data_25297
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25297
_Entry.PDB_ID 2MW3
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 25297
_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 LEU HA H 2 3.737 3.737 4.037 -0.300 25297
2 1 1 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.019 -1.419 25297
3 1 1 . 1 1 2 2 LEU H H 2 8.056 8.056 8.622 -0.566 25297
4 1 1 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.211 -2.611 25297
5 1 1 . 1 1 3 3 GLY H H 3 8.323 8.323 7.646 0.677 25297
6 1 1 . 1 1 4 4 SER HA H 4 4.558 4.558 4.511 0.047 25297
7 1 1 . 1 1 4 4 SER CA C 4 54.500 54.500 58.944 -4.444 25297
8 1 1 . 1 1 4 4 SER H H 4 7.675 7.675 8.547 -0.872 25297
9 1 1 . 1 1 5 5 SER HA H 5 4.558 4.558 4.380 0.178 25297
10 1 1 . 1 1 5 5 SER CA C 5 55.200 55.200 57.138 -1.938 25297
11 1 1 . 1 1 5 5 SER H H 5 8.171 8.171 7.538 0.633 25297
12 1 1 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.272 0.097 25297
13 1 1 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.687 -3.087 25297
14 1 1 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.629 -0.096 25297
15 1 1 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.154 -2.754 25297
16 1 1 . 1 1 7 7 TYR H H 7 7.656 7.656 7.412 0.244 25297
17 1 1 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.397 -0.348 25297
18 1 1 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.659 -1.659 25297
19 1 1 . 1 1 8 8 ASN H H 8 8.524 8.524 8.468 0.056 25297
20 1 1 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.801 0.043 25297
21 1 1 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.032 -6.532 25297
22 1 1 . 1 1 9 9 ASP H H 9 8.888 8.888 8.344 0.544 25297
23 1 1 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.225 -0.174 25297
24 1 1 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.606 -1.306 25297
25 1 1 . 1 1 10 10 ILE H H 10 8.230 8.230 7.944 0.286 25297
26 1 1 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.457 0.065 25297
27 1 1 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.813 -3.014 25297
28 1 1 . 1 1 11 11 LEU H H 11 7.283 7.283 7.955 -0.672 25297
29 1 1 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.613 -3.313 25297
30 1 1 . 1 1 12 12 GLY H H 12 8.394 8.394 8.000 0.394 25297
31 1 1 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.638 0.195 25297
32 1 1 . 1 1 13 13 TYR CA C 13 52.900 52.900 55.582 -2.682 25297
33 1 1 . 1 1 13 13 TYR H H 13 6.984 6.984 7.753 -0.769 25297
34 1 1 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.343 -0.031 25297
35 1 1 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.740 -1.740 25297
36 1 1 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.511 -0.314 25297
37 1 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.460 -1.660 25297
38 1 1 . 1 1 15 15 ALA H H 15 8.566 8.566 9.083 -0.517 25297
39 1 1 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.628 -0.069 25297
40 1 1 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.766 -1.366 25297
41 1 1 . 1 1 16 16 LEU H H 16 8.202 8.202 8.420 -0.218 25297
42 1 1 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.183 0.053 25297
43 1 1 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.934 -4.034 25297
44 1 1 . 1 1 17 17 ILE H H 17 7.656 7.656 7.831 -0.175 25297
45 1 1 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.396 -0.205 25297
46 1 1 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.331 -2.631 25297
47 1 1 . 1 1 18 18 VAL H H 18 8.329 8.329 8.004 0.325 25297
48 1 1 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.122 0.128 25297
49 1 1 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.625 -4.825 25297
50 1 1 . 1 1 19 19 ILE H H 19 8.058 8.058 8.272 -0.214 25297
51 1 1 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.185 -0.415 25297
52 1 1 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.131 -1.331 25297
53 1 1 . 1 1 20 20 TYR H H 20 8.154 8.154 7.239 0.915 25297
54 1 2 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.004 -0.267 25297
55 1 2 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.978 -1.378 25297
56 1 2 . 1 1 2 2 LEU H H 2 8.056 8.056 8.509 -0.453 25297
57 1 2 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.335 -3.735 25297
58 1 2 . 1 1 3 3 GLY H H 3 8.323 8.323 7.609 0.714 25297
59 1 2 . 1 1 4 4 SER HA H 4 4.558 4.558 4.579 -0.021 25297
60 1 2 . 1 1 4 4 SER CA C 4 54.500 54.500 58.627 -4.127 25297
61 1 2 . 1 1 4 4 SER H H 4 7.675 7.675 8.368 -0.693 25297
62 1 2 . 1 1 5 5 SER HA H 5 4.558 4.558 4.469 0.089 25297
63 1 2 . 1 1 5 5 SER CA C 5 55.200 55.200 57.419 -2.219 25297
64 1 2 . 1 1 5 5 SER H H 5 8.171 8.171 7.817 0.354 25297
65 1 2 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.312 0.057 25297
66 1 2 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.645 -3.045 25297
67 1 2 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.521 0.012 25297
68 1 2 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.844 -4.444 25297
69 1 2 . 1 1 7 7 TYR H H 7 7.656 7.656 7.560 0.096 25297
70 1 2 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.334 -0.285 25297
71 1 2 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.377 -2.377 25297
72 1 2 . 1 1 8 8 ASN H H 8 8.524 8.524 8.520 0.004 25297
73 1 2 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.662 0.182 25297
74 1 2 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.472 -6.972 25297
75 1 2 . 1 1 9 9 ASP H H 9 8.888 8.888 8.438 0.450 25297
76 1 2 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.256 -0.205 25297
77 1 2 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.559 -1.259 25297
78 1 2 . 1 1 10 10 ILE H H 10 8.230 8.230 7.816 0.414 25297
79 1 2 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.498 0.024 25297
80 1 2 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.932 -3.132 25297
81 1 2 . 1 1 11 11 LEU H H 11 7.283 7.283 8.048 -0.765 25297
82 1 2 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.384 -3.084 25297
83 1 2 . 1 1 12 12 GLY H H 12 8.394 8.394 7.707 0.687 25297
84 1 2 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.441 0.392 25297
85 1 2 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.666 -3.766 25297
86 1 2 . 1 1 13 13 TYR H H 13 6.984 6.984 7.908 -0.924 25297
87 1 2 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.440 -0.128 25297
88 1 2 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.292 -1.292 25297
89 1 2 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.624 -0.427 25297
90 1 2 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.285 -0.485 25297
91 1 2 . 1 1 15 15 ALA H H 15 8.566 8.566 9.026 -0.460 25297
92 1 2 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.806 -0.247 25297
93 1 2 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.328 -1.928 25297
94 1 2 . 1 1 16 16 LEU H H 16 8.202 8.202 8.675 -0.473 25297
95 1 2 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.968 0.268 25297
96 1 2 . 1 1 17 17 ILE CA C 17 57.900 57.900 63.840 -5.940 25297
97 1 2 . 1 1 17 17 ILE H H 17 7.656 7.656 7.522 0.134 25297
98 1 2 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.715 0.476 25297
99 1 2 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.338 -4.638 25297
100 1 2 . 1 1 18 18 VAL H H 18 8.329 8.329 7.862 0.467 25297
101 1 2 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.130 0.120 25297
102 1 2 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.251 -3.451 25297
103 1 2 . 1 1 19 19 ILE H H 19 8.058 8.058 7.291 0.767 25297
104 1 2 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.321 0.449 25297
105 1 2 . 1 1 20 20 TYR CA C 20 52.800 52.800 57.531 -4.731 25297
106 1 2 . 1 1 20 20 TYR H H 20 8.154 8.154 7.583 0.571 25297
107 1 3 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.011 -0.274 25297
108 1 3 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.761 -1.161 25297
109 1 3 . 1 1 2 2 LEU H H 2 8.056 8.056 8.523 -0.467 25297
110 1 3 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.325 -2.725 25297
111 1 3 . 1 1 3 3 GLY H H 3 8.323 8.323 7.555 0.768 25297
112 1 3 . 1 1 4 4 SER HA H 4 4.558 4.558 4.580 -0.022 25297
113 1 3 . 1 1 4 4 SER CA C 4 54.500 54.500 58.399 -3.899 25297
114 1 3 . 1 1 4 4 SER H H 4 7.675 7.675 8.453 -0.778 25297
115 1 3 . 1 1 5 5 SER HA H 5 4.558 4.558 4.754 -0.196 25297
116 1 3 . 1 1 5 5 SER CA C 5 55.200 55.200 57.381 -2.181 25297
117 1 3 . 1 1 5 5 SER H H 5 8.171 8.171 8.133 0.038 25297
118 1 3 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.326 0.043 25297
119 1 3 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.656 -3.056 25297
120 1 3 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.533 0.000 25297
121 1 3 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.734 -4.334 25297
122 1 3 . 1 1 7 7 TYR H H 7 7.656 7.656 7.591 0.065 25297
123 1 3 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.116 -0.067 25297
124 1 3 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.390 -2.390 25297
125 1 3 . 1 1 8 8 ASN H H 8 8.524 8.524 8.525 -0.001 25297
126 1 3 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.641 0.203 25297
127 1 3 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.565 -7.065 25297
128 1 3 . 1 1 9 9 ASP H H 9 8.888 8.888 8.540 0.348 25297
129 1 3 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.392 -0.341 25297
130 1 3 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.714 -1.414 25297
131 1 3 . 1 1 10 10 ILE H H 10 8.230 8.230 7.832 0.398 25297
132 1 3 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.636 -0.114 25297
133 1 3 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.810 -3.010 25297
134 1 3 . 1 1 11 11 LEU H H 11 7.283 7.283 7.980 -0.697 25297
135 1 3 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.486 -3.186 25297
136 1 3 . 1 1 12 12 GLY H H 12 8.394 8.394 7.878 0.516 25297
137 1 3 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.584 0.249 25297
138 1 3 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.065 -3.165 25297
139 1 3 . 1 1 13 13 TYR H H 13 6.984 6.984 7.872 -0.888 25297
140 1 3 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.328 -0.016 25297
141 1 3 . 1 1 14 14 PRO CA C 14 62.000 62.000 64.031 -2.031 25297
142 1 3 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.692 -0.495 25297
143 1 3 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.524 -0.724 25297
144 1 3 . 1 1 15 15 ALA H H 15 8.566 8.566 9.147 -0.581 25297
145 1 3 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.753 -0.194 25297
146 1 3 . 1 1 16 16 LEU CA C 16 52.400 52.400 55.183 -2.783 25297
147 1 3 . 1 1 16 16 LEU H H 16 8.202 8.202 8.611 -0.409 25297
148 1 3 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.229 0.007 25297
149 1 3 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.924 -3.024 25297
150 1 3 . 1 1 17 17 ILE H H 17 7.656 7.656 7.920 -0.264 25297
151 1 3 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.039 0.152 25297
152 1 3 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.105 -3.405 25297
153 1 3 . 1 1 18 18 VAL H H 18 8.329 8.329 7.528 0.801 25297
154 1 3 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.962 0.288 25297
155 1 3 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.783 -3.983 25297
156 1 3 . 1 1 19 19 ILE H H 19 8.058 8.058 7.878 0.180 25297
157 1 3 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.308 0.462 25297
158 1 3 . 1 1 20 20 TYR CA C 20 52.800 52.800 56.524 -3.724 25297
159 1 3 . 1 1 20 20 TYR H H 20 8.154 8.154 7.739 0.415 25297
160 1 4 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.022 -0.285 25297
161 1 4 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.986 -1.386 25297
162 1 4 . 1 1 2 2 LEU H H 2 8.056 8.056 8.691 -0.635 25297
163 1 4 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.550 -2.950 25297
164 1 4 . 1 1 3 3 GLY H H 3 8.323 8.323 7.419 0.904 25297
165 1 4 . 1 1 4 4 SER HA H 4 4.558 4.558 4.405 0.153 25297
166 1 4 . 1 1 4 4 SER CA C 4 54.500 54.500 58.497 -3.997 25297
167 1 4 . 1 1 4 4 SER H H 4 7.675 7.675 8.227 -0.552 25297
168 1 4 . 1 1 5 5 SER HA H 5 4.558 4.558 4.140 0.418 25297
169 1 4 . 1 1 5 5 SER CA C 5 55.200 55.200 57.890 -2.690 25297
170 1 4 . 1 1 5 5 SER H H 5 8.171 8.171 7.529 0.642 25297
171 1 4 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.196 0.173 25297
172 1 4 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.238 -3.638 25297
173 1 4 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.529 0.004 25297
174 1 4 . 1 1 7 7 TYR CA C 7 53.400 53.400 54.626 -1.226 25297
175 1 4 . 1 1 7 7 TYR H H 7 7.656 7.656 7.004 0.652 25297
176 1 4 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.160 -0.112 25297
177 1 4 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.748 -1.748 25297
178 1 4 . 1 1 8 8 ASN H H 8 8.524 8.524 8.401 0.123 25297
179 1 4 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.689 0.155 25297
180 1 4 . 1 1 9 9 ASP CA C 9 48.500 48.500 54.685 -6.185 25297
181 1 4 . 1 1 9 9 ASP H H 9 8.888 8.888 8.373 0.515 25297
182 1 4 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.179 -0.128 25297
183 1 4 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.727 -1.427 25297
184 1 4 . 1 1 10 10 ILE H H 10 8.230 8.230 7.910 0.320 25297
185 1 4 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.507 0.015 25297
186 1 4 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.120 -3.320 25297
187 1 4 . 1 1 11 11 LEU H H 11 7.283 7.283 7.943 -0.660 25297
188 1 4 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.367 -3.067 25297
189 1 4 . 1 1 12 12 GLY H H 12 8.394 8.394 7.990 0.404 25297
190 1 4 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.584 0.249 25297
191 1 4 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.202 -3.302 25297
192 1 4 . 1 1 13 13 TYR H H 13 6.984 6.984 7.845 -0.861 25297
193 1 4 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.335 -0.023 25297
194 1 4 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.638 -1.638 25297
195 1 4 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.544 -0.347 25297
196 1 4 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.075 -0.275 25297
197 1 4 . 1 1 15 15 ALA H H 15 8.566 8.566 8.841 -0.275 25297
198 1 4 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.631 -0.072 25297
199 1 4 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.876 -1.476 25297
200 1 4 . 1 1 16 16 LEU H H 16 8.202 8.202 8.425 -0.223 25297
201 1 4 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.980 0.256 25297
202 1 4 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.997 -4.097 25297
203 1 4 . 1 1 17 17 ILE H H 17 7.656 7.656 7.627 0.029 25297
204 1 4 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.905 0.286 25297
205 1 4 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.210 -3.510 25297
206 1 4 . 1 1 18 18 VAL H H 18 8.329 8.329 8.279 0.050 25297
207 1 4 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.168 0.082 25297
208 1 4 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.036 -4.237 25297
209 1 4 . 1 1 19 19 ILE H H 19 8.058 8.058 7.282 0.776 25297
210 1 4 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.678 0.092 25297
211 1 4 . 1 1 20 20 TYR CA C 20 52.800 52.800 57.979 -5.179 25297
212 1 4 . 1 1 20 20 TYR H H 20 8.154 8.154 7.172 0.982 25297
213 1 5 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.950 -0.213 25297
214 1 5 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.423 -0.823 25297
215 1 5 . 1 1 2 2 LEU H H 2 8.056 8.056 8.651 -0.595 25297
216 1 5 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.391 -3.791 25297
217 1 5 . 1 1 3 3 GLY H H 3 8.323 8.323 7.749 0.574 25297
218 1 5 . 1 1 4 4 SER HA H 4 4.558 4.558 4.698 -0.140 25297
219 1 5 . 1 1 4 4 SER CA C 4 54.500 54.500 58.007 -3.507 25297
220 1 5 . 1 1 4 4 SER H H 4 7.675 7.675 8.383 -0.708 25297
221 1 5 . 1 1 5 5 SER HA H 5 4.558 4.558 4.612 -0.054 25297
222 1 5 . 1 1 5 5 SER CA C 5 55.200 55.200 57.223 -2.023 25297
223 1 5 . 1 1 5 5 SER H H 5 8.171 8.171 8.319 -0.148 25297
224 1 5 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.133 0.236 25297
225 1 5 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.499 -3.899 25297
226 1 5 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.535 -0.002 25297
227 1 5 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.982 -3.582 25297
228 1 5 . 1 1 7 7 TYR H H 7 7.656 7.656 7.858 -0.202 25297
229 1 5 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.055 -0.006 25297
230 1 5 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.342 -2.342 25297
231 1 5 . 1 1 8 8 ASN H H 8 8.524 8.524 8.485 0.039 25297
232 1 5 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.711 0.133 25297
233 1 5 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.270 -6.770 25297
234 1 5 . 1 1 9 9 ASP H H 9 8.888 8.888 8.777 0.111 25297
235 1 5 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.244 -0.193 25297
236 1 5 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.698 -1.398 25297
237 1 5 . 1 1 10 10 ILE H H 10 8.230 8.230 7.940 0.290 25297
238 1 5 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.527 -0.005 25297
239 1 5 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.088 -3.288 25297
240 1 5 . 1 1 11 11 LEU H H 11 7.283 7.283 7.976 -0.693 25297
241 1 5 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.371 -3.071 25297
242 1 5 . 1 1 12 12 GLY H H 12 8.394 8.394 7.987 0.407 25297
243 1 5 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.605 0.228 25297
244 1 5 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.533 -3.633 25297
245 1 5 . 1 1 13 13 TYR H H 13 6.984 6.984 7.707 -0.723 25297
246 1 5 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.487 -0.175 25297
247 1 5 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.857 -1.857 25297
248 1 5 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.641 -0.444 25297
249 1 5 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.304 -0.505 25297
250 1 5 . 1 1 15 15 ALA H H 15 8.566 8.566 9.086 -0.520 25297
251 1 5 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.761 -0.202 25297
252 1 5 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.169 -1.769 25297
253 1 5 . 1 1 16 16 LEU H H 16 8.202 8.202 8.514 -0.312 25297
254 1 5 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.243 -0.007 25297
255 1 5 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.480 -3.580 25297
256 1 5 . 1 1 17 17 ILE H H 17 7.656 7.656 7.952 -0.296 25297
257 1 5 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.829 0.362 25297
258 1 5 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.322 -3.622 25297
259 1 5 . 1 1 18 18 VAL H H 18 8.329 8.329 7.304 1.025 25297
260 1 5 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.993 0.257 25297
261 1 5 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.339 -3.539 25297
262 1 5 . 1 1 19 19 ILE H H 19 8.058 8.058 7.498 0.560 25297
263 1 5 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.931 -0.161 25297
264 1 5 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.396 -1.596 25297
265 1 5 . 1 1 20 20 TYR H H 20 8.154 8.154 6.734 1.420 25297
266 1 6 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.946 -0.209 25297
267 1 6 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.428 -0.828 25297
268 1 6 . 1 1 2 2 LEU H H 2 8.056 8.056 8.673 -0.617 25297
269 1 6 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.362 -3.763 25297
270 1 6 . 1 1 3 3 GLY H H 3 8.323 8.323 7.717 0.606 25297
271 1 6 . 1 1 4 4 SER HA H 4 4.558 4.558 4.611 -0.053 25297
272 1 6 . 1 1 4 4 SER CA C 4 54.500 54.500 57.711 -3.211 25297
273 1 6 . 1 1 4 4 SER H H 4 7.675 7.675 8.459 -0.784 25297
274 1 6 . 1 1 5 5 SER HA H 5 4.558 4.558 4.641 -0.083 25297
275 1 6 . 1 1 5 5 SER CA C 5 55.200 55.200 57.382 -2.182 25297
276 1 6 . 1 1 5 5 SER H H 5 8.171 8.171 8.215 -0.044 25297
277 1 6 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.130 0.239 25297
278 1 6 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.438 -3.838 25297
279 1 6 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.541 -0.008 25297
280 1 6 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.951 -3.551 25297
281 1 6 . 1 1 7 7 TYR H H 7 7.656 7.656 7.794 -0.138 25297
282 1 6 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.029 0.020 25297
283 1 6 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.522 -2.522 25297
284 1 6 . 1 1 8 8 ASN H H 8 8.524 8.524 8.495 0.029 25297
285 1 6 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.652 0.192 25297
286 1 6 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.257 -7.756 25297
287 1 6 . 1 1 9 9 ASP H H 9 8.888 8.888 8.570 0.318 25297
288 1 6 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.203 -0.152 25297
289 1 6 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.675 -1.375 25297
290 1 6 . 1 1 10 10 ILE H H 10 8.230 8.230 7.958 0.272 25297
291 1 6 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.236 0.286 25297
292 1 6 . 1 1 11 11 LEU CA C 11 51.800 51.800 56.225 -4.426 25297
293 1 6 . 1 1 11 11 LEU H H 11 7.283 7.283 7.821 -0.538 25297
294 1 6 . 1 1 12 12 GLY CA C 12 42.300 42.300 44.742 -2.442 25297
295 1 6 . 1 1 12 12 GLY H H 12 8.394 8.394 7.697 0.697 25297
296 1 6 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.560 0.273 25297
297 1 6 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.652 -3.752 25297
298 1 6 . 1 1 13 13 TYR H H 13 6.984 6.984 8.057 -1.073 25297
299 1 6 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.495 -0.183 25297
300 1 6 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.764 -1.764 25297
301 1 6 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.602 -0.405 25297
302 1 6 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.470 -0.670 25297
303 1 6 . 1 1 15 15 ALA H H 15 8.566 8.566 9.140 -0.574 25297
304 1 6 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.857 -0.298 25297
305 1 6 . 1 1 16 16 LEU CA C 16 52.400 52.400 52.897 -0.497 25297
306 1 6 . 1 1 16 16 LEU H H 16 8.202 8.202 8.423 -0.221 25297
307 1 6 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.349 -0.113 25297
308 1 6 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.971 -3.071 25297
309 1 6 . 1 1 17 17 ILE H H 17 7.656 7.656 7.742 -0.086 25297
310 1 6 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.447 -0.256 25297
311 1 6 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.387 -2.687 25297
312 1 6 . 1 1 18 18 VAL H H 18 8.329 8.329 8.174 0.155 25297
313 1 6 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.173 0.077 25297
314 1 6 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.004 -4.204 25297
315 1 6 . 1 1 19 19 ILE H H 19 8.058 8.058 8.594 -0.536 25297
316 1 6 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.159 -0.389 25297
317 1 6 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.436 -0.636 25297
318 1 6 . 1 1 20 20 TYR H H 20 8.154 8.154 7.892 0.262 25297
319 1 7 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.003 -0.266 25297
320 1 7 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.976 -1.376 25297
321 1 7 . 1 1 2 2 LEU H H 2 8.056 8.056 8.541 -0.485 25297
322 1 7 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.339 -2.739 25297
323 1 7 . 1 1 3 3 GLY H H 3 8.323 8.323 7.456 0.867 25297
324 1 7 . 1 1 4 4 SER HA H 4 4.558 4.558 4.510 0.048 25297
325 1 7 . 1 1 4 4 SER CA C 4 54.500 54.500 58.454 -3.954 25297
326 1 7 . 1 1 4 4 SER H H 4 7.675 7.675 8.428 -0.753 25297
327 1 7 . 1 1 5 5 SER HA H 5 4.558 4.558 4.358 0.200 25297
328 1 7 . 1 1 5 5 SER CA C 5 55.200 55.200 58.203 -3.003 25297
329 1 7 . 1 1 5 5 SER H H 5 8.171 8.171 7.809 0.362 25297
330 1 7 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.257 0.112 25297
331 1 7 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.671 -3.071 25297
332 1 7 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.472 0.061 25297
333 1 7 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.593 -4.193 25297
334 1 7 . 1 1 7 7 TYR H H 7 7.656 7.656 7.596 0.060 25297
335 1 7 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.135 -0.086 25297
336 1 7 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.845 -1.845 25297
337 1 7 . 1 1 8 8 ASN H H 8 8.524 8.524 8.416 0.108 25297
338 1 7 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.657 0.187 25297
339 1 7 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.093 -6.593 25297
340 1 7 . 1 1 9 9 ASP H H 9 8.888 8.888 8.385 0.503 25297
341 1 7 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.240 -0.189 25297
342 1 7 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.765 -1.465 25297
343 1 7 . 1 1 10 10 ILE H H 10 8.230 8.230 7.964 0.266 25297
344 1 7 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.546 -0.024 25297
345 1 7 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.046 -3.246 25297
346 1 7 . 1 1 11 11 LEU H H 11 7.283 7.283 7.935 -0.652 25297
347 1 7 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.539 -3.239 25297
348 1 7 . 1 1 12 12 GLY H H 12 8.394 8.394 7.989 0.405 25297
349 1 7 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.612 0.221 25297
350 1 7 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.013 -3.113 25297
351 1 7 . 1 1 13 13 TYR H H 13 6.984 6.984 7.770 -0.786 25297
352 1 7 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.221 0.091 25297
353 1 7 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.936 -1.936 25297
354 1 7 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.540 -0.343 25297
355 1 7 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.650 -0.850 25297
356 1 7 . 1 1 15 15 ALA H H 15 8.566 8.566 8.989 -0.423 25297
357 1 7 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.572 -0.013 25297
358 1 7 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.896 -1.496 25297
359 1 7 . 1 1 16 16 LEU H H 16 8.202 8.202 8.437 -0.235 25297
360 1 7 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.873 0.363 25297
361 1 7 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.689 -3.789 25297
362 1 7 . 1 1 17 17 ILE H H 17 7.656 7.656 7.454 0.202 25297
363 1 7 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.061 0.130 25297
364 1 7 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.108 -4.408 25297
365 1 7 . 1 1 18 18 VAL H H 18 8.329 8.329 7.710 0.619 25297
366 1 7 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.096 0.154 25297
367 1 7 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.732 -3.932 25297
368 1 7 . 1 1 19 19 ILE H H 19 8.058 8.058 7.984 0.074 25297
369 1 7 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297
370 1 7 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.765 -0.965 25297
371 1 7 . 1 1 20 20 TYR H H 20 8.154 8.154 7.370 0.784 25297
372 1 8 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.007 -0.270 25297
373 1 8 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.695 -1.095 25297
374 1 8 . 1 1 2 2 LEU H H 2 8.056 8.056 8.647 -0.591 25297
375 1 8 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.504 -3.904 25297
376 1 8 . 1 1 3 3 GLY H H 3 8.323 8.323 7.846 0.477 25297
377 1 8 . 1 1 4 4 SER HA H 4 4.558 4.558 4.666 -0.108 25297
378 1 8 . 1 1 4 4 SER CA C 4 54.500 54.500 57.794 -3.294 25297
379 1 8 . 1 1 4 4 SER H H 4 7.675 7.675 8.347 -0.672 25297
380 1 8 . 1 1 5 5 SER HA H 5 4.558 4.558 4.540 0.018 25297
381 1 8 . 1 1 5 5 SER CA C 5 55.200 55.200 56.930 -1.730 25297
382 1 8 . 1 1 5 5 SER H H 5 8.171 8.171 8.370 -0.200 25297
383 1 8 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.126 0.243 25297
384 1 8 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.324 -3.724 25297
385 1 8 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.565 -0.032 25297
386 1 8 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.777 -3.377 25297
387 1 8 . 1 1 7 7 TYR H H 7 7.656 7.656 7.859 -0.203 25297
388 1 8 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.201 -0.152 25297
389 1 8 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.366 -2.366 25297
390 1 8 . 1 1 8 8 ASN H H 8 8.524 8.524 8.518 0.006 25297
391 1 8 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.653 0.191 25297
392 1 8 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.096 -7.596 25297
393 1 8 . 1 1 9 9 ASP H H 9 8.888 8.888 8.581 0.307 25297
394 1 8 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.262 -0.211 25297
395 1 8 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.475 -1.175 25297
396 1 8 . 1 1 10 10 ILE H H 10 8.230 8.230 8.153 0.077 25297
397 1 8 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.202 0.320 25297
398 1 8 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.955 -4.155 25297
399 1 8 . 1 1 11 11 LEU H H 11 7.283 7.283 7.831 -0.548 25297
400 1 8 . 1 1 12 12 GLY CA C 12 42.300 42.300 44.749 -2.449 25297
401 1 8 . 1 1 12 12 GLY H H 12 8.394 8.394 7.706 0.688 25297
402 1 8 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.548 0.285 25297
403 1 8 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.211 -3.311 25297
404 1 8 . 1 1 13 13 TYR H H 13 6.984 6.984 8.056 -1.072 25297
405 1 8 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.340 -0.028 25297
406 1 8 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.745 -1.745 25297
407 1 8 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.495 -0.298 25297
408 1 8 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.083 -1.282 25297
409 1 8 . 1 1 15 15 ALA H H 15 8.566 8.566 8.989 -0.423 25297
410 1 8 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.627 -0.068 25297
411 1 8 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.908 -1.508 25297
412 1 8 . 1 1 16 16 LEU H H 16 8.202 8.202 8.615 -0.413 25297
413 1 8 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.965 0.271 25297
414 1 8 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.860 -3.960 25297
415 1 8 . 1 1 17 17 ILE H H 17 7.656 7.656 7.531 0.125 25297
416 1 8 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.038 0.153 25297
417 1 8 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.008 -4.309 25297
418 1 8 . 1 1 18 18 VAL H H 18 8.329 8.329 7.801 0.528 25297
419 1 8 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.937 0.313 25297
420 1 8 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.947 -5.147 25297
421 1 8 . 1 1 19 19 ILE H H 19 8.058 8.058 7.775 0.283 25297
422 1 8 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297
423 1 8 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.981 -1.181 25297
424 1 8 . 1 1 20 20 TYR H H 20 8.154 8.154 6.867 1.287 25297
425 1 9 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.077 -0.340 25297
426 1 9 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.219 -1.619 25297
427 1 9 . 1 1 2 2 LEU H H 2 8.056 8.056 8.888 -0.832 25297
428 1 9 . 1 1 3 3 GLY CA C 3 41.600 41.600 43.989 -2.389 25297
429 1 9 . 1 1 3 3 GLY H H 3 8.323 8.323 7.907 0.416 25297
430 1 9 . 1 1 4 4 SER HA H 4 4.558 4.558 4.444 0.114 25297
431 1 9 . 1 1 4 4 SER CA C 4 54.500 54.500 59.192 -4.692 25297
432 1 9 . 1 1 4 4 SER H H 4 7.675 7.675 8.663 -0.988 25297
433 1 9 . 1 1 5 5 SER HA H 5 4.558 4.558 4.454 0.104 25297
434 1 9 . 1 1 5 5 SER CA C 5 55.200 55.200 57.975 -2.775 25297
435 1 9 . 1 1 5 5 SER H H 5 8.171 8.171 7.677 0.494 25297
436 1 9 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.409 -0.040 25297
437 1 9 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.804 -3.204 25297
438 1 9 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.596 -0.063 25297
439 1 9 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.399 -3.999 25297
440 1 9 . 1 1 7 7 TYR H H 7 7.656 7.656 7.621 0.035 25297
441 1 9 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.199 -0.150 25297
442 1 9 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.061 -2.061 25297
443 1 9 . 1 1 8 8 ASN H H 8 8.524 8.524 8.476 0.048 25297
444 1 9 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.682 0.162 25297
445 1 9 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.542 -7.042 25297
446 1 9 . 1 1 9 9 ASP H H 9 8.888 8.888 8.787 0.101 25297
447 1 9 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.383 -0.332 25297
448 1 9 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.726 -1.426 25297
449 1 9 . 1 1 10 10 ILE H H 10 8.230 8.230 7.751 0.479 25297
450 1 9 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.634 -0.112 25297
451 1 9 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.794 -2.994 25297
452 1 9 . 1 1 11 11 LEU H H 11 7.283 7.283 7.931 -0.648 25297
453 1 9 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.352 -3.052 25297
454 1 9 . 1 1 12 12 GLY H H 12 8.394 8.394 7.921 0.473 25297
455 1 9 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.649 0.184 25297
456 1 9 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.521 -3.621 25297
457 1 9 . 1 1 13 13 TYR H H 13 6.984 6.984 7.723 -0.739 25297
458 1 9 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.353 -0.041 25297
459 1 9 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.954 -1.954 25297
460 1 9 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.760 -0.563 25297
461 1 9 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.072 -0.272 25297
462 1 9 . 1 1 15 15 ALA H H 15 8.566 8.566 8.932 -0.366 25297
463 1 9 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.707 -0.148 25297
464 1 9 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.417 -2.017 25297
465 1 9 . 1 1 16 16 LEU H H 16 8.202 8.202 8.257 -0.055 25297
466 1 9 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.176 0.060 25297
467 1 9 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.186 -3.286 25297
468 1 9 . 1 1 17 17 ILE H H 17 7.656 7.656 7.409 0.247 25297
469 1 9 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.129 0.062 25297
470 1 9 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.279 -3.579 25297
471 1 9 . 1 1 18 18 VAL H H 18 8.329 8.329 7.256 1.073 25297
472 1 9 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.012 0.238 25297
473 1 9 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.554 -3.754 25297
474 1 9 . 1 1 19 19 ILE H H 19 8.058 8.058 8.044 0.014 25297
475 1 9 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.501 0.269 25297
476 1 9 . 1 1 20 20 TYR CA C 20 52.800 52.800 55.680 -2.880 25297
477 1 9 . 1 1 20 20 TYR H H 20 8.154 8.154 7.742 0.412 25297
478 1 10 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.117 -0.380 25297
479 1 10 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.019 -1.419 25297
480 1 10 . 1 1 2 2 LEU H H 2 8.056 8.056 8.751 -0.695 25297
481 1 10 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.367 -3.767 25297
482 1 10 . 1 1 3 3 GLY H H 3 8.323 8.323 7.507 0.816 25297
483 1 10 . 1 1 4 4 SER HA H 4 4.558 4.558 4.660 -0.102 25297
484 1 10 . 1 1 4 4 SER CA C 4 54.500 54.500 57.761 -3.261 25297
485 1 10 . 1 1 4 4 SER H H 4 7.675 7.675 8.375 -0.700 25297
486 1 10 . 1 1 5 5 SER HA H 5 4.558 4.558 4.621 -0.063 25297
487 1 10 . 1 1 5 5 SER CA C 5 55.200 55.200 57.050 -1.850 25297
488 1 10 . 1 1 5 5 SER H H 5 8.171 8.171 8.299 -0.128 25297
489 1 10 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.151 0.218 25297
490 1 10 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.358 -3.758 25297
491 1 10 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.540 -0.007 25297
492 1 10 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.302 -3.902 25297
493 1 10 . 1 1 7 7 TYR H H 7 7.656 7.656 7.671 -0.015 25297
494 1 10 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.354 -0.305 25297
495 1 10 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.345 -2.345 25297
496 1 10 . 1 1 8 8 ASN H H 8 8.524 8.524 8.475 0.049 25297
497 1 10 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.702 0.142 25297
498 1 10 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.225 -6.725 25297
499 1 10 . 1 1 9 9 ASP H H 9 8.888 8.888 8.469 0.419 25297
500 1 10 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.171 -0.120 25297
501 1 10 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.761 -1.461 25297
502 1 10 . 1 1 10 10 ILE H H 10 8.230 8.230 7.895 0.335 25297
503 1 10 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.481 0.041 25297
504 1 10 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.993 -3.193 25297
505 1 10 . 1 1 11 11 LEU H H 11 7.283 7.283 7.899 -0.616 25297
506 1 10 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.415 -3.115 25297
507 1 10 . 1 1 12 12 GLY H H 12 8.394 8.394 7.933 0.461 25297
508 1 10 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.617 0.216 25297
509 1 10 . 1 1 13 13 TYR CA C 13 52.900 52.900 55.745 -2.845 25297
510 1 10 . 1 1 13 13 TYR H H 13 6.984 6.984 7.719 -0.735 25297
511 1 10 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.370 -0.058 25297
512 1 10 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.683 -1.683 25297
513 1 10 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.603 -0.406 25297
514 1 10 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.401 -0.601 25297
515 1 10 . 1 1 15 15 ALA H H 15 8.566 8.566 8.948 -0.383 25297
516 1 10 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.735 -0.176 25297
517 1 10 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.070 -1.670 25297
518 1 10 . 1 1 16 16 LEU H H 16 8.202 8.202 8.642 -0.440 25297
519 1 10 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.252 -0.016 25297
520 1 10 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.834 -2.934 25297
521 1 10 . 1 1 17 17 ILE H H 17 7.656 7.656 7.990 -0.334 25297
522 1 10 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.998 0.193 25297
523 1 10 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.286 -2.586 25297
524 1 10 . 1 1 18 18 VAL H H 18 8.329 8.329 7.331 0.998 25297
525 1 10 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.043 0.207 25297
526 1 10 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.707 -3.907 25297
527 1 10 . 1 1 19 19 ILE H H 19 8.058 8.058 7.553 0.505 25297
528 1 10 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.717 0.053 25297
529 1 10 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.273 -1.473 25297
530 1 10 . 1 1 20 20 TYR H H 20 8.154 8.154 6.706 1.448 25297
531 1 11 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.989 -0.252 25297
532 1 11 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.795 -1.195 25297
533 1 11 . 1 1 2 2 LEU H H 2 8.056 8.056 8.588 -0.532 25297
534 1 11 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.313 -2.713 25297
535 1 11 . 1 1 3 3 GLY H H 3 8.323 8.323 7.476 0.847 25297
536 1 11 . 1 1 4 4 SER HA H 4 4.558 4.558 4.602 -0.044 25297
537 1 11 . 1 1 4 4 SER CA C 4 54.500 54.500 58.294 -3.794 25297
538 1 11 . 1 1 4 4 SER H H 4 7.675 7.675 8.402 -0.727 25297
539 1 11 . 1 1 5 5 SER HA H 5 4.558 4.558 4.599 -0.041 25297
540 1 11 . 1 1 5 5 SER CA C 5 55.200 55.200 57.218 -2.018 25297
541 1 11 . 1 1 5 5 SER H H 5 8.171 8.171 8.159 0.012 25297
542 1 11 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.288 0.081 25297
543 1 11 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.580 -2.980 25297
544 1 11 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.519 0.014 25297
545 1 11 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.807 -4.407 25297
546 1 11 . 1 1 7 7 TYR H H 7 7.656 7.656 7.868 -0.212 25297
547 1 11 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.135 -0.086 25297
548 1 11 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.221 -2.221 25297
549 1 11 . 1 1 8 8 ASN H H 8 8.524 8.524 8.546 -0.022 25297
550 1 11 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.698 0.146 25297
551 1 11 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.211 -6.711 25297
552 1 11 . 1 1 9 9 ASP H H 9 8.888 8.888 8.482 0.406 25297
553 1 11 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.238 -0.187 25297
554 1 11 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.753 -1.453 25297
555 1 11 . 1 1 10 10 ILE H H 10 8.230 8.230 7.946 0.284 25297
556 1 11 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.557 -0.035 25297
557 1 11 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.998 -3.198 25297
558 1 11 . 1 1 11 11 LEU H H 11 7.283 7.283 7.939 -0.656 25297
559 1 11 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.525 -3.225 25297
560 1 11 . 1 1 12 12 GLY H H 12 8.394 8.394 7.862 0.532 25297
561 1 11 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.490 0.343 25297
562 1 11 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.463 -3.563 25297
563 1 11 . 1 1 13 13 TYR H H 13 6.984 6.984 7.897 -0.913 25297
564 1 11 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.453 -0.141 25297
565 1 11 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.793 -1.793 25297
566 1 11 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.650 -0.453 25297
567 1 11 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.211 -0.411 25297
568 1 11 . 1 1 15 15 ALA H H 15 8.566 8.566 9.083 -0.517 25297
569 1 11 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.626 -0.067 25297
570 1 11 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.885 -1.485 25297
571 1 11 . 1 1 16 16 LEU H H 16 8.202 8.202 8.520 -0.318 25297
572 1 11 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.130 0.106 25297
573 1 11 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.814 -3.914 25297
574 1 11 . 1 1 17 17 ILE H H 17 7.656 7.656 7.761 -0.105 25297
575 1 11 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.509 -0.318 25297
576 1 11 . 1 1 18 18 VAL CA C 18 58.700 58.700 60.326 -1.626 25297
577 1 11 . 1 1 18 18 VAL H H 18 8.329 8.329 7.984 0.345 25297
578 1 11 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.131 0.119 25297
579 1 11 . 1 1 19 19 ILE CA C 19 57.800 57.800 63.235 -5.435 25297
580 1 11 . 1 1 19 19 ILE H H 19 8.058 8.058 8.702 -0.644 25297
581 1 11 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.234 -0.464 25297
582 1 11 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.492 -0.692 25297
583 1 11 . 1 1 20 20 TYR H H 20 8.154 8.154 8.062 0.092 25297
584 1 12 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.085 -0.348 25297
585 1 12 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.144 -1.544 25297
586 1 12 . 1 1 2 2 LEU H H 2 8.056 8.056 8.601 -0.545 25297
587 1 12 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.390 -2.790 25297
588 1 12 . 1 1 3 3 GLY H H 3 8.323 8.323 7.519 0.804 25297
589 1 12 . 1 1 4 4 SER HA H 4 4.558 4.558 4.567 -0.009 25297
590 1 12 . 1 1 4 4 SER CA C 4 54.500 54.500 58.209 -3.709 25297
591 1 12 . 1 1 4 4 SER H H 4 7.675 7.675 8.418 -0.743 25297
592 1 12 . 1 1 5 5 SER HA H 5 4.558 4.558 4.752 -0.194 25297
593 1 12 . 1 1 5 5 SER CA C 5 55.200 55.200 56.455 -1.254 25297
594 1 12 . 1 1 5 5 SER H H 5 8.171 8.171 8.091 0.080 25297
595 1 12 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.365 0.004 25297
596 1 12 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.634 -3.034 25297
597 1 12 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.639 -0.106 25297
598 1 12 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.312 -3.912 25297
599 1 12 . 1 1 7 7 TYR H H 7 7.656 7.656 7.600 0.056 25297
600 1 12 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.412 -0.363 25297
601 1 12 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.327 -2.327 25297
602 1 12 . 1 1 8 8 ASN H H 8 8.524 8.524 8.578 -0.054 25297
603 1 12 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.802 0.042 25297
604 1 12 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.947 -7.447 25297
605 1 12 . 1 1 9 9 ASP H H 9 8.888 8.888 8.553 0.335 25297
606 1 12 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.363 -0.312 25297
607 1 12 . 1 1 10 10 ILE CA C 10 60.300 60.300 62.086 -1.786 25297
608 1 12 . 1 1 10 10 ILE H H 10 8.230 8.230 7.598 0.632 25297
609 1 12 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.558 -0.036 25297
610 1 12 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.156 -3.356 25297
611 1 12 . 1 1 11 11 LEU H H 11 7.283 7.283 8.119 -0.836 25297
612 1 12 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.460 -3.160 25297
613 1 12 . 1 1 12 12 GLY H H 12 8.394 8.394 7.790 0.604 25297
614 1 12 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.553 0.280 25297
615 1 12 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.243 -3.343 25297
616 1 12 . 1 1 13 13 TYR H H 13 6.984 6.984 7.964 -0.980 25297
617 1 12 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.504 -0.192 25297
618 1 12 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.281 -1.281 25297
619 1 12 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.695 -0.498 25297
620 1 12 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.170 -0.370 25297
621 1 12 . 1 1 15 15 ALA H H 15 8.566 8.566 9.096 -0.530 25297
622 1 12 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.696 -0.137 25297
623 1 12 . 1 1 16 16 LEU CA C 16 52.400 52.400 55.298 -2.898 25297
624 1 12 . 1 1 16 16 LEU H H 16 8.202 8.202 8.661 -0.459 25297
625 1 12 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.203 0.033 25297
626 1 12 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.976 -3.076 25297
627 1 12 . 1 1 17 17 ILE H H 17 7.656 7.656 7.859 -0.203 25297
628 1 12 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.933 0.258 25297
629 1 12 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.687 -4.987 25297
630 1 12 . 1 1 18 18 VAL H H 18 8.329 8.329 7.445 0.884 25297
631 1 12 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.105 0.145 25297
632 1 12 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.635 -3.835 25297
633 1 12 . 1 1 19 19 ILE H H 19 8.058 8.058 7.977 0.081 25297
634 1 12 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.303 0.467 25297
635 1 12 . 1 1 20 20 TYR CA C 20 52.800 52.800 56.872 -4.072 25297
636 1 12 . 1 1 20 20 TYR H H 20 8.154 8.154 7.990 0.164 25297
637 1 13 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.075 -0.338 25297
638 1 13 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.325 -1.725 25297
639 1 13 . 1 1 2 2 LEU H H 2 8.056 8.056 8.699 -0.643 25297
640 1 13 . 1 1 3 3 GLY CA C 3 41.600 41.600 43.958 -2.358 25297
641 1 13 . 1 1 3 3 GLY H H 3 8.323 8.323 8.033 0.290 25297
642 1 13 . 1 1 4 4 SER HA H 4 4.558 4.558 4.611 -0.053 25297
643 1 13 . 1 1 4 4 SER CA C 4 54.500 54.500 58.909 -4.409 25297
644 1 13 . 1 1 4 4 SER H H 4 7.675 7.675 8.603 -0.928 25297
645 1 13 . 1 1 5 5 SER HA H 5 4.558 4.558 4.591 -0.033 25297
646 1 13 . 1 1 5 5 SER CA C 5 55.200 55.200 57.084 -1.884 25297
647 1 13 . 1 1 5 5 SER H H 5 8.171 8.171 7.975 0.196 25297
648 1 13 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.416 -0.047 25297
649 1 13 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.724 -3.124 25297
650 1 13 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.591 -0.058 25297
651 1 13 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.365 -3.965 25297
652 1 13 . 1 1 7 7 TYR H H 7 7.656 7.656 7.602 0.054 25297
653 1 13 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.187 -0.138 25297
654 1 13 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.055 -2.055 25297
655 1 13 . 1 1 8 8 ASN H H 8 8.524 8.524 8.483 0.041 25297
656 1 13 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.698 0.146 25297
657 1 13 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.304 -6.804 25297
658 1 13 . 1 1 9 9 ASP H H 9 8.888 8.888 8.701 0.187 25297
659 1 13 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.247 -0.196 25297
660 1 13 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.793 -1.493 25297
661 1 13 . 1 1 10 10 ILE H H 10 8.230 8.230 7.925 0.305 25297
662 1 13 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.496 0.026 25297
663 1 13 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.999 -3.199 25297
664 1 13 . 1 1 11 11 LEU H H 11 7.283 7.283 7.978 -0.695 25297
665 1 13 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.321 -3.021 25297
666 1 13 . 1 1 12 12 GLY H H 12 8.394 8.394 8.013 0.381 25297
667 1 13 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.619 0.214 25297
668 1 13 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.521 -3.621 25297
669 1 13 . 1 1 13 13 TYR H H 13 6.984 6.984 7.707 -0.723 25297
670 1 13 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.428 -0.116 25297
671 1 13 . 1 1 14 14 PRO CA C 14 62.000 62.000 64.061 -2.061 25297
672 1 13 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.722 -0.525 25297
673 1 13 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.127 -0.327 25297
674 1 13 . 1 1 15 15 ALA H H 15 8.566 8.566 9.087 -0.521 25297
675 1 13 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.740 -0.181 25297
676 1 13 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.436 -2.036 25297
677 1 13 . 1 1 16 16 LEU H H 16 8.202 8.202 8.615 -0.413 25297
678 1 13 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.143 0.093 25297
679 1 13 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.309 -3.409 25297
680 1 13 . 1 1 17 17 ILE H H 17 7.656 7.656 7.634 0.022 25297
681 1 13 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.755 0.436 25297
682 1 13 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.796 -4.096 25297
683 1 13 . 1 1 18 18 VAL H H 18 8.329 8.329 7.442 0.887 25297
684 1 13 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.961 0.289 25297
685 1 13 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.958 -4.158 25297
686 1 13 . 1 1 19 19 ILE H H 19 8.058 8.058 7.620 0.438 25297
687 1 13 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.705 0.065 25297
688 1 13 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.245 -1.445 25297
689 1 13 . 1 1 20 20 TYR H H 20 8.154 8.154 6.850 1.304 25297
690 1 14 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.114 -0.377 25297
691 1 14 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.030 -1.430 25297
692 1 14 . 1 1 2 2 LEU H H 2 8.056 8.056 8.689 -0.633 25297
693 1 14 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.303 -2.704 25297
694 1 14 . 1 1 3 3 GLY H H 3 8.323 8.323 7.917 0.406 25297
695 1 14 . 1 1 4 4 SER HA H 4 4.558 4.558 4.555 0.003 25297
696 1 14 . 1 1 4 4 SER CA C 4 54.500 54.500 58.641 -4.141 25297
697 1 14 . 1 1 4 4 SER H H 4 7.675 7.675 8.476 -0.801 25297
698 1 14 . 1 1 5 5 SER HA H 5 4.558 4.558 4.752 -0.194 25297
699 1 14 . 1 1 5 5 SER CA C 5 55.200 55.200 56.268 -1.068 25297
700 1 14 . 1 1 5 5 SER H H 5 8.171 8.171 8.124 0.047 25297
701 1 14 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.309 0.060 25297
702 1 14 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.550 -2.950 25297
703 1 14 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.511 0.022 25297
704 1 14 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.878 -4.478 25297
705 1 14 . 1 1 7 7 TYR H H 7 7.656 7.656 7.961 -0.305 25297
706 1 14 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.334 -0.285 25297
707 1 14 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.078 -2.078 25297
708 1 14 . 1 1 8 8 ASN H H 8 8.524 8.524 8.513 0.011 25297
709 1 14 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.716 0.128 25297
710 1 14 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.364 -6.864 25297
711 1 14 . 1 1 9 9 ASP H H 9 8.888 8.888 8.497 0.391 25297
712 1 14 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.227 -0.176 25297
713 1 14 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.717 -1.417 25297
714 1 14 . 1 1 10 10 ILE H H 10 8.230 8.230 7.936 0.294 25297
715 1 14 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.494 0.028 25297
716 1 14 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.964 -3.163 25297
717 1 14 . 1 1 11 11 LEU H H 11 7.283 7.283 7.920 -0.637 25297
718 1 14 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.486 -3.186 25297
719 1 14 . 1 1 12 12 GLY H H 12 8.394 8.394 7.903 0.491 25297
720 1 14 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.511 0.322 25297
721 1 14 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.264 -3.364 25297
722 1 14 . 1 1 13 13 TYR H H 13 6.984 6.984 7.857 -0.873 25297
723 1 14 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.658 -0.346 25297
724 1 14 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.294 -1.294 25297
725 1 14 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.717 -0.520 25297
726 1 14 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.166 -0.366 25297
727 1 14 . 1 1 15 15 ALA H H 15 8.566 8.566 9.074 -0.508 25297
728 1 14 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.673 -0.114 25297
729 1 14 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.149 -1.749 25297
730 1 14 . 1 1 16 16 LEU H H 16 8.202 8.202 8.589 -0.387 25297
731 1 14 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.387 -0.151 25297
732 1 14 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.257 -3.357 25297
733 1 14 . 1 1 17 17 ILE H H 17 7.656 7.656 7.536 0.120 25297
734 1 14 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.443 -0.252 25297
735 1 14 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.220 -2.520 25297
736 1 14 . 1 1 18 18 VAL H H 18 8.329 8.329 8.054 0.275 25297
737 1 14 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.964 0.286 25297
738 1 14 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.837 -5.037 25297
739 1 14 . 1 1 19 19 ILE H H 19 8.058 8.058 8.225 -0.167 25297
740 1 14 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297
741 1 14 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.195 -0.395 25297
742 1 14 . 1 1 20 20 TYR H H 20 8.154 8.154 7.642 0.512 25297
743 1 15 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.967 -0.230 25297
744 1 15 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.739 -1.139 25297
745 1 15 . 1 1 2 2 LEU H H 2 8.056 8.056 8.575 -0.519 25297
746 1 15 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.444 -2.844 25297
747 1 15 . 1 1 3 3 GLY H H 3 8.323 8.323 7.462 0.861 25297
748 1 15 . 1 1 4 4 SER HA H 4 4.558 4.558 4.570 -0.012 25297
749 1 15 . 1 1 4 4 SER CA C 4 54.500 54.500 58.007 -3.507 25297
750 1 15 . 1 1 4 4 SER H H 4 7.675 7.675 8.378 -0.703 25297
751 1 15 . 1 1 5 5 SER HA H 5 4.558 4.558 4.339 0.219 25297
752 1 15 . 1 1 5 5 SER CA C 5 55.200 55.200 56.550 -1.350 25297
753 1 15 . 1 1 5 5 SER H H 5 8.171 8.171 7.806 0.365 25297
754 1 15 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.193 0.176 25297
755 1 15 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.274 -3.674 25297
756 1 15 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.534 -0.001 25297
757 1 15 . 1 1 7 7 TYR CA C 7 53.400 53.400 54.722 -1.322 25297
758 1 15 . 1 1 7 7 TYR H H 7 7.656 7.656 7.037 0.619 25297
759 1 15 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.134 -0.085 25297
760 1 15 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.644 -1.644 25297
761 1 15 . 1 1 8 8 ASN H H 8 8.524 8.524 8.429 0.095 25297
762 1 15 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.643 0.201 25297
763 1 15 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.057 -7.557 25297
764 1 15 . 1 1 9 9 ASP H H 9 8.888 8.888 8.667 0.221 25297
765 1 15 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.418 -0.367 25297
766 1 15 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.591 -1.291 25297
767 1 15 . 1 1 10 10 ILE H H 10 8.230 8.230 7.726 0.504 25297
768 1 15 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.608 -0.086 25297
769 1 15 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.947 -3.147 25297
770 1 15 . 1 1 11 11 LEU H H 11 7.283 7.283 8.036 -0.753 25297
771 1 15 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.336 -3.036 25297
772 1 15 . 1 1 12 12 GLY H H 12 8.394 8.394 8.108 0.286 25297
773 1 15 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.625 0.208 25297
774 1 15 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.046 -3.146 25297
775 1 15 . 1 1 13 13 TYR H H 13 6.984 6.984 7.809 -0.825 25297
776 1 15 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.312 0.000 25297
777 1 15 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.681 -1.681 25297
778 1 15 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.543 -0.346 25297
779 1 15 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.258 -0.458 25297
780 1 15 . 1 1 15 15 ALA H H 15 8.566 8.566 8.894 -0.328 25297
781 1 15 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.623 -0.064 25297
782 1 15 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.850 -1.450 25297
783 1 15 . 1 1 16 16 LEU H H 16 8.202 8.202 8.528 -0.326 25297
784 1 15 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.968 0.268 25297
785 1 15 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.374 -3.474 25297
786 1 15 . 1 1 17 17 ILE H H 17 7.656 7.656 7.726 -0.070 25297
787 1 15 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.780 0.411 25297
788 1 15 . 1 1 18 18 VAL CA C 18 58.700 58.700 64.493 -5.793 25297
789 1 15 . 1 1 18 18 VAL H H 18 8.329 8.329 7.720 0.609 25297
790 1 15 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.057 0.193 25297
791 1 15 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.672 -3.873 25297
792 1 15 . 1 1 19 19 ILE H H 19 8.058 8.058 7.442 0.616 25297
793 1 15 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.076 -0.306 25297
794 1 15 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.744 -0.944 25297
795 1 15 . 1 1 20 20 TYR H H 20 8.154 8.154 7.358 0.796 25297
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 25297
2 1 1 "Average Difference" HA 21 0.285 0.055 0.287 25297
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25297
4 1 1 "Average Difference" CA 19 3.075 2.755 1.404 25297
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25297
6 1 1 "Average Difference" HN 17 0.538 -0.004 0.554 25297
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25297
8 1 2 "Average Difference" HA 21 0.332 -0.029 0.339 25297
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25297
10 1 2 "Average Difference" CA 19 3.648 3.263 1.676 25297
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25297
12 1 2 "Average Difference" HN 17 0.553 -0.052 0.568 25297
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25297
14 1 3 "Average Difference" HA 21 0.309 0.003 0.317 25297
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25297
16 1 3 "Average Difference" CA 19 3.297 3.014 1.375 25297
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25297
18 1 3 "Average Difference" HN 17 0.524 0.033 0.539 25297
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25297
20 1 4 "Average Difference" HA 21 0.294 -0.047 0.298 25297
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25297
22 1 4 "Average Difference" CA 19 3.261 2.913 1.506 25297
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25297
24 1 4 "Average Difference" HN 17 0.583 -0.129 0.586 25297
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25297
26 1 5 "Average Difference" HA 21 0.323 0.042 0.329 25297
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25297
28 1 5 "Average Difference" CA 19 3.196 2.873 1.437 25297
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25297
30 1 5 "Average Difference" HN 17 0.611 -0.013 0.630 25297
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25297
32 1 6 "Average Difference" HA 21 0.321 0.089 0.316 25297
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25297
34 1 6 "Average Difference" CA 19 3.275 2.799 1.748 25297
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25297
36 1 6 "Average Difference" HN 17 0.500 0.134 0.497 25297
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25297
38 1 7 "Average Difference" HA 21 0.293 -0.022 0.299 25297
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25297
40 1 7 "Average Difference" CA 19 3.226 2.906 1.438 25297
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25297
42 1 7 "Average Difference" HN 17 0.515 -0.054 0.528 25297
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25297
44 1 8 "Average Difference" HA 21 0.322 0.028 0.329 25297
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25297
46 1 8 "Average Difference" CA 19 3.430 3.016 1.678 25297
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25297
48 1 8 "Average Difference" HN 17 0.569 0.020 0.587 25297
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25297
50 1 9 "Average Difference" HA 21 0.297 0.015 0.304 25297
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25297
52 1 9 "Average Difference" CA 19 3.289 2.980 1.430 25297
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25297
54 1 9 "Average Difference" HN 17 0.544 -0.010 0.561 25297
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25297
56 1 10 "Average Difference" HA 21 0.299 0.047 0.303 25297
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25297
58 1 10 "Average Difference" CA 19 3.071 2.763 1.377 25297
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25297
60 1 10 "Average Difference" HN 17 0.636 -0.058 0.653 25297
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25297
62 1 11 "Average Difference" HA 21 0.303 0.053 0.305 25297
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25297
64 1 11 "Average Difference" CA 19 3.200 2.781 1.626 25297
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25297
66 1 11 "Average Difference" HN 17 0.502 0.125 0.501 25297
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25297
68 1 12 "Average Difference" HA 21 0.311 0.039 0.316 25297
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25297
70 1 12 "Average Difference" CA 19 3.420 3.062 1.566 25297
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25297
72 1 12 "Average Difference" HN 17 0.563 0.042 0.579 25297
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25297
74 1 13 "Average Difference" HA 21 0.300 0.004 0.308 25297
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25297
76 1 13 "Average Difference" CA 19 3.232 2.905 1.457 25297
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25297
78 1 13 "Average Difference" HN 17 0.584 -0.011 0.602 25297
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25297
80 1 14 "Average Difference" HA 21 0.318 0.087 0.313 25297
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25297
82 1 14 "Average Difference" CA 19 3.157 2.714 1.657 25297
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25297
84 1 14 "Average Difference" HN 17 0.469 0.104 0.471 25297
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25297
86 1 15 "Average Difference" HA 21 0.305 -0.019 0.312 25297
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25297
88 1 15 "Average Difference" CA 19 3.211 2.701 1.783 25297
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25297
90 1 15 "Average Difference" HN 17 0.556 -0.085 0.567 25297
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 25297
_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 LEU HA H 2 3.737 3.737 4.027 -0.290 25297
2 1 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.902 -1.302 25297
3 1 . 1 1 2 2 LEU H H 2 8.056 8.056 8.643 -0.587 25297
4 1 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.652 -3.052 25297
5 1 . 1 1 3 3 GLY H H 3 8.323 8.323 7.655 0.668 25297
6 1 . 1 1 4 4 SER HA H 4 4.558 4.558 4.571 -0.013 25297
7 1 . 1 1 4 4 SER CA C 4 54.500 54.500 58.363 -3.863 25297
8 1 . 1 1 4 4 SER H H 4 7.675 7.675 8.435 -0.760 25297
9 1 . 1 1 5 5 SER HA H 5 4.558 4.558 4.533 0.025 25297
10 1 . 1 1 5 5 SER CA C 5 55.200 55.200 57.211 -2.011 25297
11 1 . 1 1 5 5 SER H H 5 8.171 8.171 7.991 0.180 25297
12 1 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.259 0.110 25297
13 1 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.939 -3.339 25297
14 1 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.550 -0.017 25297
15 1 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.963 -3.563 25297
16 1 . 1 1 7 7 TYR H H 7 7.656 7.656 7.602 0.054 25297
17 1 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.212 -0.163 25297
18 1 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.132 -2.132 25297
19 1 . 1 1 8 8 ASN H H 8 8.524 8.524 8.489 0.035 25297
20 1 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.694 0.150 25297
21 1 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.475 -6.975 25297
22 1 . 1 1 9 9 ASP H H 9 8.888 8.888 8.544 0.344 25297
23 1 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.270 -0.219 25297
24 1 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.710 -1.410 25297
25 1 . 1 1 10 10 ILE H H 10 8.230 8.230 7.886 0.344 25297
26 1 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.496 0.026 25297
27 1 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.123 -3.323 25297
28 1 . 1 1 11 11 LEU H H 11 7.283 7.283 7.954 -0.671 25297
29 1 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.343 -3.043 25297
30 1 . 1 1 12 12 GLY H H 12 8.394 8.394 7.899 0.495 25297
31 1 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.576 0.257 25297
32 1 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.248 -3.348 25297
33 1 . 1 1 13 13 TYR H H 13 6.984 6.984 7.843 -0.859 25297
34 1 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.404 -0.092 25297
35 1 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.717 -1.717 25297
36 1 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.623 -0.426 25297
37 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.417 -0.617 25297
38 1 . 1 1 15 15 ALA H H 15 8.566 8.566 9.028 -0.462 25297
39 1 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.696 -0.137 25297
40 1 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.142 -1.742 25297
41 1 . 1 1 16 16 LEU H H 16 8.202 8.202 8.529 -0.327 25297
42 1 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.137 0.099 25297
43 1 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.563 -3.663 25297
44 1 . 1 1 17 17 ILE H H 17 7.656 7.656 7.700 -0.044 25297
45 1 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.065 0.126 25297
46 1 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.326 -3.626 25297
47 1 . 1 1 18 18 VAL H H 18 8.329 8.329 7.726 0.603 25297
48 1 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.057 0.193 25297
49 1 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.021 -4.221 25297
50 1 . 1 1 19 19 ILE H H 19 8.058 8.058 7.876 0.182 25297
51 1 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.832 -0.062 25297
52 1 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.883 -2.083 25297
53 1 . 1 1 20 20 TYR H H 20 8.154 8.154 7.396 0.758 25297
stop_
save_