 8 8 ALA C C 8 178.857 178.857 179.498 -0.641 17558
2582 1 20 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.907 1.182 17558
2583 1 20 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.363 0.274 17558
2584 1 20 . 1 1 8 8 ALA H H 8 8.294 8.294 7.964 0.330 17558
2585 1 20 . 1 1 9 9 ALA N N 9 118.968 118.968 120.205 -1.237 17558
2586 1 20 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.134 -0.273 17558
2587 1 20 . 1 1 9 9 ALA C C 9 179.548 179.548 179.829 -0.281 17558
2588 1 20 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.885 1.005 17558
2589 1 20 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.509 0.477 17558
2590 1 20 . 1 1 9 9 ALA H H 9 8.029 8.029 8.181 -0.152 17558
2591 1 20 . 1 1 10 10 GLY N N 10 120.112 120.112 106.189 13.923 17558
2592 1 20 . 1 1 10 10 GLY C C 10 175.031 175.031 175.784 -0.753 17558
2593 1 20 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.353 1.343 17558
2594 1 20 . 1 1 10 10 GLY H H 10 8.386 8.386 8.180 0.206 17558
2595 1 20 . 1 1 11 11 ALA N N 11 123.234 123.234 125.170 -1.936 17558
2596 1 20 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.182 -0.023 17558
2597 1 20 . 1 1 11 11 ALA C C 11 179.909 179.909 179.734 0.175 17558
2598 1 20 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.776 0.848 17558
2599 1 20 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.420 -0.262 17558
2600 1 20 . 1 1 11 11 ALA H H 11 8.392 8.392 8.080 0.312 17558
2601 1 20 . 1 1 12 12 VAL N N 12 117.423 117.423 115.780 1.643 17558
2602 1 20 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.606 -0.067 17558
2603 1 20 . 1 1 12 12 VAL C C 12 176.877 176.877 177.742 -0.865 17558
2604 1 20 . 1 1 12 12 VAL CA C 12 67.683 67.683 66.024 1.659 17558
2605 1 20 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.505 0.565 17558
2606 1 20 . 1 1 12 12 VAL H H 12 7.932 7.932 7.725 0.207 17558
2607 1 20 . 1 1 13 13 VAL N N 13 117.519 117.519 120.362 -2.843 17558
2608 1 20 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.618 -0.119 17558
2609 1 20 . 1 1 13 13 VAL C C 13 177.998 177.998 178.049 -0.051 17558
2610 1 20 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.975 0.977 17558
2611 1 20 . 1 1 13 13 VAL CB C 13 32.216 32.216 31.456 0.760 17558
2612 1 20 . 1 1 13 13 VAL H H 13 7.679 7.679 7.855 -0.176 17558
2613 1 20 . 1 1 14 14 GLY N N 14 122.695 122.695 106.686 16.009 17558
2614 1 20 . 1 1 14 14 GLY C C 14 175.640 175.640 176.184 -0.544 17558
2615 1 20 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.230 0.263 17558
2616 1 20 . 1 1 14 14 GLY H H 14 9.134 9.134 8.180 0.954 17558
2617 1 20 . 1 1 15 15 GLY N N 15 128.047 128.047 110.756 17.291 17558
2618 1 20 . 1 1 15 15 GLY C C 15 175.562 175.562 176.164 -0.602 17558
2619 1 20 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.551 1.325 17558
2620 1 20 . 1 1 15 15 GLY H H 15 8.635 8.635 7.811 0.824 17558
2621 1 20 . 1 1 16 16 LEU N N 16 121.900 121.900 120.291 1.609 17558
2622 1 20 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
2623 1 20 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
2624 1 20 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.694 1.216 17558
2625 1 20 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
2626 1 20 . 1 1 16 16 LEU H H 16 8.137 8.137 7.844 0.293 17558
2627 1 20 . 1 1 17 17 GLY N N 17 122.360 122.360 107.402 14.958 17558
2628 1 20 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
2629 1 20 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.108 1.552 17558
2630 1 20 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
2631 1 20 . 1 1 18 18 GLY N N 18 126.401 126.401 109.074 17.327 17558
2632 1 20 . 1 1 18 18 GLY C C 18 175.418 175.418 174.882 0.536 17558
2633 1 20 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
2634 1 20 . 1 1 18 18 GLY H H 18 9.719 9.719 7.984 1.735 17558
2635 1 20 . 1 1 19 19 TYR N N 19 123.066 123.066 123.303 -0.237 17558
2636 1 20 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
2637 1 20 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
2638 1 20 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.130 3.550 17558
2639 1 20 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.577 1.204 17558
2640 1 20 . 1 1 19 19 TYR H H 19 8.690 8.690 7.713 0.977 17558
2641 1 20 . 1 1 20 20 MET N N 20 119.540 119.540 117.901 1.639 17558
2642 1 20 . 1 1 20 20 MET HA H 20 3.980 3.980 3.678 0.302 17558
2643 1 20 . 1 1 20 20 MET C C 20 178.549 178.549 178.259 0.290 17558
2644 1 20 . 1 1 20 20 MET CA C 20 59.630 59.630 59.264 0.366 17558
2645 1 20 . 1 1 20 20 MET CB C 20 32.807 32.807 31.786 1.021 17558
2646 1 20 . 1 1 20 20 MET H H 20 8.367 8.367 7.763 0.604 17558
2647 1 20 . 1 1 21 21 LEU N N 21 119.740 119.740 119.300 0.440 17558
2648 1 20 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.140 -0.029 17558
2649 1 20 . 1 1 21 21 LEU C C 21 178.592 178.592 179.770 -1.178 17558
2650 1 20 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.425 1.366 17558
2651 1 20 . 1 1 21 21 LEU CB C 21 43.000 43.000 40.564 2.436 17558
2652 1 20 . 1 1 21 21 LEU H H 21 8.329 8.329 7.962 0.367 17558
2653 1 20 . 1 1 22 22 GLY N N 22 123.469 123.469 107.313 16.156 17558
2654 1 20 . 1 1 22 22 GLY C C 22 174.857 174.857 176.392 -1.535 17558
2655 1 20 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.086 0.607 17558
2656 1 20 . 1 1 22 22 GLY H H 22 9.027 9.027 7.757 1.270 17558
2657 1 20 . 1 1 23 23 SER N N 23 114.334 114.334 117.735 -3.401 17558
2658 1 20 . 1 1 23 23 SER HA H 23 3.975 3.975 4.334 -0.359 17558
2659 1 20 . 1 1 23 23 SER C C 23 175.751 175.751 176.591 -0.840 17558
2660 1 20 . 1 1 23 23 SER CA C 23 60.879 60.879 61.393 -0.514 17558
2661 1 20 . 1 1 23 23 SER CB C 23 63.977 63.977 63.340 0.637 17558
2662 1 20 . 1 1 23 23 SER H H 23 7.893 7.893 8.599 -0.706 17558
2663 1 20 . 1 1 24 24 ALA N N 24 123.192 123.192 125.209 -2.017 17558
2664 1 20 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.086 0.089 17558
2665 1 20 . 1 1 24 24 ALA C C 24 178.717 178.717 178.926 -0.209 17558
2666 1 20 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.587 0.025 17558
2667 1 20 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.377 1.146 17558
2668 1 20 . 1 1 24 24 ALA H H 24 7.579 7.579 8.281 -0.702 17558
2669 1 20 . 1 1 25 25 MET N N 25 115.187 115.187 116.487 -1.300 17558
2670 1 20 . 1 1 25 25 MET HA H 25 4.418 4.418 4.261 0.157 17558
2671 1 20 . 1 1 25 25 MET C C 25 176.479 176.479 178.092 -1.613 17558
2672 1 20 . 1 1 25 25 MET CA C 25 56.754 56.754 57.437 -0.683 17558
2673 1 20 . 1 1 25 25 MET CB C 25 28.852 28.852 33.396 -4.544 17558
2674 1 20 . 1 1 25 25 MET H H 25 7.905 7.905 7.546 0.359 17558
2675 1 20 . 1 1 26 26 SER N N 26 124.236 124.236 114.902 9.334 17558
2676 1 20 . 1 1 26 26 SER HA H 26 4.419 4.419 4.323 0.096 17558
2677 1 20 . 1 1 26 26 SER C C 26 173.350 173.350 175.322 -1.972 17558
2678 1 20 . 1 1 26 26 SER CA C 26 59.343 59.343 59.865 -0.522 17558
2679 1 20 . 1 1 26 26 SER CB C 26 62.573 62.573 63.707 -1.134 17558
2680 1 20 . 1 1 26 26 SER H H 26 7.710 7.710 7.562 0.148 17558
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 24 8.841 -4.391 7.839 17558
2 1 1 "Average Difference" HA 31 0.261 0.049 0.261 17558
3 1 1 "Average Difference" C 25 0.920 0.508 0.782 17558
4 1 1 "Average Difference" CA 25 1.485 -1.101 1.017 17558
5 1 1 "Average Difference" CB 18 1.595 -0.591 1.524 17558
6 1 1 "Average Difference" HN 24 0.649 -0.278 0.599 17558
7 1 2 "Average Difference" N 24 8.881 -4.438 7.859 17558
8 1 2 "Average Difference" HA 31 0.261 0.047 0.261 17558
9 1 2 "Average Difference" C 25 0.887 0.462 0.773 17558
10 1 2 "Average Difference" CA 25 1.407 -1.023 0.986 17558
11 1 2 "Average Difference" CB 18 1.489 -0.514 1.438 17558
12 1 2 "Average Difference" HN 24 0.657 -0.306 0.594 17558
13 1 3 "Average Difference" N 24 8.819 -4.433 7.789 17558
14 1 3 "Average Difference" HA 31 0.270 0.066 0.266 17558
15 1 3 "Average Difference" C 25 0.898 0.499 0.761 17558
16 1 3 "Average Difference" CA 25 1.518 -1.123 1.043 17558
17 1 3 "Average Difference" CB 18 1.592 -0.595 1.520 17558
18 1 3 "Average Difference" HN 24 0.643 -0.299 0.582 17558
19 1 4 "Average Difference" N 24 8.859 -4.455 7.821 17558
20 1 4 "Average Difference" HA 31 0.272 0.032 0.275 17558
21 1 4 "Average Difference" C 25 0.927 0.489 0.804 17558
22 1 4 "Average Difference" CA 25 1.429 -1.057 0.981 17558
23 1 4 "Average Difference" CB 18 1.483 -0.502 1.437 17558
24 1 4 "Average Difference" HN 24 0.660 -0.317 0.592 17558
25 1 5 "Average Difference" N 24 8.903 -4.544 7.820 17558
26 1 5 "Average Difference" HA 31 0.266 0.032 0.268 17558
27 1 5 "Average Difference" C 25 0.869 0.443 0.762 17558
28 1 5 "Average Difference" CA 25 1.400 -1.078 0.913 17558
29 1 5 "Average Difference" CB 18 1.525 -0.562 1.459 17558
30 1 5 "Average Difference" HN 24 0.659 -0.329 0.584 17558
31 1 6 "Average Difference" N 24 8.889 -4.450 7.861 17558
32 1 6 "Average Difference" HA 31 0.272 0.033 0.275 17558
33 1 6 "Average Difference" C 25 0.946 0.492 0.825 17558
34 1 6 "Average Difference" CA 25 1.446 -1.114 0.941 17558
35 1 6 "Average Difference" CB 18 1.485 -0.568 1.412 17558
36 1 6 "Average Difference" HN 24 0.664 -0.307 0.602 17558
37 1 7 "Average Difference" N 24 8.893 -4.529 7.819 17558
38 1 7 "Average Difference" HA 31 0.264 0.027 0.267 17558
39 1 7 "Average Difference" C 25 0.850 0.452 0.735 17558
40 1 7 "Average Difference" CA 25 1.434 -1.058 0.988 17558
41 1 7 "Average Difference" CB 18 1.485 -0.563 1.415 17558
42 1 7 "Average Difference" HN 24 0.664 -0.315 0.597 17558
43 1 8 "Average Difference" N 24 8.883 -4.500 7.823 17558
44 1 8 "Average Difference" HA 31 0.264 0.027 0.267 17558
45 1 8 "Average Difference" C 25 0.881 0.447 0.776 17558
46 1 8 "Average Difference" CA 25 1.447 -1.052 1.014 17558
47 1 8 "Average Difference" CB 18 1.509 -0.577 1.434 17558
48 1 8 "Average Difference" HN 24 0.656 -0.320 0.585 17558
49 1 9 "Average Difference" N 24 8.927 -4.579 7.829 17558
50 1 9 "Average Difference" HA 31 0.262 0.021 0.266 17558
51 1 9 "Average Difference" C 25 0.826 0.430 0.720 17558
52 1 9 "Average Difference" CA 25 1.369 -1.046 0.902 17558
53 1 9 "Average Difference" CB 18 1.412 -0.533 1.346 17558
54 1 9 "Average Difference" HN 24 0.671 -0.323 0.601 17558
55 1 10 "Average Difference" N 24 8.888 -4.426 7.874 17558
56 1 10 "Average Difference" HA 31 0.263 0.060 0.260 17558
57 1 10 "Average Difference" C 25 0.912 0.515 0.768 17558
58 1 10 "Average Difference" CA 25 1.425 -1.087 0.941 17558
59 1 10 "Average Difference" CB 18 1.573 -0.651 1.473 17558
60 1 10 "Average Difference" HN 24 0.660 -0.290 0.606 17558
61 1 11 "Average Difference" N 24 8.894 -4.450 7.865 17558
62 1 11 "Average Difference" HA 31 0.259 0.060 0.256 17558
63 1 11 "Average Difference" C 25 0.888 0.494 0.753 17558
64 1 11 "Average Difference" CA 25 1.370 -1.067 0.878 17558
65 1 11 "Average Difference" CB 18 1.476 -0.504 1.428 17558
66 1 11 "Average Difference" HN 24 0.657 -0.280 0.607 17558
67 1 12 "Average Difference" N 24 8.924 -4.520 7.860 17558
68 1 12 "Average Difference" HA 31 0.258 0.026 0.260 17558
69 1 12 "Average Difference" C 25 0.905 0.465 0.793 17558
70 1 12 "Average Difference" CA 25 1.445 -1.070 0.991 17558
71 1 12 "Average Difference" CB 18 1.523 -0.578 1.450 17558
72 1 12 "Average Difference" HN 24 0.666 -0.311 0.602 17558
73 1 13 "Average Difference" N 24 8.893 -4.407 7.890 17558
74 1 13 "Average Difference" HA 31 0.263 0.060 0.260 17558
75 1 13 "Average Difference" C 25 0.919 0.500 0.786 17558
76 1 13 "Average Difference" CA 25 1.374 -1.034 0.923 17558
77 1 13 "Average Difference" CB 18 1.500 -0.564 1.430 17558
78 1 13 "Average Difference" HN 24 0.657 -0.286 0.604 17558
79 1 14 "Average Difference" N 24 8.801 -4.511 7.720 17558
80 1 14 "Average Difference" HA 31 0.278 0.047 0.279 17558
81 1 14 "Average Difference" C 25 0.930 0.496 0.803 17558
82 1 14 "Average Difference" CA 25 1.418 -1.048 0.974 17558
83 1 14 "Average Difference" CB 18 1.560 -0.594 1.484 17558
84 1 14 "Average Difference" HN 24 0.647 -0.317 0.577 17558
85 1 15 "Average Difference" N 24 8.895 -4.535 7.816 17558
86 1 15 "Average Difference" HA 31 0.273 0.038 0.275 17558
87 1 15 "Average Difference" C 25 0.894 0.460 0.782 17558
88 1 15 "Average Difference" CA 25 1.455 -1.070 1.007 17558
89 1 15 "Average Difference" CB 18 1.514 -0.587 1.436 17558
90 1 15 "Average Difference" HN 24 0.658 -0.327 0.583 17558
91 1 16 "Average Difference" N 24 8.917 -4.465 7.884 17558
92 1 16 "Average Difference" HA 31 0.263 0.018 0.266 17558
93 1 16 "Average Difference" C 25 0.885 0.457 0.774 17558
94 1 16 "Average Difference" CA 25 1.470 -1.087 1.010 17558
95 1 16 "Average Difference" CB 18 1.381 -0.464 1.339 17558
96 1 16 "Average Difference" HN 24 0.664 -0.305 0.603 17558
97 1 17 "Average Difference" N 24 8.843 -4.457 7.802 17558
98 1 17 "Average Difference" HA 31 0.270 0.035 0.272 17558
99 1 17 "Average Difference" C 25 0.840 0.417 0.744 17558
100 1 17 "Average Difference" CA 25 1.467 -1.092 0.999 17558
101 1 17 "Average Difference" CB 18 1.523 -0.530 1.469 17558
102 1 17 "Average Difference" HN 24 0.661 -0.312 0.595 17558
103 1 18 "Average Difference" N 24 8.835 -4.373 7.842 17558
104 1 18 "Average Difference" HA 31 0.260 0.042 0.260 17558
105 1 18 "Average Difference" C 25 0.891 0.455 0.782 17558
106 1 18 "Average Difference" CA 25 1.479 -1.123 0.982 17558
107 1 18 "Average Difference" CB 18 1.547 -0.686 1.426 17558
108 1 18 "Average Difference" HN 24 0.649 -0.304 0.586 17558
109 1 19 "Average Difference" N 24 8.768 -4.388 7.754 17558
110 1 19 "Average Difference" HA 31 0.266 0.056 0.264 17558
111 1 19 "Average Difference" C 25 0.918 0.502 0.785 17558
112 1 19 "Average Difference" CA 25 1.495 -1.084 1.051 17558
113 1 19 "Average Difference" CB 18 1.459 -0.559 1.387 17558
114 1 19 "Average Difference" HN 24 0.637 -0.279 0.586 17558
115 1 20 "Average Difference" N 24 8.839 -4.428 7.814 17558
116 1 20 "Average Difference" HA 31 0.259 0.039 0.260 17558
117 1 20 "Average Difference" C 25 0.940 0.493 0.817 17558
118 1 20 "Average Difference" CA 25 1.415 -1.073 0.941 17558
119 1 20 "Average Difference" CB 18 1.538 -0.508 1.494 17558
120 1 20 "Average Difference" HN 24 0.643 -0.314 0.573 17558
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 17558
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 HIS HA H 2 4.313 4.313 4.598 -0.285 17558
2 1 . 1 1 2 2 HIS C C 2 177.032 177.032 176.350 0.682 17558
3 1 . 1 1 2 2 HIS CA C 2 59.353 59.353 56.966 2.387 17558
4 1 . 1 1 2 2 HIS CB C 2 30.556 30.556 29.679 0.877 17558
5 1 . 1 1 3 3 MET N N 3 118.797 118.797 117.485 1.312 17558
6 1 . 1 1 3 3 MET HA H 3 4.116 4.116 4.277 -0.161 17558
7 1 . 1 1 3 3 MET C C 3 177.497 177.497 177.671 -0.174 17558
8 1 . 1 1 3 3 MET CA C 3 59.361 59.361 57.803 1.558 17558
9 1 . 1 1 3 3 MET CB C 3 33.826 33.826 31.639 2.187 17558
10 1 . 1 1 3 3 MET H H 3 8.055 8.055 8.122 -0.067 17558
11 1 . 1 1 4 4 ALA N N 4 120.454 120.454 121.887 -1.433 17558
12 1 . 1 1 4 4 ALA HA H 4 3.965 3.965 4.160 -0.195 17558
13 1 . 1 1 4 4 ALA C C 4 178.892 178.892 179.695 -0.803 17558
14 1 . 1 1 4 4 ALA CA C 4 56.051 56.051 54.901 1.150 17558
15 1 . 1 1 4 4 ALA CB C 4 18.804 18.804 18.008 0.796 17558
16 1 . 1 1 4 4 ALA H H 4 8.279 8.279 7.650 0.629 17558
17 1 . 1 1 5 5 GLY N N 5 121.085 121.085 106.803 14.282 17558
18 1 . 1 1 5 5 GLY C C 5 174.212 174.212 175.643 -1.431 17558
19 1 . 1 1 5 5 GLY CA C 5 47.970 47.970 46.213 1.757 17558
20 1 . 1 1 5 5 GLY H H 5 8.478 8.478 8.076 0.402 17558
21 1 . 1 1 6 6 ALA N N 6 123.200 123.200 123.933 -0.733 17558
22 1 . 1 1 6 6 ALA HA H 6 4.245 4.245 4.129 0.116 17558
23 1 . 1 1 6 6 ALA C C 6 179.297 179.297 179.487 -0.190 17558
24 1 . 1 1 6 6 ALA CA C 6 56.301 56.301 54.735 1.566 17558
25 1 . 1 1 6 6 ALA CB C 6 19.467 19.467 18.380 1.087 17558
26 1 . 1 1 6 6 ALA H H 6 8.005 8.005 8.026 -0.021 17558
27 1 . 1 1 7 7 ALA N N 7 119.489 119.489 120.732 -1.243 17558
28 1 . 1 1 7 7 ALA HA H 7 3.863 3.863 4.087 -0.224 17558
29 1 . 1 1 7 7 ALA C C 7 178.133 178.133 179.430 -1.297 17558
30 1 . 1 1 7 7 ALA CA C 7 55.720 55.720 54.705 1.015 17558
31 1 . 1 1 7 7 ALA CB C 7 18.785 18.785 18.357 0.428 17558
32 1 . 1 1 7 7 ALA H H 7 8.315 8.315 7.961 0.354 17558
33 1 . 1 1 8 8 ALA N N 8 118.612 118.612 121.275 -2.663 17558
34 1 . 1 1 8 8 ALA HA H 8 3.988 3.988 4.045 -0.057 17558
35 1 . 1 1 8 8 ALA C C 8 178.857 178.857 179.490 -0.633 17558
36 1 . 1 1 8 8 ALA CA C 8 56.089 56.089 54.897 1.192 17558
37 1 . 1 1 8 8 ALA CB C 8 18.637 18.637 18.352 0.285 17558
38 1 . 1 1 8 8 ALA H H 8 8.294 8.294 7.943 0.351 17558
39 1 . 1 1 9 9 ALA N N 9 118.968 118.968 120.201 -1.233 17558
40 1 . 1 1 9 9 ALA HA H 9 3.861 3.861 4.132 -0.271 17558
41 1 . 1 1 9 9 ALA C C 9 179.548 179.548 179.829 -0.281 17558
42 1 . 1 1 9 9 ALA CA C 9 55.890 55.890 54.885 1.005 17558
43 1 . 1 1 9 9 ALA CB C 9 18.986 18.986 18.508 0.478 17558
44 1 . 1 1 9 9 ALA H H 9 8.029 8.029 8.170 -0.141 17558
45 1 . 1 1 10 10 GLY N N 10 120.112 120.112 106.181 13.931 17558
46 1 . 1 1 10 10 GLY C C 10 175.031 175.031 175.781 -0.750 17558
47 1 . 1 1 10 10 GLY CA C 10 47.696 47.696 46.346 1.350 17558
48 1 . 1 1 10 10 GLY H H 10 8.386 8.386 8.170 0.216 17558
49 1 . 1 1 11 11 ALA N N 11 123.234 123.234 125.039 -1.805 17558
50 1 . 1 1 11 11 ALA HA H 11 4.159 4.159 4.192 -0.033 17558
51 1 . 1 1 11 11 ALA C C 11 179.909 179.909 179.794 0.115 17558
52 1 . 1 1 11 11 ALA CA C 11 55.624 55.624 54.870 0.754 17558
53 1 . 1 1 11 11 ALA CB C 11 18.158 18.158 18.462 -0.304 17558
54 1 . 1 1 11 11 ALA H H 11 8.392 8.392 8.108 0.284 17558
55 1 . 1 1 12 12 VAL N N 12 117.423 117.423 116.279 1.144 17558
56 1 . 1 1 12 12 VAL HA H 12 3.539 3.539 3.706 -0.167 17558
57 1 . 1 1 12 12 VAL C C 12 176.877 176.877 177.752 -0.875 17558
58 1 . 1 1 12 12 VAL CA C 12 67.683 67.683 65.685 1.998 17558
59 1 . 1 1 12 12 VAL CB C 12 32.070 32.070 31.019 1.051 17558
60 1 . 1 1 12 12 VAL H H 12 7.932 7.932 7.767 0.165 17558
61 1 . 1 1 13 13 VAL N N 13 117.519 117.519 120.170 -2.651 17558
62 1 . 1 1 13 13 VAL HA H 13 3.499 3.499 3.652 -0.153 17558
63 1 . 1 1 13 13 VAL C C 13 177.998 177.998 178.144 -0.146 17558
64 1 . 1 1 13 13 VAL CA C 13 67.952 67.952 66.488 1.464 17558
65 1 . 1 1 13 13 VAL CB C 13 32.216 32.216 30.987 1.229 17558
66 1 . 1 1 13 13 VAL H H 13 7.679 7.679 7.877 -0.198 17558
67 1 . 1 1 14 14 GLY N N 14 122.695 122.695 106.834 15.861 17558
68 1 . 1 1 14 14 GLY C C 14 175.640 175.640 176.225 -0.585 17558
69 1 . 1 1 14 14 GLY CA C 14 47.493 47.493 47.251 0.242 17558
70 1 . 1 1 14 14 GLY H H 14 9.134 9.134 8.223 0.911 17558
71 1 . 1 1 15 15 GLY N N 15 128.047 128.047 110.755 17.292 17558
72 1 . 1 1 15 15 GLY C C 15 175.562 175.562 176.163 -0.601 17558
73 1 . 1 1 15 15 GLY CA C 15 47.876 47.876 46.550 1.326 17558
74 1 . 1 1 15 15 GLY H H 15 8.635 8.635 7.809 0.826 17558
75 1 . 1 1 16 16 LEU N N 16 121.900 121.900 120.292 1.608 17558
76 1 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.425 -0.329 17558
77 1 . 1 1 16 16 LEU C C 16 179.090 179.090 179.018 0.072 17558
78 1 . 1 1 16 16 LEU CA C 16 58.910 58.910 57.696 1.214 17558
79 1 . 1 1 16 16 LEU CB C 16 42.543 42.543 41.205 1.338 17558
80 1 . 1 1 16 16 LEU H H 16 8.137 8.137 7.845 0.292 17558
81 1 . 1 1 17 17 GLY N N 17 122.360 122.360 107.401 14.959 17558
82 1 . 1 1 17 17 GLY C C 17 175.280 175.280 175.890 -0.610 17558
83 1 . 1 1 17 17 GLY CA C 17 48.659 48.659 47.109 1.550 17558
84 1 . 1 1 17 17 GLY H H 17 8.412 8.412 8.725 -0.313 17558
85 1 . 1 1 18 18 GLY N N 18 126.401 126.401 109.072 17.329 17558
86 1 . 1 1 18 18 GLY C C 18 175.418 175.418 174.881 0.537 17558
87 1 . 1 1 18 18 GLY CA C 18 48.225 48.225 46.471 1.754 17558
88 1 . 1 1 18 18 GLY H H 18 9.719 9.719 7.984 1.735 17558
89 1 . 1 1 19 19 TYR N N 19 123.066 123.066 123.306 -0.240 17558
90 1 . 1 1 19 19 TYR HA H 19 4.093 4.093 4.295 -0.202 17558
91 1 . 1 1 19 19 TYR C C 19 179.066 179.066 177.409 1.657 17558
92 1 . 1 1 19 19 TYR CA C 19 62.680 62.680 59.131 3.549 17558
93 1 . 1 1 19 19 TYR CB C 19 39.781 39.781 38.577 1.204 17558
94 1 . 1 1 19 19 TYR H H 19 8.690 8.690 7.714 0.976 17558
95 1 . 1 1 20 20 MET N N 20 119.540 119.540 117.851 1.689 17558
96 1 . 1 1 20 20 MET HA H 20 3.980 3.980 3.676 0.304 17558
97 1 . 1 1 20 20 MET C C 20 178.549 178.549 178.301 0.248 17558
98 1 . 1 1 20 20 MET CA C 20 59.630 59.630 59.331 0.299 17558
99 1 . 1 1 20 20 MET CB C 20 32.807 32.807 31.727 1.080 17558
100 1 . 1 1 20 20 MET H H 20 8.367 8.367 7.762 0.605 17558
101 1 . 1 1 21 21 LEU N N 21 119.740 119.740 119.394 0.346 17558
102 1 . 1 1 21 21 LEU HA H 21 4.111 4.111 4.107 0.004 17558
103 1 . 1 1 21 21 LEU C C 21 178.592 178.592 179.538 -0.946 17558
104 1 . 1 1 21 21 LEU CA C 21 58.791 58.791 57.839 0.952 17558
105 1 . 1 1 21 21 LEU CB C 21 43.000 43.000 41.030 1.970 17558
106 1 . 1 1 21 21 LEU H H 21 8.329 8.329 7.951 0.378 17558
107 1 . 1 1 22 22 GLY N N 22 123.469 123.469 107.033 16.436 17558
108 1 . 1 1 22 22 GLY C C 22 174.857 174.857 176.251 -1.394 17558
109 1 . 1 1 22 22 GLY CA C 22 47.693 47.693 47.142 0.551 17558
110 1 . 1 1 22 22 GLY H H 22 9.027 9.027 7.713 1.314 17558
111 1 . 1 1 23 23 SER N N 23 114.334 114.334 117.646 -3.312 17558
112 1 . 1 1 23 23 SER HA H 23 3.975 3.975 4.343 -0.368 17558
113 1 . 1 1 23 23 SER C C 23 175.751 175.751 176.591 -0.840 17558
114 1 . 1 1 23 23 SER CA C 23 60.879 60.879 61.073 -0.194 17558
115 1 . 1 1 23 23 SER CB C 23 63.977 63.977 63.261 0.716 17558
116 1 . 1 1 23 23 SER H H 23 7.893 7.893 8.616 -0.723 17558
117 1 . 1 1 24 24 ALA N N 24 123.192 123.192 125.092 -1.900 17558
118 1 . 1 1 24 24 ALA HA H 24 4.175 4.175 4.102 0.073 17558
119 1 . 1 1 24 24 ALA C C 24 178.717 178.717 179.136 -0.419 17558
120 1 . 1 1 24 24 ALA CA C 24 54.613 54.613 54.774 -0.161 17558
121 1 . 1 1 24 24 ALA CB C 24 19.523 19.523 18.373 1.150 17558
122 1 . 1 1 24 24 ALA H H 24 7.579 7.579 8.463 -0.884 17558
123 1 . 1 1 25 25 MET N N 25 115.187 115.187 116.751 -1.563 17558
124 1 . 1 1 25 25 MET HA H 25 4.418 4.418 4.316 0.101 17558
125 1 . 1 1 25 25 MET C C 25 176.479 176.479 178.226 -1.747 17558
126 1 . 1 1 25 25 MET CA C 25 56.754 56.754 57.591 -0.837 17558
127 1 . 1 1 25 25 MET CB C 25 28.852 28.852 33.119 -4.267 17558
128 1 . 1 1 25 25 MET H H 25 7.905 7.905 7.746 0.159 17558
129 1 . 1 1 26 26 SER N N 26 124.236 124.236 114.513 9.723 17558
130 1 . 1 1 26 26 SER HA H 26 4.419 4.419 4.335 0.085 17558
131 1 . 1 1 26 26 SER C C 26 173.350 173.350 174.783 -1.433 17558
132 1 . 1 1 26 26 SER CA C 26 59.343 59.343 59.927 -0.584 17558
133 1 . 1 1 26 26 SER CB C 26 62.573 62.573 63.772 -1.199 17558
134 1 . 1 1 26 26 SER H H 26 7.710 7.710 7.618 0.092 17558
stop_
save_