data_25783
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25783
_Entry.PDB_ID 2N6V
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 25783
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.643 0.112 25783
2 1 1 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.432 -4.911 25783
3 1 1 . 1 1 3 3 THR HA H 3 4.661 4.661 4.284 0.377 25783
4 1 1 . 1 1 3 3 THR CA C 3 58.119 58.119 60.516 -2.397 25783
5 1 1 . 1 1 3 3 THR CB C 3 67.067 67.067 69.299 -2.232 25783
6 1 1 . 1 1 3 3 THR H H 3 7.697 7.697 7.811 -0.114 25783
7 1 1 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.260 -0.097 25783
8 1 1 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.884 -2.665 25783
9 1 1 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.097 -3.873 25783
10 1 1 . 1 1 5 5 MET HA H 5 4.630 4.630 4.490 0.140 25783
11 1 1 . 1 1 5 5 MET CB C 5 31.723 31.723 32.649 -0.926 25783
12 1 1 . 1 1 5 5 MET H H 5 7.527 7.527 7.500 0.027 25783
13 1 1 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.833 0.009 25783
14 1 1 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.495 -1.218 25783
15 1 1 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.354 -2.073 25783
16 1 1 . 1 1 6 6 VAL H H 6 8.442 8.442 8.670 -0.228 25783
17 1 1 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.728 -2.445 25783
18 1 1 . 1 1 7 7 GLY H H 7 8.267 8.267 7.635 0.632 25783
19 1 1 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.341 -0.255 25783
20 1 1 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.382 -3.248 25783
21 1 1 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.701 -2.743 25783
22 1 1 . 1 1 8 8 LEU H H 8 6.472 6.472 8.001 -1.529 25783
23 1 1 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.960 -0.290 25783
24 1 1 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.201 -3.502 25783
25 1 1 . 1 1 9 9 ASP H H 9 8.401 8.401 8.231 0.170 25783
26 1 1 . 1 1 10 10 SER HA H 10 4.254 4.254 4.210 0.044 25783
27 1 1 . 1 1 10 10 SER CA C 10 57.056 57.056 60.127 -3.071 25783
28 1 1 . 1 1 10 10 SER CB C 10 60.570 60.570 63.637 -3.067 25783
29 1 1 . 1 1 10 10 SER H H 10 9.124 9.124 9.307 -0.183 25783
30 1 1 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.274 -0.190 25783
31 1 1 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.241 -1.491 25783
32 1 1 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.724 -3.156 25783
33 1 1 . 1 1 11 11 VAL H H 11 8.901 8.901 8.510 0.391 25783
34 1 1 . 1 1 12 12 SER HA H 12 4.436 4.436 4.608 -0.172 25783
35 1 1 . 1 1 12 12 SER CA C 12 55.999 55.999 58.523 -2.523 25783
36 1 1 . 1 1 12 12 SER CB C 12 61.279 61.279 65.252 -3.973 25783
37 1 1 . 1 1 12 12 SER H H 12 7.699 7.699 8.454 -0.755 25783
38 1 1 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.759 -2.456 25783
39 1 1 . 1 1 13 13 GLY H H 13 8.537 8.537 8.007 0.530 25783
40 1 1 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.220 0.041 25783
41 1 1 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.499 -3.455 25783
42 1 1 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.310 -2.505 25783
43 1 1 . 1 1 14 14 GLN H H 14 8.150 8.150 8.537 -0.387 25783
44 1 1 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.979 -0.045 25783
45 1 1 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.030 -3.660 25783
46 1 1 . 1 1 15 15 TYR H H 15 8.232 8.232 7.345 0.887 25783
47 1 1 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.978 -0.781 25783
48 1 1 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.947 -3.483 25783
49 1 1 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.071 -2.043 25783
50 1 1 . 1 1 16 16 TRP H H 16 8.641 8.641 8.903 -0.262 25783
51 1 1 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.581 -0.286 25783
52 1 1 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.673 -2.945 25783
53 1 1 . 1 1 17 17 ASP CB C 17 37.014 37.014 41.494 -4.480 25783
54 1 1 . 1 1 17 17 ASP H H 17 7.381 7.381 8.715 -1.334 25783
55 1 1 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.568 -1.147 25783
56 1 1 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.373 -1.830 25783
57 1 1 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.828 -2.361 25783
58 1 1 . 1 1 18 18 GLN H H 18 7.690 7.690 8.313 -0.623 25783
59 1 1 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.658 -0.183 25783
60 1 1 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.039 -3.904 25783
61 1 1 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.410 -3.946 25783
62 1 1 . 1 1 19 19 HIS H H 19 8.232 8.232 8.058 0.174 25783
63 1 1 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.590 -0.169 25783
64 1 1 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.627 -2.709 25783
65 1 1 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.854 -3.641 25783
66 1 1 . 1 1 20 20 ALA H H 20 8.285 8.285 8.578 -0.293 25783
67 1 1 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.584 -0.293 25783
68 1 1 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.526 -2.158 25783
69 1 1 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.028 -0.784 25783
70 1 1 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.474 -0.330 25783
71 1 1 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.025 -2.698 25783
72 1 1 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.441 -2.829 25783
73 1 1 . 1 1 22 22 LEU H H 22 8.178 8.178 8.025 0.153 25783
74 1 1 . 1 1 23 23 ALA HA H 23 4.200 4.200 5.020 -0.820 25783
75 1 1 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.582 -2.103 25783
76 1 1 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.031 -4.455 25783
77 1 1 . 1 1 23 23 ALA H H 23 8.121 8.121 8.775 -0.654 25783
78 1 2 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.575 0.180 25783
79 1 2 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.793 -5.272 25783
80 1 2 . 1 1 3 3 THR HA H 3 4.661 4.661 4.291 0.370 25783
81 1 2 . 1 1 3 3 THR CA C 3 58.119 58.119 60.259 -2.140 25783
82 1 2 . 1 1 3 3 THR CB C 3 67.067 67.067 69.370 -2.303 25783
83 1 2 . 1 1 3 3 THR H H 3 7.697 7.697 7.649 0.048 25783
84 1 2 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.327 -0.164 25783
85 1 2 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.083 -2.864 25783
86 1 2 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.004 -3.780 25783
87 1 2 . 1 1 5 5 MET HA H 5 4.630 4.630 4.536 0.094 25783
88 1 2 . 1 1 5 5 MET CB C 5 31.723 31.723 32.141 -0.418 25783
89 1 2 . 1 1 5 5 MET H H 5 7.527 7.527 7.480 0.047 25783
90 1 2 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.787 0.055 25783
91 1 2 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.282 -2.006 25783
92 1 2 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.502 -1.221 25783
93 1 2 . 1 1 6 6 VAL H H 6 8.442 8.442 8.522 -0.080 25783
94 1 2 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.632 -3.349 25783
95 1 2 . 1 1 7 7 GLY H H 7 8.267 8.267 8.537 -0.270 25783
96 1 2 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.936 -0.850 25783
97 1 2 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.072 -0.938 25783
98 1 2 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.815 -4.857 25783
99 1 2 . 1 1 8 8 LEU H H 8 6.472 6.472 7.673 -1.201 25783
100 1 2 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.788 -0.118 25783
101 1 2 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.543 -3.844 25783
102 1 2 . 1 1 9 9 ASP H H 9 8.401 8.401 8.607 -0.206 25783
103 1 2 . 1 1 10 10 SER HA H 10 4.254 4.254 4.312 -0.058 25783
104 1 2 . 1 1 10 10 SER CA C 10 57.056 57.056 61.111 -4.055 25783
105 1 2 . 1 1 10 10 SER CB C 10 60.570 60.570 63.715 -3.144 25783
106 1 2 . 1 1 10 10 SER H H 10 9.124 9.124 8.772 0.352 25783
107 1 2 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.080 0.004 25783
108 1 2 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.651 -0.901 25783
109 1 2 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.329 -2.761 25783
110 1 2 . 1 1 11 11 VAL H H 11 8.901 8.901 7.808 1.093 25783
111 1 2 . 1 1 12 12 SER HA H 12 4.436 4.436 4.601 -0.165 25783
112 1 2 . 1 1 12 12 SER CA C 12 55.999 55.999 57.686 -1.687 25783
113 1 2 . 1 1 12 12 SER CB C 12 61.279 61.279 64.502 -3.223 25783
114 1 2 . 1 1 12 12 SER H H 12 7.699 7.699 8.065 -0.366 25783
115 1 2 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.825 -2.522 25783
116 1 2 . 1 1 13 13 GLY H H 13 8.537 8.537 8.368 0.169 25783
117 1 2 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.450 -0.189 25783
118 1 2 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.082 -2.038 25783
119 1 2 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.835 -3.030 25783
120 1 2 . 1 1 14 14 GLN H H 14 8.150 8.150 8.723 -0.573 25783
121 1 2 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.248 -0.314 25783
122 1 2 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.605 -4.234 25783
123 1 2 . 1 1 15 15 TYR H H 15 8.232 8.232 7.612 0.620 25783
124 1 2 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.879 -0.682 25783
125 1 2 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.976 -4.512 25783
126 1 2 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.333 -2.305 25783
127 1 2 . 1 1 16 16 TRP H H 16 8.641 8.641 9.143 -0.502 25783
128 1 2 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.853 -0.558 25783
129 1 2 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.025 -2.297 25783
130 1 2 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.190 -6.176 25783
131 1 2 . 1 1 17 17 ASP H H 17 7.381 7.381 8.751 -1.370 25783
132 1 2 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.347 -0.926 25783
133 1 2 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.332 -1.789 25783
134 1 2 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.859 -2.392 25783
135 1 2 . 1 1 18 18 GLN H H 18 7.690 7.690 8.454 -0.764 25783
136 1 2 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.518 -0.043 25783
137 1 2 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.249 -4.114 25783
138 1 2 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.278 -3.814 25783
139 1 2 . 1 1 19 19 HIS H H 19 8.232 8.232 7.323 0.909 25783
140 1 2 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.212 0.209 25783
141 1 2 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.515 -3.597 25783
142 1 2 . 1 1 20 20 ALA CB C 20 15.213 15.213 17.341 -2.128 25783
143 1 2 . 1 1 20 20 ALA H H 20 8.285 8.285 8.922 -0.637 25783
144 1 2 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.556 -0.265 25783
145 1 2 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.807 -2.439 25783
146 1 2 . 1 1 21 21 PRO CB C 21 29.244 29.244 29.844 -0.600 25783
147 1 2 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.415 -0.271 25783
148 1 2 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.036 -2.709 25783
149 1 2 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.465 -2.853 25783
150 1 2 . 1 1 22 22 LEU H H 22 8.178 8.178 7.698 0.480 25783
151 1 2 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.900 -0.700 25783
152 1 2 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.830 -2.351 25783
153 1 2 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.069 -4.493 25783
154 1 2 . 1 1 23 23 ALA H H 23 8.121 8.121 8.778 -0.657 25783
155 1 3 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.700 0.055 25783
156 1 3 . 1 1 2 2 PRO CB C 2 27.521 27.521 30.263 -2.742 25783
157 1 3 . 1 1 3 3 THR HA H 3 4.661 4.661 4.729 -0.068 25783
158 1 3 . 1 1 3 3 THR CA C 3 58.119 58.119 57.869 0.250 25783
159 1 3 . 1 1 3 3 THR CB C 3 67.067 67.067 70.172 -3.105 25783
160 1 3 . 1 1 3 3 THR H H 3 7.697 7.697 7.622 0.075 25783
161 1 3 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.111 0.052 25783
162 1 3 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.660 -3.441 25783
163 1 3 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.142 -3.917 25783
164 1 3 . 1 1 5 5 MET HA H 5 4.630 4.630 4.412 0.218 25783
165 1 3 . 1 1 5 5 MET CB C 5 31.723 31.723 31.729 -0.006 25783
166 1 3 . 1 1 5 5 MET H H 5 7.527 7.527 7.573 -0.046 25783
167 1 3 . 1 1 6 6 VAL HA H 6 3.842 3.842 4.329 -0.487 25783
168 1 3 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.405 -1.128 25783
169 1 3 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.182 -2.901 25783
170 1 3 . 1 1 6 6 VAL H H 6 8.442 8.442 8.071 0.371 25783
171 1 3 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.870 -2.587 25783
172 1 3 . 1 1 7 7 GLY H H 7 8.267 8.267 8.237 0.030 25783
173 1 3 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.738 -0.652 25783
174 1 3 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.525 -1.391 25783
175 1 3 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.053 -4.095 25783
176 1 3 . 1 1 8 8 LEU H H 8 6.472 6.472 8.020 -1.548 25783
177 1 3 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.805 -0.135 25783
178 1 3 . 1 1 9 9 ASP CB C 9 39.699 39.699 44.176 -4.477 25783
179 1 3 . 1 1 9 9 ASP H H 9 8.401 8.401 8.316 0.085 25783
180 1 3 . 1 1 10 10 SER HA H 10 4.254 4.254 4.259 -0.005 25783
181 1 3 . 1 1 10 10 SER CA C 10 57.056 57.056 60.667 -3.611 25783
182 1 3 . 1 1 10 10 SER CB C 10 60.570 60.570 63.617 -3.046 25783
183 1 3 . 1 1 10 10 SER H H 10 9.124 9.124 8.585 0.539 25783
184 1 3 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.220 -0.136 25783
185 1 3 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.498 -0.748 25783
186 1 3 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.319 -2.751 25783
187 1 3 . 1 1 11 11 VAL H H 11 8.901 8.901 8.200 0.701 25783
188 1 3 . 1 1 12 12 SER HA H 12 4.436 4.436 4.587 -0.151 25783
189 1 3 . 1 1 12 12 SER CA C 12 55.999 55.999 57.770 -1.770 25783
190 1 3 . 1 1 12 12 SER CB C 12 61.279 61.279 64.995 -3.716 25783
191 1 3 . 1 1 12 12 SER H H 12 7.699 7.699 7.869 -0.170 25783
192 1 3 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.510 -2.207 25783
193 1 3 . 1 1 13 13 GLY H H 13 8.537 8.537 8.310 0.227 25783
194 1 3 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.076 0.185 25783
195 1 3 . 1 1 14 14 GLN CA C 14 53.044 53.044 57.236 -4.192 25783
196 1 3 . 1 1 14 14 GLN CB C 14 26.805 26.805 28.756 -1.951 25783
197 1 3 . 1 1 14 14 GLN H H 14 8.150 8.150 8.525 -0.375 25783
198 1 3 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.200 -0.266 25783
199 1 3 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.497 -4.127 25783
200 1 3 . 1 1 15 15 TYR H H 15 8.232 8.232 7.453 0.779 25783
201 1 3 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.903 -0.706 25783
202 1 3 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.005 -3.541 25783
203 1 3 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.822 -1.794 25783
204 1 3 . 1 1 16 16 TRP H H 16 8.641 8.641 9.126 -0.485 25783
205 1 3 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.652 -0.357 25783
206 1 3 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.675 -2.947 25783
207 1 3 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.306 -5.292 25783
208 1 3 . 1 1 17 17 ASP H H 17 7.381 7.381 8.671 -1.290 25783
209 1 3 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.552 -1.131 25783
210 1 3 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.911 -1.368 25783
211 1 3 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.898 -2.430 25783
212 1 3 . 1 1 18 18 GLN H H 18 7.690 7.690 8.497 -0.807 25783
213 1 3 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.440 0.035 25783
214 1 3 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.453 -5.318 25783
215 1 3 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.670 -4.206 25783
216 1 3 . 1 1 19 19 HIS H H 19 8.232 8.232 8.222 0.010 25783
217 1 3 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.014 0.407 25783
218 1 3 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.908 -3.990 25783
219 1 3 . 1 1 20 20 ALA CB C 20 15.213 15.213 17.245 -2.032 25783
220 1 3 . 1 1 20 20 ALA H H 20 8.285 8.285 8.120 0.165 25783
221 1 3 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.454 -0.163 25783
222 1 3 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.760 -2.392 25783
223 1 3 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.623 -3.379 25783
224 1 3 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.850 -0.706 25783
225 1 3 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.151 -1.824 25783
226 1 3 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.759 -4.147 25783
227 1 3 . 1 1 22 22 LEU H H 22 8.178 8.178 7.974 0.204 25783
228 1 3 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.638 -0.438 25783
229 1 3 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.045 -2.566 25783
230 1 3 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.590 -2.014 25783
231 1 3 . 1 1 23 23 ALA H H 23 8.121 8.121 8.777 -0.656 25783
232 1 4 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.471 0.284 25783
233 1 4 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.181 -4.660 25783
234 1 4 . 1 1 3 3 THR HA H 3 4.661 4.661 4.490 0.171 25783
235 1 4 . 1 1 3 3 THR CA C 3 58.119 58.119 59.977 -1.859 25783
236 1 4 . 1 1 3 3 THR CB C 3 67.067 67.067 69.178 -2.111 25783
237 1 4 . 1 1 3 3 THR H H 3 7.697 7.697 7.685 0.012 25783
238 1 4 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.474 -0.311 25783
239 1 4 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.993 -2.774 25783
240 1 4 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.925 -3.701 25783
241 1 4 . 1 1 5 5 MET HA H 5 4.630 4.630 4.521 0.109 25783
242 1 4 . 1 1 5 5 MET CB C 5 31.723 31.723 30.891 0.832 25783
243 1 4 . 1 1 5 5 MET H H 5 7.527 7.527 7.582 -0.055 25783
244 1 4 . 1 1 6 6 VAL HA H 6 3.842 3.842 4.058 -0.216 25783
245 1 4 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.330 -1.053 25783
246 1 4 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.982 -2.700 25783
247 1 4 . 1 1 6 6 VAL H H 6 8.442 8.442 8.494 -0.052 25783
248 1 4 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.115 -2.832 25783
249 1 4 . 1 1 7 7 GLY H H 7 8.267 8.267 8.093 0.174 25783
250 1 4 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.619 -0.533 25783
251 1 4 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.788 -1.654 25783
252 1 4 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.896 -4.938 25783
253 1 4 . 1 1 8 8 LEU H H 8 6.472 6.472 8.039 -1.567 25783
254 1 4 . 1 1 9 9 ASP HA H 9 4.670 4.670 5.056 -0.386 25783
255 1 4 . 1 1 9 9 ASP CB C 9 39.699 39.699 44.307 -4.608 25783
256 1 4 . 1 1 9 9 ASP H H 9 8.401 8.401 8.335 0.066 25783
257 1 4 . 1 1 10 10 SER HA H 10 4.254 4.254 4.440 -0.186 25783
258 1 4 . 1 1 10 10 SER CA C 10 57.056 57.056 60.089 -3.033 25783
259 1 4 . 1 1 10 10 SER CB C 10 60.570 60.570 64.204 -3.635 25783
260 1 4 . 1 1 10 10 SER H H 10 9.124 9.124 9.092 0.032 25783
261 1 4 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.248 -0.164 25783
262 1 4 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.655 -0.905 25783
263 1 4 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.345 -2.777 25783
264 1 4 . 1 1 11 11 VAL H H 11 8.901 8.901 8.323 0.578 25783
265 1 4 . 1 1 12 12 SER HA H 12 4.436 4.436 4.603 -0.167 25783
266 1 4 . 1 1 12 12 SER CA C 12 55.999 55.999 58.055 -2.056 25783
267 1 4 . 1 1 12 12 SER CB C 12 61.279 61.279 65.448 -4.169 25783
268 1 4 . 1 1 12 12 SER H H 12 7.699 7.699 8.336 -0.637 25783
269 1 4 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.757 -2.454 25783
270 1 4 . 1 1 13 13 GLY H H 13 8.537 8.537 8.567 -0.030 25783
271 1 4 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.342 -0.081 25783
272 1 4 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.338 -3.294 25783
273 1 4 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.469 -0.664 25783
274 1 4 . 1 1 14 14 GLN H H 14 8.150 8.150 8.651 -0.501 25783
275 1 4 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.112 -0.178 25783
276 1 4 . 1 1 15 15 TYR CB C 15 37.370 37.370 42.314 -4.944 25783
277 1 4 . 1 1 15 15 TYR H H 15 8.232 8.232 8.163 0.069 25783
278 1 4 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.735 -0.538 25783
279 1 4 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.446 -3.982 25783
280 1 4 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.964 -1.936 25783
281 1 4 . 1 1 16 16 TRP H H 16 8.641 8.641 9.221 -0.580 25783
282 1 4 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.833 -0.538 25783
283 1 4 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.489 -1.761 25783
284 1 4 . 1 1 17 17 ASP CB C 17 37.014 37.014 39.497 -2.483 25783
285 1 4 . 1 1 17 17 ASP H H 17 7.381 7.381 8.814 -1.433 25783
286 1 4 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.400 -0.979 25783
287 1 4 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.817 -1.274 25783
288 1 4 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.047 -4.580 25783
289 1 4 . 1 1 18 18 GLN H H 18 7.690 7.690 7.946 -0.256 25783
290 1 4 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.191 0.284 25783
291 1 4 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.888 -4.753 25783
292 1 4 . 1 1 19 19 HIS CB C 19 26.464 26.464 26.847 -0.383 25783
293 1 4 . 1 1 19 19 HIS H H 19 8.232 8.232 8.320 -0.088 25783
294 1 4 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.403 0.018 25783
295 1 4 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.047 -3.129 25783
296 1 4 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.979 -3.766 25783
297 1 4 . 1 1 20 20 ALA H H 20 8.285 8.285 8.056 0.229 25783
298 1 4 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.324 -0.033 25783
299 1 4 . 1 1 21 21 PRO CA C 21 60.368 60.368 64.344 -3.976 25783
300 1 4 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.367 -2.123 25783
301 1 4 . 1 1 22 22 LEU HA H 22 4.144 4.144 3.978 0.166 25783
302 1 4 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.791 -3.465 25783
303 1 4 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.532 -0.920 25783
304 1 4 . 1 1 22 22 LEU H H 22 8.178 8.178 8.552 -0.374 25783
305 1 4 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.676 -0.476 25783
306 1 4 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.567 -2.088 25783
307 1 4 . 1 1 23 23 ALA CB C 23 16.576 16.576 22.297 -5.721 25783
308 1 4 . 1 1 23 23 ALA H H 23 8.121 8.121 7.873 0.248 25783
309 1 5 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.580 0.175 25783
310 1 5 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.158 -4.637 25783
311 1 5 . 1 1 3 3 THR HA H 3 4.661 4.661 4.550 0.111 25783
312 1 5 . 1 1 3 3 THR CA C 3 58.119 58.119 59.258 -1.139 25783
313 1 5 . 1 1 3 3 THR CB C 3 67.067 67.067 69.355 -2.288 25783
314 1 5 . 1 1 3 3 THR H H 3 7.697 7.697 7.827 -0.130 25783
315 1 5 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.538 -0.375 25783
316 1 5 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.632 -3.413 25783
317 1 5 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.920 -3.696 25783
318 1 5 . 1 1 5 5 MET HA H 5 4.630 4.630 4.595 0.035 25783
319 1 5 . 1 1 5 5 MET CB C 5 31.723 31.723 32.444 -0.721 25783
320 1 5 . 1 1 5 5 MET H H 5 7.527 7.527 7.633 -0.106 25783
321 1 5 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.114 0.728 25783
322 1 5 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.056 -1.779 25783
323 1 5 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.830 -2.549 25783
324 1 5 . 1 1 6 6 VAL H H 6 8.442 8.442 8.389 0.053 25783
325 1 5 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.319 -2.035 25783
326 1 5 . 1 1 7 7 GLY H H 7 8.267 8.267 7.393 0.874 25783
327 1 5 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.119 -0.033 25783
328 1 5 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.883 -2.749 25783
329 1 5 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.090 -2.132 25783
330 1 5 . 1 1 8 8 LEU H H 8 6.472 6.472 8.107 -1.635 25783
331 1 5 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.551 0.119 25783
332 1 5 . 1 1 9 9 ASP CB C 9 39.699 39.699 41.987 -2.288 25783
333 1 5 . 1 1 9 9 ASP H H 9 8.401 8.401 8.619 -0.218 25783
334 1 5 . 1 1 10 10 SER HA H 10 4.254 4.254 4.430 -0.176 25783
335 1 5 . 1 1 10 10 SER CA C 10 57.056 57.056 60.627 -3.571 25783
336 1 5 . 1 1 10 10 SER CB C 10 60.570 60.570 63.846 -3.276 25783
337 1 5 . 1 1 10 10 SER H H 10 9.124 9.124 8.566 0.558 25783
338 1 5 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.196 -0.112 25783
339 1 5 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.689 -0.939 25783
340 1 5 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.469 -2.901 25783
341 1 5 . 1 1 11 11 VAL H H 11 8.901 8.901 8.039 0.862 25783
342 1 5 . 1 1 12 12 SER HA H 12 4.436 4.436 4.659 -0.223 25783
343 1 5 . 1 1 12 12 SER CA C 12 55.999 55.999 57.755 -1.756 25783
344 1 5 . 1 1 12 12 SER CB C 12 61.279 61.279 65.984 -4.705 25783
345 1 5 . 1 1 12 12 SER H H 12 7.699 7.699 7.956 -0.257 25783
346 1 5 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.594 -2.291 25783
347 1 5 . 1 1 13 13 GLY H H 13 8.537 8.537 8.216 0.321 25783
348 1 5 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.464 -0.203 25783
349 1 5 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.525 -2.481 25783
350 1 5 . 1 1 14 14 GLN CB C 14 26.805 26.805 28.930 -2.125 25783
351 1 5 . 1 1 14 14 GLN H H 14 8.150 8.150 8.641 -0.491 25783
352 1 5 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.906 0.028 25783
353 1 5 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.945 -4.575 25783
354 1 5 . 1 1 15 15 TYR H H 15 8.232 8.232 7.572 0.660 25783
355 1 5 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.773 -0.576 25783
356 1 5 . 1 1 16 16 TRP CA C 16 54.464 54.464 59.516 -5.052 25783
357 1 5 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.254 -2.226 25783
358 1 5 . 1 1 16 16 TRP H H 16 8.641 8.641 9.240 -0.599 25783
359 1 5 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.845 -0.550 25783
360 1 5 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.830 -3.102 25783
361 1 5 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.253 -6.239 25783
362 1 5 . 1 1 17 17 ASP H H 17 7.381 7.381 8.751 -1.370 25783
363 1 5 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.555 -1.134 25783
364 1 5 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.010 -1.467 25783
365 1 5 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.047 -3.580 25783
366 1 5 . 1 1 18 18 GLN H H 18 7.690 7.690 8.659 -0.969 25783
367 1 5 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.291 0.184 25783
368 1 5 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.623 -5.487 25783
369 1 5 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.677 -3.213 25783
370 1 5 . 1 1 19 19 HIS H H 19 8.232 8.232 8.709 -0.476 25783
371 1 5 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.242 0.179 25783
372 1 5 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.266 -3.348 25783
373 1 5 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.536 -3.323 25783
374 1 5 . 1 1 20 20 ALA H H 20 8.285 8.285 7.422 0.863 25783
375 1 5 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.516 -0.225 25783
376 1 5 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.793 -2.425 25783
377 1 5 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.236 -2.992 25783
378 1 5 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.676 -0.532 25783
379 1 5 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.326 -1.999 25783
380 1 5 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.298 -3.686 25783
381 1 5 . 1 1 22 22 LEU H H 22 8.178 8.178 7.683 0.495 25783
382 1 5 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.152 0.048 25783
383 1 5 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.297 -2.818 25783
384 1 5 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.475 -0.899 25783
385 1 5 . 1 1 23 23 ALA H H 23 8.121 8.121 8.271 -0.150 25783
386 1 6 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.554 0.201 25783
387 1 6 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.098 -4.577 25783
388 1 6 . 1 1 3 3 THR HA H 3 4.661 4.661 4.556 0.105 25783
389 1 6 . 1 1 3 3 THR CA C 3 58.119 58.119 59.450 -1.331 25783
390 1 6 . 1 1 3 3 THR CB C 3 67.067 67.067 69.130 -2.063 25783
391 1 6 . 1 1 3 3 THR H H 3 7.697 7.697 8.011 -0.314 25783
392 1 6 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.691 -0.528 25783
393 1 6 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.784 -2.565 25783
394 1 6 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.779 -3.555 25783
395 1 6 . 1 1 5 5 MET HA H 5 4.630 4.630 4.372 0.258 25783
396 1 6 . 1 1 5 5 MET CB C 5 31.723 31.723 32.072 -0.349 25783
397 1 6 . 1 1 5 5 MET H H 5 7.527 7.527 7.762 -0.235 25783
398 1 6 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.566 1.276 25783
399 1 6 . 1 1 6 6 VAL CA C 6 61.277 61.277 61.352 -0.075 25783
400 1 6 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.017 -2.736 25783
401 1 6 . 1 1 6 6 VAL H H 6 8.442 8.442 8.455 -0.013 25783
402 1 6 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.906 -2.623 25783
403 1 6 . 1 1 7 7 GLY H H 7 8.267 8.267 7.598 0.669 25783
404 1 6 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.597 -0.511 25783
405 1 6 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.943 -1.809 25783
406 1 6 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.908 -2.950 25783
407 1 6 . 1 1 8 8 LEU H H 8 6.472 6.472 8.012 -1.540 25783
408 1 6 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.921 -0.251 25783
409 1 6 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.524 -2.825 25783
410 1 6 . 1 1 9 9 ASP H H 9 8.401 8.401 8.502 -0.101 25783
411 1 6 . 1 1 10 10 SER HA H 10 4.254 4.254 4.642 -0.388 25783
412 1 6 . 1 1 10 10 SER CA C 10 57.056 57.056 59.995 -2.939 25783
413 1 6 . 1 1 10 10 SER CB C 10 60.570 60.570 64.953 -4.383 25783
414 1 6 . 1 1 10 10 SER H H 10 9.124 9.124 8.783 0.341 25783
415 1 6 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.182 -0.098 25783
416 1 6 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.197 -1.447 25783
417 1 6 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.226 -2.658 25783
418 1 6 . 1 1 11 11 VAL H H 11 8.901 8.901 8.033 0.868 25783
419 1 6 . 1 1 12 12 SER HA H 12 4.436 4.436 4.614 -0.178 25783
420 1 6 . 1 1 12 12 SER CA C 12 55.999 55.999 57.817 -1.818 25783
421 1 6 . 1 1 12 12 SER CB C 12 61.279 61.279 64.709 -3.430 25783
422 1 6 . 1 1 12 12 SER H H 12 7.699 7.699 7.913 -0.214 25783
423 1 6 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.089 -2.786 25783
424 1 6 . 1 1 13 13 GLY H H 13 8.537 8.537 8.432 0.105 25783
425 1 6 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.554 -0.293 25783
426 1 6 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.246 -3.202 25783
427 1 6 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.306 -4.501 25783
428 1 6 . 1 1 14 14 GLN H H 14 8.150 8.150 8.569 -0.419 25783
429 1 6 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.887 0.047 25783
430 1 6 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.708 -3.338 25783
431 1 6 . 1 1 15 15 TYR H H 15 8.232 8.232 7.632 0.600 25783
432 1 6 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.827 -0.630 25783
433 1 6 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.957 -3.493 25783
434 1 6 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.625 -1.597 25783
435 1 6 . 1 1 16 16 TRP H H 16 8.641 8.641 8.988 -0.347 25783
436 1 6 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.676 -0.381 25783
437 1 6 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.434 -2.706 25783
438 1 6 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.614 -6.600 25783
439 1 6 . 1 1 17 17 ASP H H 17 7.381 7.381 8.706 -1.325 25783
440 1 6 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.601 -1.180 25783
441 1 6 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.914 -1.371 25783
442 1 6 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.649 -3.182 25783
443 1 6 . 1 1 18 18 GLN H H 18 7.690 7.690 8.147 -0.457 25783
444 1 6 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.733 -0.258 25783
445 1 6 . 1 1 19 19 HIS CA C 19 52.135 52.135 55.388 -3.253 25783
446 1 6 . 1 1 19 19 HIS CB C 19 26.464 26.464 31.904 -5.440 25783
447 1 6 . 1 1 19 19 HIS H H 19 8.232 8.232 8.325 -0.093 25783
448 1 6 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.543 -0.122 25783
449 1 6 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.981 -3.063 25783
450 1 6 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.305 -4.092 25783
451 1 6 . 1 1 20 20 ALA H H 20 8.285 8.285 8.820 -0.535 25783
452 1 6 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.577 -0.286 25783
453 1 6 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.678 -2.310 25783
454 1 6 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.061 -0.817 25783
455 1 6 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.271 -0.127 25783
456 1 6 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.098 -2.771 25783
457 1 6 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.629 -2.017 25783
458 1 6 . 1 1 22 22 LEU H H 22 8.178 8.178 7.818 0.360 25783
459 1 6 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.069 0.131 25783
460 1 6 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.598 -3.119 25783
461 1 6 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.074 -2.498 25783
462 1 6 . 1 1 23 23 ALA H H 23 8.121 8.121 8.255 -0.134 25783
463 1 7 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.512 0.243 25783
464 1 7 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.820 -4.299 25783
465 1 7 . 1 1 3 3 THR HA H 3 4.661 4.661 4.443 0.218 25783
466 1 7 . 1 1 3 3 THR CA C 3 58.119 58.119 58.919 -0.800 25783
467 1 7 . 1 1 3 3 THR CB C 3 67.067 67.067 69.350 -2.283 25783
468 1 7 . 1 1 3 3 THR H H 3 7.697 7.697 7.632 0.065 25783
469 1 7 . 1 1 4 4 PRO HA H 4 4.163 4.163 3.867 0.296 25783
470 1 7 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.553 -2.333 25783
471 1 7 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.791 -3.567 25783
472 1 7 . 1 1 5 5 MET HA H 5 4.630 4.630 4.191 0.439 25783
473 1 7 . 1 1 5 5 MET CB C 5 31.723 31.723 31.085 0.638 25783
474 1 7 . 1 1 5 5 MET H H 5 7.527 7.527 7.388 0.139 25783
475 1 7 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.909 -0.067 25783
476 1 7 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.992 -1.715 25783
477 1 7 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.570 -2.289 25783
478 1 7 . 1 1 6 6 VAL H H 6 8.442 8.442 8.039 0.403 25783
479 1 7 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.934 -2.651 25783
480 1 7 . 1 1 7 7 GLY H H 7 8.267 8.267 8.700 -0.433 25783
481 1 7 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.147 -0.061 25783
482 1 7 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.989 -3.855 25783
483 1 7 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.752 -1.794 25783
484 1 7 . 1 1 8 8 LEU H H 8 6.472 6.472 8.171 -1.699 25783
485 1 7 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.927 -0.257 25783
486 1 7 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.260 -2.561 25783
487 1 7 . 1 1 9 9 ASP H H 9 8.401 8.401 8.012 0.389 25783
488 1 7 . 1 1 10 10 SER HA H 10 4.254 4.254 4.182 0.072 25783
489 1 7 . 1 1 10 10 SER CA C 10 57.056 57.056 61.044 -3.988 25783
490 1 7 . 1 1 10 10 SER CB C 10 60.570 60.570 63.365 -2.795 25783
491 1 7 . 1 1 10 10 SER H H 10 9.124 9.124 8.654 0.470 25783
492 1 7 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.178 -0.094 25783
493 1 7 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.382 -0.632 25783
494 1 7 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.539 -2.971 25783
495 1 7 . 1 1 11 11 VAL H H 11 8.901 8.901 8.041 0.860 25783
496 1 7 . 1 1 12 12 SER HA H 12 4.436 4.436 4.684 -0.248 25783
497 1 7 . 1 1 12 12 SER CA C 12 55.999 55.999 58.028 -2.029 25783
498 1 7 . 1 1 12 12 SER CB C 12 61.279 61.279 65.386 -4.107 25783
499 1 7 . 1 1 12 12 SER H H 12 7.699 7.699 8.076 -0.377 25783
500 1 7 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.901 -2.598 25783
501 1 7 . 1 1 13 13 GLY H H 13 8.537 8.537 8.161 0.376 25783
502 1 7 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.130 0.131 25783
503 1 7 . 1 1 14 14 GLN CA C 14 53.044 53.044 57.134 -4.090 25783
504 1 7 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.237 -2.432 25783
505 1 7 . 1 1 14 14 GLN H H 14 8.150 8.150 8.840 -0.690 25783
506 1 7 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.068 -0.134 25783
507 1 7 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.211 -3.841 25783
508 1 7 . 1 1 15 15 TYR H H 15 8.232 8.232 7.514 0.718 25783
509 1 7 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.795 -0.598 25783
510 1 7 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.959 -3.495 25783
511 1 7 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.799 -1.771 25783
512 1 7 . 1 1 16 16 TRP H H 16 8.641 8.641 9.161 -0.520 25783
513 1 7 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.868 -0.573 25783
514 1 7 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.807 -2.079 25783
515 1 7 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.181 -6.167 25783
516 1 7 . 1 1 17 17 ASP H H 17 7.381 7.381 8.497 -1.116 25783
517 1 7 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.595 -1.174 25783
518 1 7 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.924 -1.381 25783
519 1 7 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.961 -3.494 25783
520 1 7 . 1 1 18 18 GLN H H 18 7.690 7.690 8.309 -0.619 25783
521 1 7 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.269 0.206 25783
522 1 7 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.384 -4.249 25783
523 1 7 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.122 -3.658 25783
524 1 7 . 1 1 19 19 HIS H H 19 8.232 8.232 8.616 -0.384 25783
525 1 7 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.412 0.009 25783
526 1 7 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.792 -2.874 25783
527 1 7 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.388 -4.175 25783
528 1 7 . 1 1 20 20 ALA H H 20 8.285 8.285 7.985 0.300 25783
529 1 7 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.557 -0.266 25783
530 1 7 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.206 -1.838 25783
531 1 7 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.102 -2.858 25783
532 1 7 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.402 -0.258 25783
533 1 7 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.784 -3.457 25783
534 1 7 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.793 -2.181 25783
535 1 7 . 1 1 22 22 LEU H H 22 8.178 8.178 8.063 0.115 25783
536 1 7 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.389 -0.189 25783
537 1 7 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.821 -2.342 25783
538 1 7 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.456 -2.880 25783
539 1 7 . 1 1 23 23 ALA H H 23 8.121 8.121 8.211 -0.090 25783
540 1 8 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.618 0.137 25783
541 1 8 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.362 -4.841 25783
542 1 8 . 1 1 3 3 THR HA H 3 4.661 4.661 4.321 0.340 25783
543 1 8 . 1 1 3 3 THR CA C 3 58.119 58.119 60.160 -2.041 25783
544 1 8 . 1 1 3 3 THR CB C 3 67.067 67.067 69.152 -2.085 25783
545 1 8 . 1 1 3 3 THR H H 3 7.697 7.697 7.626 0.071 25783
546 1 8 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.295 -0.132 25783
547 1 8 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.966 -2.747 25783
548 1 8 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.894 -3.670 25783
549 1 8 . 1 1 5 5 MET HA H 5 4.630 4.630 4.291 0.339 25783
550 1 8 . 1 1 5 5 MET CB C 5 31.723 31.723 31.952 -0.229 25783
551 1 8 . 1 1 5 5 MET H H 5 7.527 7.527 7.434 0.093 25783
552 1 8 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.442 0.400 25783
553 1 8 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.198 -0.921 25783
554 1 8 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.381 -2.100 25783
555 1 8 . 1 1 6 6 VAL H H 6 8.442 8.442 8.302 0.140 25783
556 1 8 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.163 -2.880 25783
557 1 8 . 1 1 7 7 GLY H H 7 8.267 8.267 7.904 0.363 25783
558 1 8 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.431 -0.345 25783
559 1 8 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.833 -2.699 25783
560 1 8 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.855 -2.897 25783
561 1 8 . 1 1 8 8 LEU H H 8 6.472 6.472 8.105 -1.633 25783
562 1 8 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.683 -0.013 25783
563 1 8 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.942 -3.243 25783
564 1 8 . 1 1 9 9 ASP H H 9 8.401 8.401 8.513 -0.112 25783
565 1 8 . 1 1 10 10 SER HA H 10 4.254 4.254 4.211 0.043 25783
566 1 8 . 1 1 10 10 SER CA C 10 57.056 57.056 60.496 -3.440 25783
567 1 8 . 1 1 10 10 SER CB C 10 60.570 60.570 63.564 -2.994 25783
568 1 8 . 1 1 10 10 SER H H 10 9.124 9.124 9.114 0.010 25783
569 1 8 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.156 -0.072 25783
570 1 8 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.902 -1.152 25783
571 1 8 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.359 -2.791 25783
572 1 8 . 1 1 11 11 VAL H H 11 8.901 8.901 8.593 0.308 25783
573 1 8 . 1 1 12 12 SER HA H 12 4.436 4.436 4.544 -0.108 25783
574 1 8 . 1 1 12 12 SER CA C 12 55.999 55.999 57.708 -1.709 25783
575 1 8 . 1 1 12 12 SER CB C 12 61.279 61.279 65.381 -4.102 25783
576 1 8 . 1 1 12 12 SER H H 12 7.699 7.699 7.974 -0.275 25783
577 1 8 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.997 -2.694 25783
578 1 8 . 1 1 13 13 GLY H H 13 8.537 8.537 8.480 0.057 25783
579 1 8 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.564 -0.303 25783
580 1 8 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.445 -2.401 25783
581 1 8 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.617 -3.812 25783
582 1 8 . 1 1 14 14 GLN H H 14 8.150 8.150 8.744 -0.594 25783
583 1 8 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.069 -0.135 25783
584 1 8 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.608 -4.238 25783
585 1 8 . 1 1 15 15 TYR H H 15 8.232 8.232 7.609 0.623 25783
586 1 8 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.768 -0.571 25783
587 1 8 . 1 1 16 16 TRP CA C 16 54.464 54.464 56.916 -2.452 25783
588 1 8 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.104 -2.076 25783
589 1 8 . 1 1 16 16 TRP H H 16 8.641 8.641 9.091 -0.450 25783
590 1 8 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.791 -0.496 25783
591 1 8 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.393 -2.665 25783
592 1 8 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.338 -5.324 25783
593 1 8 . 1 1 17 17 ASP H H 17 7.381 7.381 8.764 -1.383 25783
594 1 8 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.595 -1.174 25783
595 1 8 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.081 -1.538 25783
596 1 8 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.544 -3.077 25783
597 1 8 . 1 1 18 18 GLN H H 18 7.690 7.690 8.475 -0.785 25783
598 1 8 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.248 0.227 25783
599 1 8 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.183 -5.048 25783
600 1 8 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.816 -2.352 25783
601 1 8 . 1 1 19 19 HIS H H 19 8.232 8.232 7.659 0.573 25783
602 1 8 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.349 0.072 25783
603 1 8 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.183 -3.265 25783
604 1 8 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.910 -3.697 25783
605 1 8 . 1 1 20 20 ALA H H 20 8.285 8.285 8.422 -0.137 25783
606 1 8 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.483 -0.192 25783
607 1 8 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.476 -2.108 25783
608 1 8 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.311 -3.067 25783
609 1 8 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.251 -0.107 25783
610 1 8 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.309 -2.982 25783
611 1 8 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.566 -1.954 25783
612 1 8 . 1 1 22 22 LEU H H 22 8.178 8.178 7.865 0.313 25783
613 1 8 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.574 -0.374 25783
614 1 8 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.904 -2.425 25783
615 1 8 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.562 -1.986 25783
616 1 8 . 1 1 23 23 ALA H H 23 8.121 8.121 8.732 -0.611 25783
617 1 9 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.472 0.283 25783
618 1 9 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.002 -4.481 25783
619 1 9 . 1 1 3 3 THR HA H 3 4.661 4.661 4.488 0.173 25783
620 1 9 . 1 1 3 3 THR CA C 3 58.119 58.119 59.194 -1.075 25783
621 1 9 . 1 1 3 3 THR CB C 3 67.067 67.067 69.618 -2.551 25783
622 1 9 . 1 1 3 3 THR H H 3 7.697 7.697 7.996 -0.299 25783
623 1 9 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.150 0.013 25783
624 1 9 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.892 -2.673 25783
625 1 9 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.893 -3.669 25783
626 1 9 . 1 1 5 5 MET HA H 5 4.630 4.630 4.550 0.080 25783
627 1 9 . 1 1 5 5 MET CB C 5 31.723 31.723 32.836 -1.113 25783
628 1 9 . 1 1 5 5 MET H H 5 7.527 7.527 7.647 -0.120 25783
629 1 9 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.840 0.002 25783
630 1 9 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.017 -1.740 25783
631 1 9 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.994 -1.713 25783
632 1 9 . 1 1 6 6 VAL H H 6 8.442 8.442 8.747 -0.305 25783
633 1 9 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.829 -2.546 25783
634 1 9 . 1 1 7 7 GLY H H 7 8.267 8.267 7.689 0.578 25783
635 1 9 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.424 -0.338 25783
636 1 9 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.562 -2.428 25783
637 1 9 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.032 -3.074 25783
638 1 9 . 1 1 8 8 LEU H H 8 6.472 6.472 7.848 -1.376 25783
639 1 9 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.651 0.019 25783
640 1 9 . 1 1 9 9 ASP CB C 9 39.699 39.699 41.868 -2.169 25783
641 1 9 . 1 1 9 9 ASP H H 9 8.401 8.401 8.324 0.077 25783
642 1 9 . 1 1 10 10 SER HA H 10 4.254 4.254 4.252 0.002 25783
643 1 9 . 1 1 10 10 SER CA C 10 57.056 57.056 60.877 -3.821 25783
644 1 9 . 1 1 10 10 SER CB C 10 60.570 60.570 63.613 -3.043 25783
645 1 9 . 1 1 10 10 SER H H 10 9.124 9.124 8.764 0.360 25783
646 1 9 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.170 -0.086 25783
647 1 9 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.484 -0.734 25783
648 1 9 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.451 -2.883 25783
649 1 9 . 1 1 11 11 VAL H H 11 8.901 8.901 7.718 1.183 25783
650 1 9 . 1 1 12 12 SER HA H 12 4.436 4.436 4.644 -0.208 25783
651 1 9 . 1 1 12 12 SER CA C 12 55.999 55.999 58.244 -2.245 25783
652 1 9 . 1 1 12 12 SER CB C 12 61.279 61.279 65.255 -3.976 25783
653 1 9 . 1 1 12 12 SER H H 12 7.699 7.699 8.208 -0.509 25783
654 1 9 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.941 -2.638 25783
655 1 9 . 1 1 13 13 GLY H H 13 8.537 8.537 8.417 0.120 25783
656 1 9 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.596 -0.335 25783
657 1 9 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.834 -2.790 25783
658 1 9 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.555 -3.750 25783
659 1 9 . 1 1 14 14 GLN H H 14 8.150 8.150 8.822 -0.672 25783
660 1 9 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.094 -0.160 25783
661 1 9 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.715 -4.345 25783
662 1 9 . 1 1 15 15 TYR H H 15 8.232 8.232 7.437 0.795 25783
663 1 9 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.991 -0.794 25783
664 1 9 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.069 -3.605 25783
665 1 9 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.276 -2.248 25783
666 1 9 . 1 1 16 16 TRP H H 16 8.641 8.641 9.020 -0.379 25783
667 1 9 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.760 -0.465 25783
668 1 9 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.389 -2.661 25783
669 1 9 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.602 -6.588 25783
670 1 9 . 1 1 17 17 ASP H H 17 7.381 7.381 8.765 -1.384 25783
671 1 9 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.671 -1.250 25783
672 1 9 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.931 -1.388 25783
673 1 9 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.095 -3.628 25783
674 1 9 . 1 1 18 18 GLN H H 18 7.690 7.690 8.435 -0.745 25783
675 1 9 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.636 -0.161 25783
676 1 9 . 1 1 19 19 HIS CA C 19 52.135 52.135 54.963 -2.828 25783
677 1 9 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.043 -3.579 25783
678 1 9 . 1 1 19 19 HIS H H 19 8.232 8.232 8.422 -0.190 25783
679 1 9 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.517 -0.096 25783
680 1 9 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.798 -2.881 25783
681 1 9 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.594 -4.381 25783
682 1 9 . 1 1 20 20 ALA H H 20 8.285 8.285 8.474 -0.189 25783
683 1 9 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.566 -0.275 25783
684 1 9 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.320 -1.952 25783
685 1 9 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.414 -3.170 25783
686 1 9 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.413 -0.269 25783
687 1 9 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.949 -2.622 25783
688 1 9 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.383 -0.771 25783
689 1 9 . 1 1 22 22 LEU H H 22 8.178 8.178 8.415 -0.237 25783
690 1 9 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.135 0.065 25783
691 1 9 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.822 -3.343 25783
692 1 9 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.960 -2.384 25783
693 1 9 . 1 1 23 23 ALA H H 23 8.121 8.121 7.761 0.360 25783
694 1 10 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.642 0.113 25783
695 1 10 . 1 1 2 2 PRO CB C 2 27.521 27.521 29.890 -2.369 25783
696 1 10 . 1 1 3 3 THR HA H 3 4.661 4.661 4.724 -0.063 25783
697 1 10 . 1 1 3 3 THR CA C 3 58.119 58.119 57.846 0.273 25783
698 1 10 . 1 1 3 3 THR CB C 3 67.067 67.067 70.437 -3.370 25783
699 1 10 . 1 1 3 3 THR H H 3 7.697 7.697 7.543 0.154 25783
700 1 10 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.242 -0.079 25783
701 1 10 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.540 -3.321 25783
702 1 10 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.156 -3.932 25783
703 1 10 . 1 1 5 5 MET HA H 5 4.630 4.630 4.156 0.474 25783
704 1 10 . 1 1 5 5 MET CB C 5 31.723 31.723 31.166 0.557 25783
705 1 10 . 1 1 5 5 MET H H 5 7.527 7.527 7.452 0.075 25783
706 1 10 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.997 -0.155 25783
707 1 10 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.928 -1.651 25783
708 1 10 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.974 -2.693 25783
709 1 10 . 1 1 6 6 VAL H H 6 8.442 8.442 8.251 0.191 25783
710 1 10 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.479 -2.196 25783
711 1 10 . 1 1 7 7 GLY H H 7 8.267 8.267 7.806 0.461 25783
712 1 10 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.336 -0.250 25783
713 1 10 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.194 -3.061 25783
714 1 10 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.603 -2.645 25783
715 1 10 . 1 1 8 8 LEU H H 8 6.472 6.472 8.355 -1.883 25783
716 1 10 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.909 -0.239 25783
717 1 10 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.157 -3.458 25783
718 1 10 . 1 1 9 9 ASP H H 9 8.401 8.401 8.474 -0.073 25783
719 1 10 . 1 1 10 10 SER HA H 10 4.254 4.254 4.295 -0.041 25783
720 1 10 . 1 1 10 10 SER CA C 10 57.056 57.056 60.025 -2.969 25783
721 1 10 . 1 1 10 10 SER CB C 10 60.570 60.570 63.763 -3.193 25783
722 1 10 . 1 1 10 10 SER H H 10 9.124 9.124 8.726 0.398 25783
723 1 10 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.127 -0.043 25783
724 1 10 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.823 -1.073 25783
725 1 10 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.791 -3.223 25783
726 1 10 . 1 1 11 11 VAL H H 11 8.901 8.901 8.520 0.381 25783
727 1 10 . 1 1 12 12 SER HA H 12 4.436 4.436 4.495 -0.059 25783
728 1 10 . 1 1 12 12 SER CA C 12 55.999 55.999 58.023 -2.023 25783
729 1 10 . 1 1 12 12 SER CB C 12 61.279 61.279 64.449 -3.170 25783
730 1 10 . 1 1 12 12 SER H H 12 7.699 7.699 8.185 -0.486 25783
731 1 10 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.302 -2.999 25783
732 1 10 . 1 1 13 13 GLY H H 13 8.537 8.537 8.459 0.078 25783
733 1 10 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.449 -0.188 25783
734 1 10 . 1 1 14 14 GLN CA C 14 53.044 53.044 54.883 -1.839 25783
735 1 10 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.777 -4.972 25783
736 1 10 . 1 1 14 14 GLN H H 14 8.150 8.150 8.149 0.001 25783
737 1 10 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.244 0.690 25783
738 1 10 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.452 -0.082 25783
739 1 10 . 1 1 15 15 TYR H H 15 8.232 8.232 8.539 -0.307 25783
740 1 10 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.812 -0.615 25783
741 1 10 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.094 -2.630 25783
742 1 10 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.638 -1.610 25783
743 1 10 . 1 1 16 16 TRP H H 16 8.641 8.641 8.730 -0.089 25783
744 1 10 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.751 -0.456 25783
745 1 10 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.331 -2.603 25783
746 1 10 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.455 -5.441 25783
747 1 10 . 1 1 17 17 ASP H H 17 7.381 7.381 8.523 -1.142 25783
748 1 10 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.489 -1.068 25783
749 1 10 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.271 -1.728 25783
750 1 10 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.246 -3.779 25783
751 1 10 . 1 1 18 18 GLN H H 18 7.690 7.690 8.750 -1.060 25783
752 1 10 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.625 -0.150 25783
753 1 10 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.202 -5.066 25783
754 1 10 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.944 -4.480 25783
755 1 10 . 1 1 19 19 HIS H H 19 8.232 8.232 8.173 0.059 25783
756 1 10 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.818 -0.397 25783
757 1 10 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.634 -2.716 25783
758 1 10 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.826 -4.613 25783
759 1 10 . 1 1 20 20 ALA H H 20 8.285 8.285 8.714 -0.429 25783
760 1 10 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.645 -0.354 25783
761 1 10 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.752 -2.384 25783
762 1 10 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.469 -3.225 25783
763 1 10 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.447 -0.303 25783
764 1 10 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.191 -2.864 25783
765 1 10 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.351 -1.739 25783
766 1 10 . 1 1 22 22 LEU H H 22 8.178 8.178 8.483 -0.305 25783
767 1 10 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.418 -0.218 25783
768 1 10 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.212 -2.733 25783
769 1 10 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.930 -3.354 25783
770 1 10 . 1 1 23 23 ALA H H 23 8.121 8.121 8.810 -0.689 25783
771 1 11 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.599 0.156 25783
772 1 11 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.676 -4.155 25783
773 1 11 . 1 1 3 3 THR HA H 3 4.661 4.661 4.632 0.029 25783
774 1 11 . 1 1 3 3 THR CA C 3 58.119 58.119 59.376 -1.257 25783
775 1 11 . 1 1 3 3 THR CB C 3 67.067 67.067 69.084 -2.017 25783
776 1 11 . 1 1 3 3 THR H H 3 7.697 7.697 7.799 -0.102 25783
777 1 11 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.590 -0.427 25783
778 1 11 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.200 -2.982 25783
779 1 11 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.120 -3.896 25783
780 1 11 . 1 1 5 5 MET HA H 5 4.630 4.630 4.584 0.046 25783
781 1 11 . 1 1 5 5 MET CB C 5 31.723 31.723 32.917 -1.194 25783
782 1 11 . 1 1 5 5 MET H H 5 7.527 7.527 7.630 -0.103 25783
783 1 11 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.139 0.703 25783
784 1 11 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.478 -2.201 25783
785 1 11 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.245 -1.964 25783
786 1 11 . 1 1 6 6 VAL H H 6 8.442 8.442 8.655 -0.213 25783
787 1 11 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.457 -2.174 25783
788 1 11 . 1 1 7 7 GLY H H 7 8.267 8.267 8.026 0.241 25783
789 1 11 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.241 -0.155 25783
790 1 11 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.003 -2.869 25783
791 1 11 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.405 -2.447 25783
792 1 11 . 1 1 8 8 LEU H H 8 6.472 6.472 8.056 -1.584 25783
793 1 11 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.974 -0.304 25783
794 1 11 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.959 -4.260 25783
795 1 11 . 1 1 9 9 ASP H H 9 8.401 8.401 8.242 0.159 25783
796 1 11 . 1 1 10 10 SER HA H 10 4.254 4.254 4.363 -0.109 25783
797 1 11 . 1 1 10 10 SER CA C 10 57.056 57.056 60.337 -3.281 25783
798 1 11 . 1 1 10 10 SER CB C 10 60.570 60.570 63.581 -3.010 25783
799 1 11 . 1 1 10 10 SER H H 10 9.124 9.124 9.365 -0.241 25783
800 1 11 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.259 -0.175 25783
801 1 11 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.926 -1.176 25783
802 1 11 . 1 1 11 11 VAL CB C 11 30.568 30.568 34.454 -3.886 25783
803 1 11 . 1 1 11 11 VAL H H 11 8.901 8.901 8.508 0.393 25783
804 1 11 . 1 1 12 12 SER HA H 12 4.436 4.436 4.619 -0.183 25783
805 1 11 . 1 1 12 12 SER CA C 12 55.999 55.999 57.280 -1.281 25783
806 1 11 . 1 1 12 12 SER CB C 12 61.279 61.279 65.106 -3.827 25783
807 1 11 . 1 1 12 12 SER H H 12 7.699 7.699 8.321 -0.622 25783
808 1 11 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.728 -3.425 25783
809 1 11 . 1 1 13 13 GLY H H 13 8.537 8.537 8.608 -0.071 25783
810 1 11 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.465 -0.204 25783
811 1 11 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.433 -2.389 25783
812 1 11 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.328 -3.523 25783
813 1 11 . 1 1 14 14 GLN H H 14 8.150 8.150 8.642 -0.492 25783
814 1 11 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.794 0.140 25783
815 1 11 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.762 -3.392 25783
816 1 11 . 1 1 15 15 TYR H H 15 8.232 8.232 7.588 0.644 25783
817 1 11 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.950 -0.753 25783
818 1 11 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.302 -3.838 25783
819 1 11 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.986 -1.958 25783
820 1 11 . 1 1 16 16 TRP H H 16 8.641 8.641 9.309 -0.668 25783
821 1 11 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.889 -0.594 25783
822 1 11 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.786 -2.058 25783
823 1 11 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.492 -5.479 25783
824 1 11 . 1 1 17 17 ASP H H 17 7.381 7.381 8.585 -1.204 25783
825 1 11 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.578 -1.157 25783
826 1 11 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.397 -1.854 25783
827 1 11 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.490 -2.023 25783
828 1 11 . 1 1 18 18 GLN H H 18 7.690 7.690 8.660 -0.970 25783
829 1 11 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.611 -0.136 25783
830 1 11 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.302 -4.167 25783
831 1 11 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.935 -2.471 25783
832 1 11 . 1 1 19 19 HIS H H 19 8.232 8.232 9.074 -0.842 25783
833 1 11 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.633 -0.212 25783
834 1 11 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.552 -2.634 25783
835 1 11 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.998 -4.785 25783
836 1 11 . 1 1 20 20 ALA H H 20 8.285 8.285 7.582 0.703 25783
837 1 11 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.624 -0.333 25783
838 1 11 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.898 -2.530 25783
839 1 11 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.275 -3.031 25783
840 1 11 . 1 1 22 22 LEU HA H 22 4.144 4.144 5.242 -1.098 25783
841 1 11 . 1 1 22 22 LEU CA C 22 52.327 52.327 53.572 -1.245 25783
842 1 11 . 1 1 22 22 LEU CB C 22 39.612 39.612 44.616 -5.004 25783
843 1 11 . 1 1 22 22 LEU H H 22 8.178 8.178 8.539 -0.361 25783
844 1 11 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.793 -0.593 25783
845 1 11 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.748 -2.269 25783
846 1 11 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.401 -2.825 25783
847 1 11 . 1 1 23 23 ALA H H 23 8.121 8.121 8.819 -0.698 25783
848 1 12 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.587 0.168 25783
849 1 12 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.366 -4.845 25783
850 1 12 . 1 1 3 3 THR HA H 3 4.661 4.661 4.608 0.053 25783
851 1 12 . 1 1 3 3 THR CA C 3 58.119 58.119 59.440 -1.321 25783
852 1 12 . 1 1 3 3 THR CB C 3 67.067 67.067 69.905 -2.838 25783
853 1 12 . 1 1 3 3 THR H H 3 7.697 7.697 7.792 -0.095 25783
854 1 12 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.816 -0.653 25783
855 1 12 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.240 -3.021 25783
856 1 12 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.216 -3.992 25783
857 1 12 . 1 1 5 5 MET HA H 5 4.630 4.630 4.192 0.438 25783
858 1 12 . 1 1 5 5 MET CB C 5 31.723 31.723 31.598 0.125 25783
859 1 12 . 1 1 5 5 MET H H 5 7.527 7.527 7.424 0.103 25783
860 1 12 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.471 0.371 25783
861 1 12 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.634 -2.357 25783
862 1 12 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.860 -1.579 25783
863 1 12 . 1 1 6 6 VAL H H 6 8.442 8.442 8.377 0.065 25783
864 1 12 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.411 -3.128 25783
865 1 12 . 1 1 7 7 GLY H H 7 8.267 8.267 8.355 -0.088 25783
866 1 12 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.808 -0.722 25783
867 1 12 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.829 -1.695 25783
868 1 12 . 1 1 8 8 LEU CB C 8 39.958 39.958 45.043 -5.085 25783
869 1 12 . 1 1 8 8 LEU H H 8 6.472 6.472 7.690 -1.218 25783
870 1 12 . 1 1 9 9 ASP HA H 9 4.670 4.670 5.192 -0.522 25783
871 1 12 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.216 -3.517 25783
872 1 12 . 1 1 9 9 ASP H H 9 8.401 8.401 8.439 -0.038 25783
873 1 12 . 1 1 10 10 SER HA H 10 4.254 4.254 4.374 -0.120 25783
874 1 12 . 1 1 10 10 SER CA C 10 57.056 57.056 60.384 -3.328 25783
875 1 12 . 1 1 10 10 SER CB C 10 60.570 60.570 63.734 -3.164 25783
876 1 12 . 1 1 10 10 SER H H 10 9.124 9.124 8.933 0.191 25783
877 1 12 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.199 -0.115 25783
878 1 12 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.855 -1.105 25783
879 1 12 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.785 -3.216 25783
880 1 12 . 1 1 11 11 VAL H H 11 8.901 8.901 8.330 0.571 25783
881 1 12 . 1 1 12 12 SER HA H 12 4.436 4.436 4.518 -0.082 25783
882 1 12 . 1 1 12 12 SER CA C 12 55.999 55.999 57.973 -1.974 25783
883 1 12 . 1 1 12 12 SER CB C 12 61.279 61.279 66.916 -5.637 25783
884 1 12 . 1 1 12 12 SER H H 12 7.699 7.699 8.780 -1.081 25783
885 1 12 . 1 1 13 13 GLY CA C 13 42.303 42.303 46.334 -4.030 25783
886 1 12 . 1 1 13 13 GLY H H 13 8.537 8.537 8.701 -0.164 25783
887 1 12 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.491 -0.230 25783
888 1 12 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.831 -2.787 25783
889 1 12 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.291 -3.486 25783
890 1 12 . 1 1 14 14 GLN H H 14 8.150 8.150 8.390 -0.240 25783
891 1 12 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.606 0.328 25783
892 1 12 . 1 1 15 15 TYR CB C 15 37.370 37.370 39.079 -1.709 25783
893 1 12 . 1 1 15 15 TYR H H 15 8.232 8.232 7.586 0.646 25783
894 1 12 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.764 -0.567 25783
895 1 12 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.671 -4.207 25783
896 1 12 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.811 -1.783 25783
897 1 12 . 1 1 16 16 TRP H H 16 8.641 8.641 8.883 -0.242 25783
898 1 12 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.553 -0.258 25783
899 1 12 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.898 -3.170 25783
900 1 12 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.051 -5.037 25783
901 1 12 . 1 1 17 17 ASP H H 17 7.381 7.381 8.334 -0.953 25783
902 1 12 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.232 -0.811 25783
903 1 12 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.864 -3.321 25783
904 1 12 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.518 -2.051 25783
905 1 12 . 1 1 18 18 GLN H H 18 7.690 7.690 8.077 -0.387 25783
906 1 12 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.522 -0.047 25783
907 1 12 . 1 1 19 19 HIS CA C 19 52.135 52.135 54.717 -2.582 25783
908 1 12 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.659 -3.195 25783
909 1 12 . 1 1 19 19 HIS H H 19 8.232 8.232 7.415 0.817 25783
910 1 12 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.321 0.100 25783
911 1 12 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.123 -3.205 25783
912 1 12 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.044 -3.831 25783
913 1 12 . 1 1 20 20 ALA H H 20 8.285 8.285 8.585 -0.300 25783
914 1 12 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.517 -0.226 25783
915 1 12 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.661 -2.293 25783
916 1 12 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.526 -1.282 25783
917 1 12 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.448 -0.304 25783
918 1 12 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.034 -2.707 25783
919 1 12 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.425 -2.813 25783
920 1 12 . 1 1 22 22 LEU H H 22 8.178 8.178 8.080 0.098 25783
921 1 12 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.511 -0.311 25783
922 1 12 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.951 -2.472 25783
923 1 12 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.864 -2.288 25783
924 1 12 . 1 1 23 23 ALA H H 23 8.121 8.121 8.774 -0.653 25783
925 1 13 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.655 0.100 25783
926 1 13 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.810 -4.289 25783
927 1 13 . 1 1 3 3 THR HA H 3 4.661 4.661 4.468 0.193 25783
928 1 13 . 1 1 3 3 THR CA C 3 58.119 58.119 59.168 -1.049 25783
929 1 13 . 1 1 3 3 THR CB C 3 67.067 67.067 69.118 -2.051 25783
930 1 13 . 1 1 3 3 THR H H 3 7.697 7.697 7.746 -0.049 25783
931 1 13 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.037 0.127 25783
932 1 13 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.875 -2.656 25783
933 1 13 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.166 -3.942 25783
934 1 13 . 1 1 5 5 MET HA H 5 4.630 4.630 4.353 0.277 25783
935 1 13 . 1 1 5 5 MET CB C 5 31.723 31.723 32.519 -0.796 25783
936 1 13 . 1 1 5 5 MET H H 5 7.527 7.527 7.441 0.086 25783
937 1 13 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.992 -0.150 25783
938 1 13 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.354 -2.077 25783
939 1 13 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.471 -2.190 25783
940 1 13 . 1 1 6 6 VAL H H 6 8.442 8.442 8.765 -0.323 25783
941 1 13 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.899 -2.616 25783
942 1 13 . 1 1 7 7 GLY H H 7 8.267 8.267 7.712 0.555 25783
943 1 13 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.476 -0.390 25783
944 1 13 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.356 -2.223 25783
945 1 13 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.813 -2.855 25783
946 1 13 . 1 1 8 8 LEU H H 8 6.472 6.472 8.051 -1.579 25783
947 1 13 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.720 -0.050 25783
948 1 13 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.759 -4.060 25783
949 1 13 . 1 1 9 9 ASP H H 9 8.401 8.401 8.455 -0.054 25783
950 1 13 . 1 1 10 10 SER HA H 10 4.254 4.254 4.294 -0.040 25783
951 1 13 . 1 1 10 10 SER CA C 10 57.056 57.056 60.126 -3.070 25783
952 1 13 . 1 1 10 10 SER CB C 10 60.570 60.570 63.439 -2.869 25783
953 1 13 . 1 1 10 10 SER H H 10 9.124 9.124 8.658 0.466 25783
954 1 13 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.198 -0.114 25783
955 1 13 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.668 -0.918 25783
956 1 13 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.742 -3.174 25783
957 1 13 . 1 1 11 11 VAL H H 11 8.901 8.901 8.333 0.568 25783
958 1 13 . 1 1 12 12 SER HA H 12 4.436 4.436 4.568 -0.132 25783
959 1 13 . 1 1 12 12 SER CA C 12 55.999 55.999 57.713 -1.714 25783
960 1 13 . 1 1 12 12 SER CB C 12 61.279 61.279 64.966 -3.687 25783
961 1 13 . 1 1 12 12 SER H H 12 7.699 7.699 7.981 -0.282 25783
962 1 13 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.164 -2.861 25783
963 1 13 . 1 1 13 13 GLY H H 13 8.537 8.537 8.557 -0.020 25783
964 1 13 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.370 -0.109 25783
965 1 13 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.212 -2.168 25783
966 1 13 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.980 -3.175 25783
967 1 13 . 1 1 14 14 GLN H H 14 8.150 8.150 8.508 -0.358 25783
968 1 13 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.846 0.088 25783
969 1 13 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.900 -3.530 25783
970 1 13 . 1 1 15 15 TYR H H 15 8.232 8.232 7.457 0.775 25783
971 1 13 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.926 -0.729 25783
972 1 13 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.577 -4.113 25783
973 1 13 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.175 -2.147 25783
974 1 13 . 1 1 16 16 TRP H H 16 8.641 8.641 9.046 -0.405 25783
975 1 13 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.878 -0.583 25783
976 1 13 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.504 -1.776 25783
977 1 13 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.244 -6.230 25783
978 1 13 . 1 1 17 17 ASP H H 17 7.381 7.381 8.632 -1.251 25783
979 1 13 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.365 -0.944 25783
980 1 13 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.774 -3.231 25783
981 1 13 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.941 -2.474 25783
982 1 13 . 1 1 18 18 GLN H H 18 7.690 7.690 8.584 -0.894 25783
983 1 13 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.490 -0.015 25783
984 1 13 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.300 -4.165 25783
985 1 13 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.741 -4.277 25783
986 1 13 . 1 1 19 19 HIS H H 19 8.232 8.232 7.716 0.516 25783
987 1 13 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.800 -0.379 25783
988 1 13 . 1 1 20 20 ALA CA C 20 47.918 47.918 48.342 -0.424 25783
989 1 13 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.280 -4.067 25783
990 1 13 . 1 1 20 20 ALA H H 20 8.285 8.285 7.443 0.842 25783
991 1 13 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.609 -0.318 25783
992 1 13 . 1 1 21 21 PRO CA C 21 60.368 60.368 63.723 -3.355 25783
993 1 13 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.060 -2.816 25783
994 1 13 . 1 1 22 22 LEU HA H 22 4.144 4.144 3.906 0.238 25783
995 1 13 . 1 1 22 22 LEU CA C 22 52.327 52.327 56.799 -4.472 25783
996 1 13 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.989 -1.377 25783
997 1 13 . 1 1 22 22 LEU H H 22 8.178 8.178 8.726 -0.548 25783
998 1 13 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.492 -0.292 25783
999 1 13 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.505 -2.026 25783
1000 1 13 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.411 -4.835 25783
1001 1 13 . 1 1 23 23 ALA H H 23 8.121 8.121 7.734 0.387 25783
1002 1 14 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.494 0.261 25783
1003 1 14 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.668 -4.146 25783
1004 1 14 . 1 1 3 3 THR HA H 3 4.661 4.661 4.516 0.145 25783
1005 1 14 . 1 1 3 3 THR CA C 3 58.119 58.119 59.263 -1.144 25783
1006 1 14 . 1 1 3 3 THR CB C 3 67.067 67.067 69.233 -2.166 25783
1007 1 14 . 1 1 3 3 THR H H 3 7.697 7.697 7.672 0.025 25783
1008 1 14 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.596 -0.433 25783
1009 1 14 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.656 -3.437 25783
1010 1 14 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.291 -4.067 25783
1011 1 14 . 1 1 5 5 MET HA H 5 4.630 4.630 4.500 0.130 25783
1012 1 14 . 1 1 5 5 MET CB C 5 31.723 31.723 32.695 -0.972 25783
1013 1 14 . 1 1 5 5 MET H H 5 7.527 7.527 7.450 0.077 25783
1014 1 14 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.996 0.846 25783
1015 1 14 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.314 -2.037 25783
1016 1 14 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.218 -1.937 25783
1017 1 14 . 1 1 6 6 VAL H H 6 8.442 8.442 8.593 -0.151 25783
1018 1 14 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.470 -2.187 25783
1019 1 14 . 1 1 7 7 GLY H H 7 8.267 8.267 7.970 0.297 25783
1020 1 14 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.185 -0.099 25783
1021 1 14 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.541 -2.408 25783
1022 1 14 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.708 -1.750 25783
1023 1 14 . 1 1 8 8 LEU H H 8 6.472 6.472 8.185 -1.713 25783
1024 1 14 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.575 0.095 25783
1025 1 14 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.657 -2.958 25783
1026 1 14 . 1 1 9 9 ASP H H 9 8.401 8.401 8.569 -0.168 25783
1027 1 14 . 1 1 10 10 SER HA H 10 4.254 4.254 4.453 -0.199 25783
1028 1 14 . 1 1 10 10 SER CA C 10 57.056 57.056 60.568 -3.512 25783
1029 1 14 . 1 1 10 10 SER CB C 10 60.570 60.570 63.683 -3.113 25783
1030 1 14 . 1 1 10 10 SER H H 10 9.124 9.124 8.595 0.529 25783
1031 1 14 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.184 -0.100 25783
1032 1 14 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.819 -1.069 25783
1033 1 14 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.644 -3.075 25783
1034 1 14 . 1 1 11 11 VAL H H 11 8.901 8.901 8.496 0.405 25783
1035 1 14 . 1 1 12 12 SER HA H 12 4.436 4.436 4.625 -0.189 25783
1036 1 14 . 1 1 12 12 SER CA C 12 55.999 55.999 57.525 -1.526 25783
1037 1 14 . 1 1 12 12 SER CB C 12 61.279 61.279 65.805 -4.526 25783
1038 1 14 . 1 1 12 12 SER H H 12 7.699 7.699 8.020 -0.321 25783
1039 1 14 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.109 -2.806 25783
1040 1 14 . 1 1 13 13 GLY H H 13 8.537 8.537 8.547 -0.010 25783
1041 1 14 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.574 -0.314 25783
1042 1 14 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.101 -2.057 25783
1043 1 14 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.454 -2.650 25783
1044 1 14 . 1 1 14 14 GLN H H 14 8.150 8.150 8.750 -0.600 25783
1045 1 14 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.250 -0.316 25783
1046 1 14 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.943 -4.573 25783
1047 1 14 . 1 1 15 15 TYR H H 15 8.232 8.232 7.674 0.558 25783
1048 1 14 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.809 -0.612 25783
1049 1 14 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.235 -3.771 25783
1050 1 14 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.181 -2.153 25783
1051 1 14 . 1 1 16 16 TRP H H 16 8.641 8.641 9.099 -0.458 25783
1052 1 14 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.896 -0.601 25783
1053 1 14 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.432 -1.704 25783
1054 1 14 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.268 -6.254 25783
1055 1 14 . 1 1 17 17 ASP H H 17 7.381 7.381 8.623 -1.242 25783
1056 1 14 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.313 -0.892 25783
1057 1 14 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.465 -2.922 25783
1058 1 14 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.106 -2.639 25783
1059 1 14 . 1 1 18 18 GLN H H 18 7.690 7.690 8.536 -0.846 25783
1060 1 14 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.490 -0.015 25783
1061 1 14 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.044 -3.909 25783
1062 1 14 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.548 -4.084 25783
1063 1 14 . 1 1 19 19 HIS H H 19 8.232 8.232 7.911 0.321 25783
1064 1 14 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.539 -0.118 25783
1065 1 14 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.016 -2.098 25783
1066 1 14 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.964 -3.751 25783
1067 1 14 . 1 1 20 20 ALA H H 20 8.285 8.285 8.103 0.182 25783
1068 1 14 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.260 0.031 25783
1069 1 14 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.667 -2.300 25783
1070 1 14 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.319 -3.075 25783
1071 1 14 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.606 -0.462 25783
1072 1 14 . 1 1 22 22 LEU CA C 22 52.327 52.327 53.666 -1.339 25783
1073 1 14 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.333 -2.721 25783
1074 1 14 . 1 1 22 22 LEU H H 22 8.178 8.178 7.953 0.225 25783
1075 1 14 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.091 0.109 25783
1076 1 14 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.873 -3.394 25783
1077 1 14 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.910 -1.334 25783
1078 1 14 . 1 1 23 23 ALA H H 23 8.121 8.121 8.259 -0.138 25783
1079 1 15 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.491 0.264 25783
1080 1 15 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.489 -3.968 25783
1081 1 15 . 1 1 3 3 THR HA H 3 4.661 4.661 4.597 0.064 25783
1082 1 15 . 1 1 3 3 THR CA C 3 58.119 58.119 58.584 -0.465 25783
1083 1 15 . 1 1 3 3 THR CB C 3 67.067 67.067 69.475 -2.408 25783
1084 1 15 . 1 1 3 3 THR H H 3 7.697 7.697 7.642 0.055 25783
1085 1 15 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.153 0.010 25783
1086 1 15 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.428 -3.209 25783
1087 1 15 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.217 -3.993 25783
1088 1 15 . 1 1 5 5 MET HA H 5 4.630 4.630 4.432 0.198 25783
1089 1 15 . 1 1 5 5 MET CB C 5 31.723 31.723 32.040 -0.317 25783
1090 1 15 . 1 1 5 5 MET H H 5 7.527 7.527 7.473 0.054 25783
1091 1 15 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.865 -0.023 25783
1092 1 15 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.491 -2.214 25783
1093 1 15 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.195 -2.914 25783
1094 1 15 . 1 1 6 6 VAL H H 6 8.442 8.442 8.403 0.039 25783
1095 1 15 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.423 -2.140 25783
1096 1 15 . 1 1 7 7 GLY H H 7 8.267 8.267 8.074 0.193 25783
1097 1 15 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.517 -0.431 25783
1098 1 15 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.025 -2.891 25783
1099 1 15 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.636 -2.678 25783
1100 1 15 . 1 1 8 8 LEU H H 8 6.472 6.472 8.150 -1.678 25783
1101 1 15 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.756 -0.086 25783
1102 1 15 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.649 -3.950 25783
1103 1 15 . 1 1 9 9 ASP H H 9 8.401 8.401 8.356 0.045 25783
1104 1 15 . 1 1 10 10 SER HA H 10 4.254 4.254 4.260 -0.006 25783
1105 1 15 . 1 1 10 10 SER CA C 10 57.056 57.056 60.268 -3.212 25783
1106 1 15 . 1 1 10 10 SER CB C 10 60.570 60.570 63.497 -2.927 25783
1107 1 15 . 1 1 10 10 SER H H 10 9.124 9.124 9.073 0.051 25783
1108 1 15 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.246 -0.162 25783
1109 1 15 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.943 -1.193 25783
1110 1 15 . 1 1 11 11 VAL CB C 11 30.568 30.568 32.963 -2.395 25783
1111 1 15 . 1 1 11 11 VAL H H 11 8.901 8.901 8.313 0.588 25783
1112 1 15 . 1 1 12 12 SER HA H 12 4.436 4.436 4.486 -0.050 25783
1113 1 15 . 1 1 12 12 SER CA C 12 55.999 55.999 57.717 -1.718 25783
1114 1 15 . 1 1 12 12 SER CB C 12 61.279 61.279 65.045 -3.766 25783
1115 1 15 . 1 1 12 12 SER H H 12 7.699 7.699 7.802 -0.103 25783
1116 1 15 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.262 -2.959 25783
1117 1 15 . 1 1 13 13 GLY H H 13 8.537 8.537 8.697 -0.160 25783
1118 1 15 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.445 -0.184 25783
1119 1 15 . 1 1 14 14 GLN CA C 14 53.044 53.044 54.813 -1.769 25783
1120 1 15 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.323 -4.518 25783
1121 1 15 . 1 1 14 14 GLN H H 14 8.150 8.150 8.253 -0.103 25783
1122 1 15 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.320 0.614 25783
1123 1 15 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.354 0.016 25783
1124 1 15 . 1 1 15 15 TYR H H 15 8.232 8.232 7.858 0.374 25783
1125 1 15 . 1 1 16 16 TRP HA H 16 4.197 4.197 5.041 -0.844 25783
1126 1 15 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.660 -3.196 25783
1127 1 15 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.106 -2.078 25783
1128 1 15 . 1 1 16 16 TRP H H 16 8.641 8.641 8.842 -0.201 25783
1129 1 15 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.954 -0.659 25783
1130 1 15 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.263 -2.535 25783
1131 1 15 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.222 -6.208 25783
1132 1 15 . 1 1 17 17 ASP H H 17 7.381 7.381 8.584 -1.203 25783
1133 1 15 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.418 -0.997 25783
1134 1 15 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.306 -1.763 25783
1135 1 15 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.275 -4.808 25783
1136 1 15 . 1 1 18 18 GLN H H 18 7.690 7.690 8.256 -0.566 25783
1137 1 15 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.574 -0.099 25783
1138 1 15 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.389 -4.254 25783
1139 1 15 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.915 -4.451 25783
1140 1 15 . 1 1 19 19 HIS H H 19 8.232 8.232 8.674 -0.442 25783
1141 1 15 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.190 0.231 25783
1142 1 15 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.561 -3.643 25783
1143 1 15 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.456 -3.244 25783
1144 1 15 . 1 1 20 20 ALA H H 20 8.285 8.285 7.962 0.323 25783
1145 1 15 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.376 -0.085 25783
1146 1 15 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.859 -2.491 25783
1147 1 15 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.333 -3.089 25783
1148 1 15 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.347 -0.203 25783
1149 1 15 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.998 -2.671 25783
1150 1 15 . 1 1 22 22 LEU CB C 22 39.612 39.612 39.530 0.082 25783
1151 1 15 . 1 1 22 22 LEU H H 22 8.178 8.178 8.558 -0.380 25783
1152 1 15 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.152 0.048 25783
1153 1 15 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.324 -3.845 25783
1154 1 15 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.313 -2.737 25783
1155 1 15 . 1 1 23 23 ALA H H 23 8.121 8.121 7.983 0.138 25783
1156 1 16 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.645 0.110 25783
1157 1 16 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.802 -5.281 25783
1158 1 16 . 1 1 3 3 THR HA H 3 4.661 4.661 4.451 0.210 25783
1159 1 16 . 1 1 3 3 THR CA C 3 58.119 58.119 60.056 -1.937 25783
1160 1 16 . 1 1 3 3 THR CB C 3 67.067 67.067 69.152 -2.085 25783
1161 1 16 . 1 1 3 3 THR H H 3 7.697 7.697 7.835 -0.138 25783
1162 1 16 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.745 -0.582 25783
1163 1 16 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.589 -3.369 25783
1164 1 16 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.253 -4.029 25783
1165 1 16 . 1 1 5 5 MET HA H 5 4.630 4.630 4.408 0.222 25783
1166 1 16 . 1 1 5 5 MET CB C 5 31.723 31.723 32.156 -0.433 25783
1167 1 16 . 1 1 5 5 MET H H 5 7.527 7.527 7.344 0.183 25783
1168 1 16 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.258 0.584 25783
1169 1 16 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.723 -2.446 25783
1170 1 16 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.528 -2.247 25783
1171 1 16 . 1 1 6 6 VAL H H 6 8.442 8.442 7.537 0.905 25783
1172 1 16 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.401 -2.118 25783
1173 1 16 . 1 1 7 7 GLY H H 7 8.267 8.267 7.773 0.494 25783
1174 1 16 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.110 -0.024 25783
1175 1 16 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.635 -1.501 25783
1176 1 16 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.146 -1.188 25783
1177 1 16 . 1 1 8 8 LEU H H 8 6.472 6.472 7.695 -1.223 25783
1178 1 16 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.517 0.153 25783
1179 1 16 . 1 1 9 9 ASP CB C 9 39.699 39.699 40.832 -1.133 25783
1180 1 16 . 1 1 9 9 ASP H H 9 8.401 8.401 8.560 -0.159 25783
1181 1 16 . 1 1 10 10 SER HA H 10 4.254 4.254 4.326 -0.072 25783
1182 1 16 . 1 1 10 10 SER CA C 10 57.056 57.056 59.963 -2.907 25783
1183 1 16 . 1 1 10 10 SER CB C 10 60.570 60.570 63.573 -3.003 25783
1184 1 16 . 1 1 10 10 SER H H 10 9.124 9.124 9.140 -0.016 25783
1185 1 16 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.187 -0.103 25783
1186 1 16 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.598 -0.848 25783
1187 1 16 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.482 -2.914 25783
1188 1 16 . 1 1 11 11 VAL H H 11 8.901 8.901 8.240 0.661 25783
1189 1 16 . 1 1 12 12 SER HA H 12 4.436 4.436 4.115 0.321 25783
1190 1 16 . 1 1 12 12 SER CA C 12 55.999 55.999 58.219 -2.220 25783
1191 1 16 . 1 1 12 12 SER CB C 12 61.279 61.279 62.902 -1.623 25783
1192 1 16 . 1 1 12 12 SER H H 12 7.699 7.699 8.239 -0.540 25783
1193 1 16 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.715 -3.412 25783
1194 1 16 . 1 1 13 13 GLY H H 13 8.537 8.537 8.261 0.276 25783
1195 1 16 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.538 -0.277 25783
1196 1 16 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.370 -2.326 25783
1197 1 16 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.801 -2.996 25783
1198 1 16 . 1 1 14 14 GLN H H 14 8.150 8.150 8.138 0.012 25783
1199 1 16 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.419 0.515 25783
1200 1 16 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.367 0.002 25783
1201 1 16 . 1 1 15 15 TYR H H 15 8.232 8.232 8.035 0.197 25783
1202 1 16 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.748 -0.551 25783
1203 1 16 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.329 -3.865 25783
1204 1 16 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.326 -2.298 25783
1205 1 16 . 1 1 16 16 TRP H H 16 8.641 8.641 8.652 -0.011 25783
1206 1 16 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.707 -0.412 25783
1207 1 16 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.893 -3.165 25783
1208 1 16 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.087 -5.073 25783
1209 1 16 . 1 1 17 17 ASP H H 17 7.381 7.381 9.015 -1.634 25783
1210 1 16 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.346 -0.925 25783
1211 1 16 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.794 -1.251 25783
1212 1 16 . 1 1 18 18 GLN CB C 18 26.467 26.467 27.723 -1.256 25783
1213 1 16 . 1 1 18 18 GLN H H 18 7.690 7.690 8.748 -1.058 25783
1214 1 16 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.281 0.194 25783
1215 1 16 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.115 -4.980 25783
1216 1 16 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.952 -2.488 25783
1217 1 16 . 1 1 19 19 HIS H H 19 8.232 8.232 7.825 0.407 25783
1218 1 16 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.682 -0.261 25783
1219 1 16 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.264 -2.346 25783
1220 1 16 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.093 -3.880 25783
1221 1 16 . 1 1 20 20 ALA H H 20 8.285 8.285 8.506 -0.221 25783
1222 1 16 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.499 -0.208 25783
1223 1 16 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.818 -2.450 25783
1224 1 16 . 1 1 21 21 PRO CB C 21 29.244 29.244 29.970 -0.726 25783
1225 1 16 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.551 -0.407 25783
1226 1 16 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.970 -2.643 25783
1227 1 16 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.450 -2.837 25783
1228 1 16 . 1 1 22 22 LEU H H 22 8.178 8.178 7.873 0.305 25783
1229 1 16 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.539 -0.339 25783
1230 1 16 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.447 -2.968 25783
1231 1 16 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.131 -2.555 25783
1232 1 16 . 1 1 23 23 ALA H H 23 8.121 8.121 8.902 -0.781 25783
1233 1 17 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.543 0.212 25783
1234 1 17 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.486 -4.965 25783
1235 1 17 . 1 1 3 3 THR HA H 3 4.661 4.661 4.475 0.186 25783
1236 1 17 . 1 1 3 3 THR CA C 3 58.119 58.119 60.229 -2.110 25783
1237 1 17 . 1 1 3 3 THR CB C 3 67.067 67.067 69.732 -2.665 25783
1238 1 17 . 1 1 3 3 THR H H 3 7.697 7.697 7.853 -0.156 25783
1239 1 17 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.619 -0.456 25783
1240 1 17 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.180 -2.961 25783
1241 1 17 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.497 -3.272 25783
1242 1 17 . 1 1 5 5 MET HA H 5 4.630 4.630 4.523 0.107 25783
1243 1 17 . 1 1 5 5 MET CB C 5 31.723 31.723 33.620 -1.897 25783
1244 1 17 . 1 1 5 5 MET H H 5 7.527 7.527 7.652 -0.125 25783
1245 1 17 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.852 0.990 25783
1246 1 17 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.388 -1.111 25783
1247 1 17 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.699 -2.418 25783
1248 1 17 . 1 1 6 6 VAL H H 6 8.442 8.442 8.516 -0.074 25783
1249 1 17 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.712 -2.429 25783
1250 1 17 . 1 1 7 7 GLY H H 7 8.267 8.267 7.522 0.745 25783
1251 1 17 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.534 -0.448 25783
1252 1 17 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.890 -1.756 25783
1253 1 17 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.336 -3.378 25783
1254 1 17 . 1 1 8 8 LEU H H 8 6.472 6.472 7.922 -1.450 25783
1255 1 17 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.971 -0.301 25783
1256 1 17 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.697 -3.998 25783
1257 1 17 . 1 1 9 9 ASP H H 9 8.401 8.401 8.250 0.151 25783
1258 1 17 . 1 1 10 10 SER HA H 10 4.254 4.254 4.287 -0.033 25783
1259 1 17 . 1 1 10 10 SER CA C 10 57.056 57.056 61.193 -4.137 25783
1260 1 17 . 1 1 10 10 SER CB C 10 60.570 60.570 63.878 -3.308 25783
1261 1 17 . 1 1 10 10 SER H H 10 9.124 9.124 9.154 -0.030 25783
1262 1 17 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.108 -0.024 25783
1263 1 17 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.102 -1.352 25783
1264 1 17 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.254 -2.686 25783
1265 1 17 . 1 1 11 11 VAL H H 11 8.901 8.901 7.937 0.964 25783
1266 1 17 . 1 1 12 12 SER HA H 12 4.436 4.436 4.650 -0.214 25783
1267 1 17 . 1 1 12 12 SER CA C 12 55.999 55.999 58.225 -2.226 25783
1268 1 17 . 1 1 12 12 SER CB C 12 61.279 61.279 65.792 -4.513 25783
1269 1 17 . 1 1 12 12 SER H H 12 7.699 7.699 7.981 -0.282 25783
1270 1 17 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.956 -2.653 25783
1271 1 17 . 1 1 13 13 GLY H H 13 8.537 8.537 8.281 0.256 25783
1272 1 17 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.667 -0.406 25783
1273 1 17 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.860 -2.816 25783
1274 1 17 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.469 -3.664 25783
1275 1 17 . 1 1 14 14 GLN H H 14 8.150 8.150 8.618 -0.468 25783
1276 1 17 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.788 0.146 25783
1277 1 17 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.321 -3.951 25783
1278 1 17 . 1 1 15 15 TYR H H 15 8.232 8.232 7.699 0.533 25783
1279 1 17 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.832 -0.635 25783
1280 1 17 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.474 -4.010 25783
1281 1 17 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.236 -2.208 25783
1282 1 17 . 1 1 16 16 TRP H H 16 8.641 8.641 8.869 -0.228 25783
1283 1 17 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.714 -0.419 25783
1284 1 17 . 1 1 17 17 ASP CA C 17 50.728 50.728 56.477 -5.749 25783
1285 1 17 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.374 -5.360 25783
1286 1 17 . 1 1 17 17 ASP H H 17 7.381 7.381 7.966 -0.585 25783
1287 1 17 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.013 -0.592 25783
1288 1 17 . 1 1 18 18 GLN CA C 18 53.543 53.543 57.638 -4.095 25783
1289 1 17 . 1 1 18 18 GLN CB C 18 26.467 26.467 27.668 -1.201 25783
1290 1 17 . 1 1 18 18 GLN H H 18 7.690 7.690 8.850 -1.160 25783
1291 1 17 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.388 0.087 25783
1292 1 17 . 1 1 19 19 HIS CA C 19 52.135 52.135 58.638 -6.503 25783
1293 1 17 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.498 -4.034 25783
1294 1 17 . 1 1 19 19 HIS H H 19 8.232 8.232 8.252 -0.020 25783
1295 1 17 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.426 -0.005 25783
1296 1 17 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.356 -2.438 25783
1297 1 17 . 1 1 20 20 ALA CB C 20 15.213 15.213 20.332 -5.119 25783
1298 1 17 . 1 1 20 20 ALA H H 20 8.285 8.285 7.734 0.551 25783
1299 1 17 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.712 -0.421 25783
1300 1 17 . 1 1 21 21 PRO CA C 21 60.368 60.368 63.156 -2.788 25783
1301 1 17 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.074 -1.830 25783
1302 1 17 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.741 -0.597 25783
1303 1 17 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.281 -1.954 25783
1304 1 17 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.500 -3.888 25783
1305 1 17 . 1 1 22 22 LEU H H 22 8.178 8.178 8.205 -0.027 25783
1306 1 17 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.348 -0.148 25783
1307 1 17 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.097 -2.618 25783
1308 1 17 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.230 -2.654 25783
1309 1 17 . 1 1 23 23 ALA H H 23 8.121 8.121 8.584 -0.463 25783
1310 1 18 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.485 0.270 25783
1311 1 18 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.943 -4.422 25783
1312 1 18 . 1 1 3 3 THR HA H 3 4.661 4.661 4.618 0.043 25783
1313 1 18 . 1 1 3 3 THR CA C 3 58.119 58.119 59.594 -1.475 25783
1314 1 18 . 1 1 3 3 THR CB C 3 67.067 67.067 69.219 -2.152 25783
1315 1 18 . 1 1 3 3 THR H H 3 7.697 7.697 7.853 -0.156 25783
1316 1 18 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.535 -0.372 25783
1317 1 18 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.806 -2.587 25783
1318 1 18 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.105 -3.881 25783
1319 1 18 . 1 1 5 5 MET HA H 5 4.630 4.630 4.496 0.134 25783
1320 1 18 . 1 1 5 5 MET CB C 5 31.723 31.723 33.325 -1.602 25783
1321 1 18 . 1 1 5 5 MET H H 5 7.527 7.527 7.799 -0.272 25783
1322 1 18 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.032 0.810 25783
1323 1 18 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.933 -1.656 25783
1324 1 18 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.375 -3.094 25783
1325 1 18 . 1 1 6 6 VAL H H 6 8.442 8.442 8.537 -0.095 25783
1326 1 18 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.591 -2.308 25783
1327 1 18 . 1 1 7 7 GLY H H 7 8.267 8.267 7.945 0.322 25783
1328 1 18 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.361 -0.275 25783
1329 1 18 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.516 -2.382 25783
1330 1 18 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.670 -2.712 25783
1331 1 18 . 1 1 8 8 LEU H H 8 6.472 6.472 8.156 -1.684 25783
1332 1 18 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.793 -0.123 25783
1333 1 18 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.486 -2.787 25783
1334 1 18 . 1 1 9 9 ASP H H 9 8.401 8.401 8.620 -0.219 25783
1335 1 18 . 1 1 10 10 SER HA H 10 4.254 4.254 4.316 -0.062 25783
1336 1 18 . 1 1 10 10 SER CA C 10 57.056 57.056 60.816 -3.760 25783
1337 1 18 . 1 1 10 10 SER CB C 10 60.570 60.570 63.486 -2.916 25783
1338 1 18 . 1 1 10 10 SER H H 10 9.124 9.124 8.643 0.481 25783
1339 1 18 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.028 0.056 25783
1340 1 18 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.011 -1.262 25783
1341 1 18 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.221 -2.653 25783
1342 1 18 . 1 1 11 11 VAL H H 11 8.901 8.901 7.701 1.200 25783
1343 1 18 . 1 1 12 12 SER HA H 12 4.436 4.436 4.651 -0.215 25783
1344 1 18 . 1 1 12 12 SER CA C 12 55.999 55.999 57.112 -1.113 25783
1345 1 18 . 1 1 12 12 SER CB C 12 61.279 61.279 64.861 -3.582 25783
1346 1 18 . 1 1 12 12 SER H H 12 7.699 7.699 7.688 0.011 25783
1347 1 18 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.458 -3.155 25783
1348 1 18 . 1 1 13 13 GLY H H 13 8.537 8.537 8.248 0.289 25783
1349 1 18 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.093 0.168 25783
1350 1 18 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.457 -3.413 25783
1351 1 18 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.442 -0.637 25783
1352 1 18 . 1 1 14 14 GLN H H 14 8.150 8.150 8.439 -0.289 25783
1353 1 18 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.332 0.602 25783
1354 1 18 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.671 -0.301 25783
1355 1 18 . 1 1 15 15 TYR H H 15 8.232 8.232 7.834 0.398 25783
1356 1 18 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.907 -0.710 25783
1357 1 18 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.240 -3.776 25783
1358 1 18 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.175 -2.147 25783
1359 1 18 . 1 1 16 16 TRP H H 16 8.641 8.641 9.115 -0.474 25783
1360 1 18 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.845 -0.550 25783
1361 1 18 . 1 1 17 17 ASP CA C 17 50.728 50.728 54.155 -3.427 25783
1362 1 18 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.740 -5.726 25783
1363 1 18 . 1 1 17 17 ASP H H 17 7.381 7.381 8.897 -1.516 25783
1364 1 18 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.401 -0.980 25783
1365 1 18 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.745 -2.202 25783
1366 1 18 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.184 -3.717 25783
1367 1 18 . 1 1 18 18 GLN H H 18 7.690 7.690 8.658 -0.968 25783
1368 1 18 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.165 0.310 25783
1369 1 18 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.346 -5.211 25783
1370 1 18 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.053 -2.589 25783
1371 1 18 . 1 1 19 19 HIS H H 19 8.232 8.232 8.531 -0.299 25783
1372 1 18 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.383 0.038 25783
1373 1 18 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.043 -3.125 25783
1374 1 18 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.749 -3.536 25783
1375 1 18 . 1 1 20 20 ALA H H 20 8.285 8.285 7.929 0.356 25783
1376 1 18 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.426 -0.135 25783
1377 1 18 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.500 -2.132 25783
1378 1 18 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.407 -3.163 25783
1379 1 18 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.081 0.063 25783
1380 1 18 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.334 -3.007 25783
1381 1 18 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.922 -2.310 25783
1382 1 18 . 1 1 22 22 LEU H H 22 8.178 8.178 7.947 0.231 25783
1383 1 18 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.134 0.066 25783
1384 1 18 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.070 -3.591 25783
1385 1 18 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.067 -0.491 25783
1386 1 18 . 1 1 23 23 ALA H H 23 8.121 8.121 8.776 -0.655 25783
1387 1 19 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.587 0.168 25783
1388 1 19 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.828 -4.307 25783
1389 1 19 . 1 1 3 3 THR HA H 3 4.661 4.661 4.457 0.204 25783
1390 1 19 . 1 1 3 3 THR CA C 3 58.119 58.119 59.746 -1.627 25783
1391 1 19 . 1 1 3 3 THR CB C 3 67.067 67.067 69.033 -1.966 25783
1392 1 19 . 1 1 3 3 THR H H 3 7.697 7.697 7.843 -0.146 25783
1393 1 19 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.772 -0.609 25783
1394 1 19 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.043 -2.824 25783
1395 1 19 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.058 -3.834 25783
1396 1 19 . 1 1 5 5 MET HA H 5 4.630 4.630 4.556 0.074 25783
1397 1 19 . 1 1 5 5 MET CB C 5 31.723 31.723 32.779 -1.056 25783
1398 1 19 . 1 1 5 5 MET H H 5 7.527 7.527 7.761 -0.234 25783
1399 1 19 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.419 1.423 25783
1400 1 19 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.623 -2.346 25783
1401 1 19 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.145 -2.864 25783
1402 1 19 . 1 1 6 6 VAL H H 6 8.442 8.442 8.281 0.161 25783
1403 1 19 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.538 -2.255 25783
1404 1 19 . 1 1 7 7 GLY H H 7 8.267 8.267 7.853 0.414 25783
1405 1 19 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.426 -0.340 25783
1406 1 19 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.474 -1.340 25783
1407 1 19 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.106 -4.148 25783
1408 1 19 . 1 1 8 8 LEU H H 8 6.472 6.472 7.849 -1.377 25783
1409 1 19 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.506 0.164 25783
1410 1 19 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.742 -3.043 25783
1411 1 19 . 1 1 9 9 ASP H H 9 8.401 8.401 7.879 0.522 25783
1412 1 19 . 1 1 10 10 SER HA H 10 4.254 4.254 4.271 -0.017 25783
1413 1 19 . 1 1 10 10 SER CA C 10 57.056 57.056 59.880 -2.824 25783
1414 1 19 . 1 1 10 10 SER CB C 10 60.570 60.570 63.082 -2.512 25783
1415 1 19 . 1 1 10 10 SER H H 10 9.124 9.124 8.612 0.512 25783
1416 1 19 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.084 -0.000 25783
1417 1 19 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.705 -0.955 25783
1418 1 19 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.312 -2.744 25783
1419 1 19 . 1 1 11 11 VAL H H 11 8.901 8.901 7.779 1.122 25783
1420 1 19 . 1 1 12 12 SER HA H 12 4.436 4.436 4.695 -0.259 25783
1421 1 19 . 1 1 12 12 SER CA C 12 55.999 55.999 56.858 -0.859 25783
1422 1 19 . 1 1 12 12 SER CB C 12 61.279 61.279 65.002 -3.723 25783
1423 1 19 . 1 1 12 12 SER H H 12 7.699 7.699 7.677 0.022 25783
1424 1 19 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.762 -2.459 25783
1425 1 19 . 1 1 13 13 GLY H H 13 8.537 8.537 8.341 0.196 25783
1426 1 19 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.050 0.211 25783
1427 1 19 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.611 -3.567 25783
1428 1 19 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.114 -0.309 25783
1429 1 19 . 1 1 14 14 GLN H H 14 8.150 8.150 8.604 -0.454 25783
1430 1 19 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.229 0.705 25783
1431 1 19 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.564 -0.194 25783
1432 1 19 . 1 1 15 15 TYR H H 15 8.232 8.232 7.901 0.331 25783
1433 1 19 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.737 -0.540 25783
1434 1 19 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.779 -3.315 25783
1435 1 19 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.425 -2.397 25783
1436 1 19 . 1 1 16 16 TRP H H 16 8.641 8.641 8.504 0.137 25783
1437 1 19 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.834 -0.539 25783
1438 1 19 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.443 -2.715 25783
1439 1 19 . 1 1 17 17 ASP CB C 17 37.014 37.014 41.558 -4.544 25783
1440 1 19 . 1 1 17 17 ASP H H 17 7.381 7.381 8.867 -1.486 25783
1441 1 19 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.339 -0.918 25783
1442 1 19 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.342 -1.799 25783
1443 1 19 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.082 -4.615 25783
1444 1 19 . 1 1 18 18 GLN H H 18 7.690 7.690 8.386 -0.696 25783
1445 1 19 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.283 0.192 25783
1446 1 19 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.426 -4.291 25783
1447 1 19 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.480 -3.016 25783
1448 1 19 . 1 1 19 19 HIS H H 19 8.232 8.232 8.318 -0.086 25783
1449 1 19 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.635 -0.214 25783
1450 1 19 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.804 -2.886 25783
1451 1 19 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.461 -4.248 25783
1452 1 19 . 1 1 20 20 ALA H H 20 8.285 8.285 8.301 -0.016 25783
1453 1 19 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.519 -0.228 25783
1454 1 19 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.928 -2.560 25783
1455 1 19 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.240 -2.996 25783
1456 1 19 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.389 -0.245 25783
1457 1 19 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.590 -3.263 25783
1458 1 19 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.070 -1.458 25783
1459 1 19 . 1 1 22 22 LEU H H 22 8.178 8.178 8.054 0.124 25783
1460 1 19 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.388 -0.188 25783
1461 1 19 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.091 -3.612 25783
1462 1 19 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.866 -2.290 25783
1463 1 19 . 1 1 23 23 ALA H H 23 8.121 8.121 8.311 -0.190 25783
1464 1 20 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.460 0.295 25783
1465 1 20 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.388 -4.867 25783
1466 1 20 . 1 1 3 3 THR HA H 3 4.661 4.661 4.361 0.300 25783
1467 1 20 . 1 1 3 3 THR CA C 3 58.119 58.119 60.222 -2.103 25783
1468 1 20 . 1 1 3 3 THR CB C 3 67.067 67.067 69.289 -2.222 25783
1469 1 20 . 1 1 3 3 THR H H 3 7.697 7.697 7.566 0.131 25783
1470 1 20 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.564 -0.401 25783
1471 1 20 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.004 -2.785 25783
1472 1 20 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.078 -3.854 25783
1473 1 20 . 1 1 5 5 MET HA H 5 4.630 4.630 4.556 0.074 25783
1474 1 20 . 1 1 5 5 MET CB C 5 31.723 31.723 32.662 -0.939 25783
1475 1 20 . 1 1 5 5 MET H H 5 7.527 7.527 7.572 -0.045 25783
1476 1 20 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.076 0.766 25783
1477 1 20 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.779 -1.502 25783
1478 1 20 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.017 -2.736 25783
1479 1 20 . 1 1 6 6 VAL H H 6 8.442 8.442 8.533 -0.091 25783
1480 1 20 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.633 -3.350 25783
1481 1 20 . 1 1 7 7 GLY H H 7 8.267 8.267 8.385 -0.118 25783
1482 1 20 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.432 -0.346 25783
1483 1 20 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.665 -1.531 25783
1484 1 20 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.681 -4.723 25783
1485 1 20 . 1 1 8 8 LEU H H 8 6.472 6.472 7.098 -0.626 25783
1486 1 20 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.676 -0.006 25783
1487 1 20 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.420 -2.721 25783
1488 1 20 . 1 1 9 9 ASP H H 9 8.401 8.401 8.525 -0.124 25783
1489 1 20 . 1 1 10 10 SER HA H 10 4.254 4.254 4.347 -0.093 25783
1490 1 20 . 1 1 10 10 SER CA C 10 57.056 57.056 60.027 -2.971 25783
1491 1 20 . 1 1 10 10 SER CB C 10 60.570 60.570 63.241 -2.671 25783
1492 1 20 . 1 1 10 10 SER H H 10 9.124 9.124 8.477 0.647 25783
1493 1 20 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.256 -0.172 25783
1494 1 20 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.550 -0.800 25783
1495 1 20 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.602 -3.034 25783
1496 1 20 . 1 1 11 11 VAL H H 11 8.901 8.901 8.381 0.520 25783
1497 1 20 . 1 1 12 12 SER HA H 12 4.436 4.436 4.486 -0.050 25783
1498 1 20 . 1 1 12 12 SER CA C 12 55.999 55.999 57.685 -1.686 25783
1499 1 20 . 1 1 12 12 SER CB C 12 61.279 61.279 64.045 -2.766 25783
1500 1 20 . 1 1 12 12 SER H H 12 7.699 7.699 8.110 -0.411 25783
1501 1 20 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.904 -2.601 25783
1502 1 20 . 1 1 13 13 GLY H H 13 8.537 8.537 8.315 0.222 25783
1503 1 20 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.448 -0.187 25783
1504 1 20 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.491 -2.447 25783
1505 1 20 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.044 -3.239 25783
1506 1 20 . 1 1 14 14 GLN H H 14 8.150 8.150 8.694 -0.544 25783
1507 1 20 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.161 -0.227 25783
1508 1 20 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.211 -3.841 25783
1509 1 20 . 1 1 15 15 TYR H H 15 8.232 8.232 7.670 0.562 25783
1510 1 20 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.735 -0.538 25783
1511 1 20 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.729 -4.265 25783
1512 1 20 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.239 -2.211 25783
1513 1 20 . 1 1 16 16 TRP H H 16 8.641 8.641 9.139 -0.498 25783
1514 1 20 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.949 -0.654 25783
1515 1 20 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.324 -2.596 25783
1516 1 20 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.242 -6.228 25783
1517 1 20 . 1 1 17 17 ASP H H 17 7.381 7.381 8.798 -1.417 25783
1518 1 20 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.532 -1.111 25783
1519 1 20 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.267 -1.724 25783
1520 1 20 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.136 -3.669 25783
1521 1 20 . 1 1 18 18 GLN H H 18 7.690 7.690 8.541 -0.851 25783
1522 1 20 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.203 0.272 25783
1523 1 20 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.696 -5.561 25783
1524 1 20 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.756 -2.292 25783
1525 1 20 . 1 1 19 19 HIS H H 19 8.232 8.232 8.171 0.061 25783
1526 1 20 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.231 0.190 25783
1527 1 20 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.962 -4.044 25783
1528 1 20 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.256 -3.043 25783
1529 1 20 . 1 1 20 20 ALA H H 20 8.285 8.285 8.632 -0.347 25783
1530 1 20 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.445 -0.154 25783
1531 1 20 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.537 -2.169 25783
1532 1 20 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.295 -3.051 25783
1533 1 20 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.609 -0.465 25783
1534 1 20 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.027 -2.700 25783
1535 1 20 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.015 -2.403 25783
1536 1 20 . 1 1 22 22 LEU H H 22 8.178 8.178 7.935 0.243 25783
1537 1 20 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.476 -0.276 25783
1538 1 20 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.218 -2.739 25783
1539 1 20 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.284 -0.708 25783
1540 1 20 . 1 1 23 23 ALA H H 23 8.121 8.121 8.435 -0.314 25783
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 0 0.000 0.000 0.000 25783
2 1 1 "Average Difference" HA 24 0.468 0.244 0.408 25783
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25783
4 1 1 "Average Difference" CA 18 2.687 2.600 0.697 25783
5 1 1 "Average Difference" CB 20 3.248 3.058 1.123 25783
6 1 1 "Average Difference" HN 19 0.633 0.179 0.624 25783
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25783
8 1 2 "Average Difference" HA 24 0.499 0.266 0.432 25783
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25783
10 1 2 "Average Difference" CA 18 2.759 2.573 1.026 25783
11 1 2 "Average Difference" CB 20 3.460 3.142 1.484 25783
12 1 2 "Average Difference" HN 19 0.664 0.153 0.664 25783
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25783
14 1 3 "Average Difference" HA 24 0.482 0.241 0.426 25783
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25783
16 1 3 "Average Difference" CA 18 2.828 2.487 1.384 25783
17 1 3 "Average Difference" CB 20 3.323 3.106 1.211 25783
18 1 3 "Average Difference" HN 19 0.616 0.115 0.622 25783
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25783
20 1 4 "Average Difference" HA 24 0.451 0.241 0.389 25783
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25783
22 1 4 "Average Difference" CA 18 2.782 2.574 1.084 25783
23 1 4 "Average Difference" CB 20 3.464 2.999 1.778 25783
24 1 4 "Average Difference" HN 19 0.572 0.219 0.543 25783
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25783
26 1 5 "Average Difference" HA 24 0.445 0.156 0.426 25783
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25783
28 1 5 "Average Difference" CA 18 2.909 2.658 1.216 25783
29 1 5 "Average Difference" CB 20 3.357 3.103 1.314 25783
30 1 5 "Average Difference" HN 19 0.719 0.090 0.733 25783
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25783
32 1 6 "Average Difference" HA 24 0.512 0.183 0.488 25783
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25783
34 1 6 "Average Difference" CA 18 2.524 2.371 0.890 25783
35 1 6 "Average Difference" CB 20 3.501 3.180 1.501 25783
36 1 6 "Average Difference" HN 19 0.606 0.147 0.604 25783
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25783
38 1 7 "Average Difference" HA 24 0.433 0.168 0.408 25783
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25783
40 1 7 "Average Difference" CA 18 2.793 2.578 1.105 25783
41 1 7 "Average Difference" CB 20 3.251 2.974 1.348 25783
42 1 7 "Average Difference" HN 19 0.641 0.110 0.649 25783
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25783
44 1 8 "Average Difference" HA 24 0.432 0.172 0.405 25783
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25783
46 1 8 "Average Difference" CA 18 2.668 2.509 0.931 25783
47 1 8 "Average Difference" CB 20 3.234 3.027 1.169 25783
48 1 8 "Average Difference" HN 19 0.620 0.181 0.610 25783
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25783
50 1 9 "Average Difference" HA 24 0.412 0.216 0.359 25783
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25783
52 1 9 "Average Difference" CA 18 2.569 2.443 0.818 25783
53 1 9 "Average Difference" CB 20 3.425 3.176 1.316 25783
54 1 9 "Average Difference" HN 19 0.657 0.154 0.656 25783
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25783
56 1 10 "Average Difference" HA 24 0.447 0.201 0.408 25783
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25783
58 1 10 "Average Difference" CA 18 2.641 2.421 1.085 25783
59 1 10 "Average Difference" CB 20 3.368 3.040 1.487 25783
60 1 10 "Average Difference" HN 19 0.635 0.246 0.602 25783
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25783
62 1 11 "Average Difference" HA 24 0.519 0.273 0.452 25783
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25783
64 1 11 "Average Difference" CA 18 2.575 2.424 0.893 25783
65 1 11 "Average Difference" CB 20 3.448 3.257 1.161 25783
66 1 11 "Average Difference" HN 19 0.672 0.317 0.608 25783
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25783
68 1 12 "Average Difference" HA 24 0.502 0.210 0.466 25783
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25783
70 1 12 "Average Difference" CA 18 2.826 2.706 0.838 25783
71 1 12 "Average Difference" CB 20 3.375 3.061 1.459 25783
72 1 12 "Average Difference" HN 19 0.555 0.156 0.547 25783
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25783
74 1 13 "Average Difference" HA 24 0.431 0.203 0.389 25783
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25783
76 1 13 "Average Difference" CA 18 2.726 2.495 1.129 25783
77 1 13 "Average Difference" CB 20 3.466 3.242 1.257 25783
78 1 13 "Average Difference" HN 19 0.658 0.082 0.670 25783
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25783
80 1 14 "Average Difference" HA 24 0.433 0.167 0.408 25783
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25783
82 1 14 "Average Difference" CA 18 2.579 2.423 0.907 25783
83 1 14 "Average Difference" CB 20 3.336 3.097 1.272 25783
84 1 14 "Average Difference" HN 19 0.606 0.159 0.600 25783
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25783
86 1 15 "Average Difference" HA 24 0.461 0.158 0.442 25783
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25783
88 1 15 "Average Difference" CA 18 2.730 2.565 0.963 25783
89 1 15 "Average Difference" CB 20 3.399 3.018 1.606 25783
90 1 15 "Average Difference" HN 19 0.546 0.157 0.538 25783
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25783
92 1 16 "Average Difference" HA 24 0.421 0.154 0.400 25783
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25783
94 1 16 "Average Difference" CA 18 2.765 2.597 0.975 25783
95 1 16 "Average Difference" CB 20 2.779 2.402 1.434 25783
96 1 16 "Average Difference" HN 19 0.657 0.123 0.663 25783
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25783
98 1 17 "Average Difference" HA 24 0.442 0.187 0.409 25783
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25783
100 1 17 "Average Difference" CA 18 3.290 2.984 1.428 25783
101 1 17 "Average Difference" CB 20 3.535 3.350 1.156 25783
102 1 17 "Average Difference" HN 19 0.588 0.098 0.595 25783
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25783
104 1 18 "Average Difference" HA 24 0.447 0.091 0.448 25783
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25783
106 1 18 "Average Difference" CA 18 2.939 2.755 1.053 25783
107 1 18 "Average Difference" CB 20 3.011 2.721 1.324 25783
108 1 18 "Average Difference" HN 19 0.698 0.176 0.694 25783
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25783
110 1 19 "Average Difference" HA 24 0.504 0.094 0.506 25783
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25783
112 1 19 "Average Difference" CA 18 2.687 2.527 0.939 25783
113 1 19 "Average Difference" CB 20 3.098 2.813 1.330 25783
114 1 19 "Average Difference" HN 19 0.611 0.060 0.625 25783
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25783
116 1 20 "Average Difference" HA 24 0.456 0.179 0.428 25783
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25783
118 1 20 "Average Difference" CA 18 2.865 2.643 1.138 25783
119 1 20 "Average Difference" CB 20 3.302 3.061 1.270 25783
120 1 20 "Average Difference" HN 19 0.525 0.158 0.514 25783
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 25783
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.566 0.189 25783
2 1 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.923 -4.402 25783
3 1 . 1 1 3 3 THR HA H 3 4.661 4.661 4.503 0.158 25783
4 1 . 1 1 3 3 THR CA C 3 58.119 58.119 59.456 -1.337 25783
5 1 . 1 1 3 3 THR CB C 3 67.067 67.067 69.415 -2.348 25783
6 1 . 1 1 3 3 THR H H 3 7.697 7.697 7.750 -0.053 25783
7 1 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.419 -0.256 25783
8 1 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.150 -2.931 25783
9 1 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.030 -3.806 25783
10 1 . 1 1 5 5 MET HA H 5 4.630 4.630 4.436 0.194 25783
11 1 . 1 1 5 5 MET CB C 5 31.723 31.723 32.264 -0.541 25783
12 1 . 1 1 5 5 MET H H 5 7.527 7.527 7.550 -0.023 25783
13 1 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.449 0.393 25783
14 1 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.939 -1.662 25783
15 1 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.627 -2.346 25783
16 1 . 1 1 6 6 VAL H H 6 8.442 8.442 8.407 0.035 25783
17 1 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.826 -2.542 25783
18 1 . 1 1 7 7 GLY H H 7 8.267 8.267 7.960 0.307 25783
19 1 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.439 -0.353 25783
20 1 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.355 -2.221 25783
21 1 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.112 -3.154 25783
22 1 . 1 1 8 8 LEU H H 8 6.472 6.472 7.959 -1.487 25783
23 1 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.797 -0.127 25783
24 1 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.969 -3.270 25783
25 1 . 1 1 9 9 ASP H H 9 8.401 8.401 8.391 0.010 25783
26 1 . 1 1 10 10 SER HA H 10 4.254 4.254 4.326 -0.072 25783
27 1 . 1 1 10 10 SER CA C 10 57.056 57.056 60.431 -3.375 25783
28 1 . 1 1 10 10 SER CB C 10 60.570 60.570 63.674 -3.103 25783
29 1 . 1 1 10 10 SER H H 10 9.124 9.124 8.851 0.273 25783
30 1 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.179 -0.095 25783
31 1 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.785 -1.035 25783
32 1 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.501 -2.932 25783
33 1 . 1 1 11 11 VAL H H 11 8.901 8.901 8.190 0.711 25783
34 1 . 1 1 12 12 SER HA H 12 4.436 4.436 4.573 -0.137 25783
35 1 . 1 1 12 12 SER CA C 12 55.999 55.999 57.796 -1.797 25783
36 1 . 1 1 12 12 SER CB C 12 61.279 61.279 65.090 -3.811 25783
37 1 . 1 1 12 12 SER H H 12 7.699 7.699 8.082 -0.383 25783
38 1 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.103 -2.800 25783
39 1 . 1 1 13 13 GLY H H 13 8.537 8.537 8.399 0.138 25783
40 1 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.399 -0.138 25783
41 1 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.820 -2.776 25783
42 1 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.702 -2.897 25783
43 1 . 1 1 14 14 GLN H H 14 8.150 8.150 8.562 -0.412 25783
44 1 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.828 0.106 25783
45 1 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.313 -2.943 25783
46 1 . 1 1 15 15 TYR H H 15 8.232 8.232 7.709 0.523 25783
47 1 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.845 -0.648 25783
48 1 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.194 -3.730 25783
49 1 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.077 -2.049 25783
50 1 . 1 1 16 16 TRP H H 16 8.641 8.641 9.004 -0.363 25783
51 1 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.791 -0.496 25783
52 1 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.461 -2.733 25783
53 1 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.560 -5.546 25783
54 1 . 1 1 17 17 ASP H H 17 7.381 7.381 8.663 -1.282 25783
55 1 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.446 -1.024 25783
56 1 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.508 -1.965 25783
57 1 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.515 -3.048 25783
58 1 . 1 1 18 18 GLN H H 18 7.690 7.690 8.464 -0.774 25783
59 1 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.431 0.044 25783
60 1 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.617 -4.482 25783
61 1 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.862 -3.398 25783
62 1 . 1 1 19 19 HIS H H 19 8.232 8.232 8.186 0.046 25783
63 1 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.447 -0.026 25783
64 1 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.839 -2.921 25783
65 1 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.981 -3.768 25783
66 1 . 1 1 20 20 ALA H H 20 8.285 8.285 8.214 0.070 25783
67 1 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.512 -0.221 25783
68 1 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.820 -2.452 25783
69 1 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.648 -2.404 25783
70 1 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.455 -0.311 25783
71 1 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.997 -2.670 25783
72 1 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.003 -2.391 25783
73 1 . 1 1 22 22 LEU H H 22 8.178 8.178 8.122 0.056 25783
74 1 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.445 -0.245 25783
75 1 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.250 -2.771 25783
76 1 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.246 -2.670 25783
77 1 . 1 1 23 23 ALA H H 23 8.121 8.121 8.441 -0.320 25783
stop_
save_