data_25704
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25704
_Entry.PDB_ID 2N5C
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 25704
_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 PHE N N 2 108.900 108.900 122.598 -13.698 25704
2 1 1 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.412 -1.642 25704
3 1 1 . 1 1 2 2 PHE C C 2 170.630 170.630 174.903 -4.273 25704
4 1 1 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.018 -0.288 25704
5 1 1 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.526 -7.726 25704
6 1 1 . 1 1 2 2 PHE H H 2 8.550 8.550 8.648 -0.098 25704
7 1 1 . 1 1 3 3 GLY N N 3 103.960 103.960 113.723 -9.763 25704
8 1 1 . 1 1 3 3 GLY C C 3 167.560 167.560 172.406 -4.846 25704
9 1 1 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.267 -1.637 25704
10 1 1 . 1 1 3 3 GLY H H 3 7.740 7.740 7.872 -0.132 25704
11 1 1 . 1 1 4 4 SER N N 4 112.710 112.710 115.198 -2.488 25704
12 1 1 . 1 1 4 4 SER HA H 4 4.410 4.410 4.575 -0.165 25704
13 1 1 . 1 1 4 4 SER C C 4 169.300 169.300 173.559 -4.259 25704
14 1 1 . 1 1 4 4 SER CA C 4 55.710 55.710 58.317 -2.607 25704
15 1 1 . 1 1 4 4 SER CB C 4 62.800 62.800 62.855 -0.055 25704
16 1 1 . 1 1 4 4 SER H H 4 7.410 7.410 8.811 -1.401 25704
17 1 1 . 1 1 5 5 LYS N N 5 121.230 121.230 123.388 -2.158 25704
18 1 1 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.688 0.222 25704
19 1 1 . 1 1 5 5 LYS C C 5 171.240 171.240 174.028 -2.788 25704
20 1 1 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.739 -4.239 25704
21 1 1 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.701 -2.151 25704
22 1 1 . 1 1 5 5 LYS H H 5 8.720 8.720 7.605 1.115 25704
23 1 1 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.469 -0.299 25704
24 1 1 . 1 1 6 6 PRO C C 6 171.660 171.660 176.612 -4.952 25704
25 1 1 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.475 -4.705 25704
26 1 1 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.050 -3.020 25704
27 1 1 . 1 1 7 7 LEU N N 7 118.170 118.170 118.385 -0.215 25704
28 1 1 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.511 0.039 25704
29 1 1 . 1 1 7 7 LEU C C 7 170.700 170.700 177.642 -6.942 25704
30 1 1 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.982 -2.332 25704
31 1 1 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.858 1.911 25704
32 1 1 . 1 1 7 7 LEU H H 7 6.700 6.700 8.327 -1.627 25704
33 1 1 . 1 1 8 8 ASP N N 8 117.880 117.880 120.949 -3.069 25704
34 1 1 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.901 -0.281 25704
35 1 1 . 1 1 8 8 ASP C C 8 170.810 170.810 176.285 -5.475 25704
36 1 1 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.208 -4.148 25704
37 1 1 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.350 -7.230 25704
38 1 1 . 1 1 8 8 ASP H H 8 8.960 8.960 8.087 0.873 25704
39 1 1 . 1 1 9 9 SER N N 9 111.550 111.550 117.359 -5.809 25704
40 1 1 . 1 1 9 9 SER HA H 9 3.760 3.760 4.407 -0.647 25704
41 1 1 . 1 1 9 9 SER C C 9 168.880 168.880 174.740 -5.860 25704
42 1 1 . 1 1 9 9 SER CA C 9 59.940 59.940 60.386 -0.446 25704
43 1 1 . 1 1 9 9 SER CB C 9 60.530 60.530 63.564 -3.034 25704
44 1 1 . 1 1 9 9 SER H H 9 8.340 8.340 8.611 -0.271 25704
45 1 1 . 1 1 10 10 PHE N N 10 112.500 112.500 120.856 -8.356 25704
46 1 1 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.814 -0.304 25704
47 1 1 . 1 1 10 10 PHE C C 10 170.450 170.450 175.008 -4.558 25704
48 1 1 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.194 -3.715 25704
49 1 1 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.094 -0.884 25704
50 1 1 . 1 1 10 10 PHE H H 10 8.870 8.870 7.969 0.901 25704
51 1 1 . 1 1 11 11 GLY N N 11 104.020 104.020 110.172 -6.152 25704
52 1 1 . 1 1 11 11 GLY C C 11 168.060 168.060 172.773 -4.713 25704
53 1 1 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.375 -2.965 25704
54 1 1 . 1 1 11 11 GLY H H 11 7.240 7.240 8.119 -0.879 25704
55 1 1 . 1 1 12 12 LEU N N 12 124.050 124.050 122.632 1.418 25704
56 1 1 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.707 -0.847 25704
57 1 1 . 1 1 12 12 LEU C C 12 171.980 171.980 175.734 -3.754 25704
58 1 1 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.338 -0.938 25704
59 1 1 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.691 -7.761 25704
60 1 1 . 1 1 12 12 LEU H H 12 8.660 8.660 7.836 0.824 25704
61 1 1 . 1 1 13 13 ASN N N 13 118.620 118.620 121.435 -2.815 25704
62 1 1 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.896 0.174 25704
63 1 1 . 1 1 13 13 ASN C C 13 172.810 172.810 175.184 -2.374 25704
64 1 1 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.567 -3.907 25704
65 1 1 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.796 -0.016 25704
66 1 1 . 1 1 13 13 ASN H H 13 9.640 9.640 8.515 1.125 25704
67 1 1 . 1 1 14 14 PHE N N 14 117.930 117.930 118.360 -0.430 25704
68 1 1 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.723 0.007 25704
69 1 1 . 1 1 14 14 PHE C C 14 167.230 167.230 175.303 -8.073 25704
70 1 1 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.649 -2.729 25704
71 1 1 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.723 -3.893 25704
72 1 1 . 1 1 14 14 PHE H H 14 6.860 6.860 8.365 -1.505 25704
73 1 2 . 1 1 2 2 PHE N N 2 108.900 108.900 120.758 -11.858 25704
74 1 2 . 1 1 2 2 PHE HA H 2 3.770 3.770 4.842 -1.072 25704
75 1 2 . 1 1 2 2 PHE C C 2 170.630 170.630 173.751 -3.121 25704
76 1 2 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.846 -1.116 25704
77 1 2 . 1 1 2 2 PHE CB C 2 33.800 33.800 42.193 -8.393 25704
78 1 2 . 1 1 2 2 PHE H H 2 8.550 8.550 8.123 0.427 25704
79 1 2 . 1 1 3 3 GLY N N 3 103.960 103.960 111.188 -7.228 25704
80 1 2 . 1 1 3 3 GLY C C 3 167.560 167.560 172.951 -5.391 25704
81 1 2 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.071 -1.441 25704
82 1 2 . 1 1 3 3 GLY H H 3 7.740 7.740 7.268 0.472 25704
83 1 2 . 1 1 4 4 SER N N 4 112.710 112.710 114.482 -1.772 25704
84 1 2 . 1 1 4 4 SER HA H 4 4.410 4.410 4.626 -0.216 25704
85 1 2 . 1 1 4 4 SER C C 4 169.300 169.300 174.374 -5.074 25704
86 1 2 . 1 1 4 4 SER CA C 4 55.710 55.710 58.025 -2.314 25704
87 1 2 . 1 1 4 4 SER CB C 4 62.800 62.800 64.392 -1.592 25704
88 1 2 . 1 1 4 4 SER H H 4 7.410 7.410 8.503 -1.093 25704
89 1 2 . 1 1 5 5 LYS N N 5 121.230 121.230 123.729 -2.499 25704
90 1 2 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.829 0.081 25704
91 1 2 . 1 1 5 5 LYS C C 5 171.240 171.240 174.596 -3.356 25704
92 1 2 . 1 1 5 5 LYS CA C 5 49.500 49.500 52.956 -3.456 25704
93 1 2 . 1 1 5 5 LYS CB C 5 32.550 32.550 33.035 -0.485 25704
94 1 2 . 1 1 5 5 LYS H H 5 8.720 8.720 7.790 0.930 25704
95 1 2 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.389 -0.219 25704
96 1 2 . 1 1 6 6 PRO C C 6 171.660 171.660 176.897 -5.237 25704
97 1 2 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.485 -4.715 25704
98 1 2 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.138 -3.107 25704
99 1 2 . 1 1 7 7 LEU N N 7 118.170 118.170 118.775 -0.605 25704
100 1 2 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.272 0.278 25704
101 1 2 . 1 1 7 7 LEU C C 7 170.700 170.700 177.525 -6.825 25704
102 1 2 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.404 -1.754 25704
103 1 2 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.645 2.125 25704
104 1 2 . 1 1 7 7 LEU H H 7 6.700 6.700 8.344 -1.644 25704
105 1 2 . 1 1 8 8 ASP N N 8 117.880 117.880 123.665 -5.785 25704
106 1 2 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.833 -0.213 25704
107 1 2 . 1 1 8 8 ASP C C 8 170.810 170.810 176.409 -5.599 25704
108 1 2 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.555 -3.495 25704
109 1 2 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.853 -7.733 25704
110 1 2 . 1 1 8 8 ASP H H 8 8.960 8.960 8.315 0.645 25704
111 1 2 . 1 1 9 9 SER N N 9 111.550 111.550 116.701 -5.151 25704
112 1 2 . 1 1 9 9 SER HA H 9 3.760 3.760 4.351 -0.591 25704
113 1 2 . 1 1 9 9 SER C C 9 168.880 168.880 174.378 -5.498 25704
114 1 2 . 1 1 9 9 SER CA C 9 59.940 59.940 60.502 -0.562 25704
115 1 2 . 1 1 9 9 SER CB C 9 60.530 60.530 63.587 -3.057 25704
116 1 2 . 1 1 9 9 SER H H 9 8.340 8.340 8.825 -0.485 25704
117 1 2 . 1 1 10 10 PHE N N 10 112.500 112.500 121.694 -9.194 25704
118 1 2 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.614 -0.104 25704
119 1 2 . 1 1 10 10 PHE C C 10 170.450 170.450 174.895 -4.445 25704
120 1 2 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.276 -3.796 25704
121 1 2 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.916 -1.706 25704
122 1 2 . 1 1 10 10 PHE H H 10 8.870 8.870 8.070 0.800 25704
123 1 2 . 1 1 11 11 GLY N N 11 104.020 104.020 113.757 -9.737 25704
124 1 2 . 1 1 11 11 GLY C C 11 168.060 168.060 173.113 -5.053 25704
125 1 2 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.415 -3.005 25704
126 1 2 . 1 1 11 11 GLY H H 11 7.240 7.240 8.046 -0.806 25704
127 1 2 . 1 1 12 12 LEU N N 12 124.050 124.050 122.403 1.647 25704
128 1 2 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.487 -0.627 25704
129 1 2 . 1 1 12 12 LEU C C 12 171.980 171.980 174.831 -2.851 25704
130 1 2 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.237 -0.837 25704
131 1 2 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.411 -8.481 25704
132 1 2 . 1 1 12 12 LEU H H 12 8.660 8.660 7.893 0.767 25704
133 1 2 . 1 1 13 13 ASN N N 13 118.620 118.620 117.871 0.749 25704
134 1 2 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.932 0.138 25704
135 1 2 . 1 1 13 13 ASN C C 13 172.810 172.810 175.326 -2.516 25704
136 1 2 . 1 1 13 13 ASN CA C 13 49.660 49.660 51.539 -1.879 25704
137 1 2 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.643 0.137 25704
138 1 2 . 1 1 13 13 ASN H H 13 9.640 9.640 8.082 1.558 25704
139 1 2 . 1 1 14 14 PHE N N 14 117.930 117.930 119.179 -1.249 25704
140 1 2 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.587 0.143 25704
141 1 2 . 1 1 14 14 PHE C C 14 167.230 167.230 174.571 -7.341 25704
142 1 2 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.918 -2.998 25704
143 1 2 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.678 -3.849 25704
144 1 2 . 1 1 14 14 PHE H H 14 6.860 6.860 7.976 -1.116 25704
145 1 3 . 1 1 2 2 PHE N N 2 108.900 108.900 121.770 -12.870 25704
146 1 3 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.307 -1.537 25704
147 1 3 . 1 1 2 2 PHE C C 2 170.630 170.630 174.369 -3.739 25704
148 1 3 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.189 -0.459 25704
149 1 3 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.446 -7.646 25704
150 1 3 . 1 1 2 2 PHE H H 2 8.550 8.550 8.727 -0.177 25704
151 1 3 . 1 1 3 3 GLY N N 3 103.960 103.960 112.080 -8.120 25704
152 1 3 . 1 1 3 3 GLY C C 3 167.560 167.560 172.071 -4.511 25704
153 1 3 . 1 1 3 3 GLY CA C 3 43.630 43.630 44.988 -1.358 25704
154 1 3 . 1 1 3 3 GLY H H 3 7.740 7.740 7.674 0.066 25704
155 1 3 . 1 1 4 4 SER N N 4 112.710 112.710 115.382 -2.672 25704
156 1 3 . 1 1 4 4 SER HA H 4 4.410 4.410 4.584 -0.174 25704
157 1 3 . 1 1 4 4 SER C C 4 169.300 169.300 173.563 -4.263 25704
158 1 3 . 1 1 4 4 SER CA C 4 55.710 55.710 58.314 -2.604 25704
159 1 3 . 1 1 4 4 SER CB C 4 62.800 62.800 63.647 -0.847 25704
160 1 3 . 1 1 4 4 SER H H 4 7.410 7.410 8.508 -1.098 25704
161 1 3 . 1 1 5 5 LYS N N 5 121.230 121.230 124.249 -3.019 25704
162 1 3 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.489 0.421 25704
163 1 3 . 1 1 5 5 LYS C C 5 171.240 171.240 173.653 -2.413 25704
164 1 3 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.104 -4.604 25704
165 1 3 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.041 -1.491 25704
166 1 3 . 1 1 5 5 LYS H H 5 8.720 8.720 8.037 0.683 25704
167 1 3 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.440 -0.270 25704
168 1 3 . 1 1 6 6 PRO C C 6 171.660 171.660 176.580 -4.920 25704
169 1 3 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.430 -4.660 25704
170 1 3 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.195 -3.165 25704
171 1 3 . 1 1 7 7 LEU N N 7 118.170 118.170 118.293 -0.123 25704
172 1 3 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.213 0.337 25704
173 1 3 . 1 1 7 7 LEU C C 7 170.700 170.700 177.549 -6.849 25704
174 1 3 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.789 -2.139 25704
175 1 3 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.882 1.888 25704
176 1 3 . 1 1 7 7 LEU H H 7 6.700 6.700 8.323 -1.623 25704
177 1 3 . 1 1 8 8 ASP N N 8 117.880 117.880 122.730 -4.850 25704
178 1 3 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.842 -0.222 25704
179 1 3 . 1 1 8 8 ASP C C 8 170.810 170.810 176.559 -5.749 25704
180 1 3 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.697 -3.637 25704
181 1 3 . 1 1 8 8 ASP CB C 8 36.120 36.120 42.623 -6.503 25704
182 1 3 . 1 1 8 8 ASP H H 8 8.960 8.960 8.289 0.671 25704
183 1 3 . 1 1 9 9 SER N N 9 111.550 111.550 114.631 -3.081 25704
184 1 3 . 1 1 9 9 SER HA H 9 3.760 3.760 4.384 -0.624 25704
185 1 3 . 1 1 9 9 SER C C 9 168.880 168.880 174.608 -5.728 25704
186 1 3 . 1 1 9 9 SER CA C 9 59.940 59.940 60.213 -0.273 25704
187 1 3 . 1 1 9 9 SER CB C 9 60.530 60.530 63.827 -3.297 25704
188 1 3 . 1 1 9 9 SER H H 9 8.340 8.340 8.354 -0.014 25704
189 1 3 . 1 1 10 10 PHE N N 10 112.500 112.500 120.908 -8.408 25704
190 1 3 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.671 -0.161 25704
191 1 3 . 1 1 10 10 PHE C C 10 170.450 170.450 174.651 -4.201 25704
192 1 3 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.907 -4.427 25704
193 1 3 . 1 1 10 10 PHE CB C 10 38.210 38.210 40.596 -2.386 25704
194 1 3 . 1 1 10 10 PHE H H 10 8.870 8.870 7.718 1.152 25704
195 1 3 . 1 1 11 11 GLY N N 11 104.020 104.020 114.159 -10.139 25704
196 1 3 . 1 1 11 11 GLY C C 11 168.060 168.060 172.544 -4.484 25704
197 1 3 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.561 -2.151 25704
198 1 3 . 1 1 11 11 GLY H H 11 7.240 7.240 7.754 -0.514 25704
199 1 3 . 1 1 12 12 LEU N N 12 124.050 124.050 121.219 2.831 25704
200 1 3 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.529 -0.669 25704
201 1 3 . 1 1 12 12 LEU C C 12 171.980 171.980 176.452 -4.472 25704
202 1 3 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.156 -0.756 25704
203 1 3 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.146 -7.216 25704
204 1 3 . 1 1 12 12 LEU H H 12 8.660 8.660 8.198 0.462 25704
205 1 3 . 1 1 13 13 ASN N N 13 118.620 118.620 120.302 -1.682 25704
206 1 3 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.801 0.269 25704
207 1 3 . 1 1 13 13 ASN C C 13 172.810 172.810 175.508 -2.698 25704
208 1 3 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.224 -3.564 25704
209 1 3 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.021 0.759 25704
210 1 3 . 1 1 13 13 ASN H H 13 9.640 9.640 8.527 1.113 25704
211 1 3 . 1 1 14 14 PHE N N 14 117.930 117.930 121.073 -3.143 25704
212 1 3 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.742 -0.012 25704
213 1 3 . 1 1 14 14 PHE C C 14 167.230 167.230 174.659 -7.429 25704
214 1 3 . 1 1 14 14 PHE CA C 14 54.920 54.920 58.139 -3.219 25704
215 1 3 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.578 -3.748 25704
216 1 3 . 1 1 14 14 PHE H H 14 6.860 6.860 8.403 -1.543 25704
217 1 4 . 1 1 2 2 PHE N N 2 108.900 108.900 123.586 -14.686 25704
218 1 4 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.223 -1.453 25704
219 1 4 . 1 1 2 2 PHE C C 2 170.630 170.630 174.796 -4.166 25704
220 1 4 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.137 -0.407 25704
221 1 4 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.168 -7.368 25704
222 1 4 . 1 1 2 2 PHE H H 2 8.550 8.550 8.606 -0.056 25704
223 1 4 . 1 1 3 3 GLY N N 3 103.960 103.960 114.427 -10.467 25704
224 1 4 . 1 1 3 3 GLY C C 3 167.560 167.560 172.393 -4.833 25704
225 1 4 . 1 1 3 3 GLY CA C 3 43.630 43.630 44.600 -0.970 25704
226 1 4 . 1 1 3 3 GLY H H 3 7.740 7.740 7.698 0.042 25704
227 1 4 . 1 1 4 4 SER N N 4 112.710 112.710 115.027 -2.317 25704
228 1 4 . 1 1 4 4 SER HA H 4 4.410 4.410 4.606 -0.196 25704
229 1 4 . 1 1 4 4 SER C C 4 169.300 169.300 173.876 -4.576 25704
230 1 4 . 1 1 4 4 SER CA C 4 55.710 55.710 58.182 -2.472 25704
231 1 4 . 1 1 4 4 SER CB C 4 62.800 62.800 62.789 0.011 25704
232 1 4 . 1 1 4 4 SER H H 4 7.410 7.410 8.517 -1.107 25704
233 1 4 . 1 1 5 5 LYS N N 5 121.230 121.230 123.881 -2.651 25704
234 1 4 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.520 0.390 25704
235 1 4 . 1 1 5 5 LYS C C 5 171.240 171.240 173.926 -2.686 25704
236 1 4 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.307 -4.807 25704
237 1 4 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.236 -1.686 25704
238 1 4 . 1 1 5 5 LYS H H 5 8.720 8.720 7.778 0.942 25704
239 1 4 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.451 -0.281 25704
240 1 4 . 1 1 6 6 PRO C C 6 171.660 171.660 176.723 -5.063 25704
241 1 4 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.500 -4.730 25704
242 1 4 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.046 -3.016 25704
243 1 4 . 1 1 7 7 LEU N N 7 118.170 118.170 118.439 -0.269 25704
244 1 4 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.465 0.085 25704
245 1 4 . 1 1 7 7 LEU C C 7 170.700 170.700 177.658 -6.958 25704
246 1 4 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.976 -2.326 25704
247 1 4 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.734 2.036 25704
248 1 4 . 1 1 7 7 LEU H H 7 6.700 6.700 8.339 -1.639 25704
249 1 4 . 1 1 8 8 ASP N N 8 117.880 117.880 121.926 -4.046 25704
250 1 4 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.867 -0.247 25704
251 1 4 . 1 1 8 8 ASP C C 8 170.810 170.810 176.072 -5.262 25704
252 1 4 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.361 -4.301 25704
253 1 4 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.197 -7.077 25704
254 1 4 . 1 1 8 8 ASP H H 8 8.960 8.960 8.101 0.859 25704
255 1 4 . 1 1 9 9 SER N N 9 111.550 111.550 116.596 -5.046 25704
256 1 4 . 1 1 9 9 SER HA H 9 3.760 3.760 4.387 -0.627 25704
257 1 4 . 1 1 9 9 SER C C 9 168.880 168.880 174.921 -6.041 25704
258 1 4 . 1 1 9 9 SER CA C 9 59.940 59.940 60.487 -0.548 25704
259 1 4 . 1 1 9 9 SER CB C 9 60.530 60.530 63.453 -2.923 25704
260 1 4 . 1 1 9 9 SER H H 9 8.340 8.340 8.542 -0.202 25704
261 1 4 . 1 1 10 10 PHE N N 10 112.500 112.500 120.613 -8.113 25704
262 1 4 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.780 -0.270 25704
263 1 4 . 1 1 10 10 PHE C C 10 170.450 170.450 174.945 -4.495 25704
264 1 4 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.337 -3.857 25704
265 1 4 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.341 -1.131 25704
266 1 4 . 1 1 10 10 PHE H H 10 8.870 8.870 8.055 0.815 25704
267 1 4 . 1 1 11 11 GLY N N 11 104.020 104.020 110.362 -6.342 25704
268 1 4 . 1 1 11 11 GLY C C 11 168.060 168.060 172.951 -4.891 25704
269 1 4 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.341 -2.931 25704
270 1 4 . 1 1 11 11 GLY H H 11 7.240 7.240 8.053 -0.813 25704
271 1 4 . 1 1 12 12 LEU N N 12 124.050 124.050 122.388 1.662 25704
272 1 4 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.714 -0.854 25704
273 1 4 . 1 1 12 12 LEU C C 12 171.980 171.980 175.559 -3.579 25704
274 1 4 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.247 -0.847 25704
275 1 4 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.441 -8.511 25704
276 1 4 . 1 1 12 12 LEU H H 12 8.660 8.660 7.776 0.884 25704
277 1 4 . 1 1 13 13 ASN N N 13 118.620 118.620 121.421 -2.801 25704
278 1 4 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.832 0.238 25704
279 1 4 . 1 1 13 13 ASN C C 13 172.810 172.810 174.620 -1.810 25704
280 1 4 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.622 -3.962 25704
281 1 4 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.300 0.480 25704
282 1 4 . 1 1 13 13 ASN H H 13 9.640 9.640 8.589 1.051 25704
283 1 4 . 1 1 14 14 PHE N N 14 117.930 117.930 120.672 -2.742 25704
284 1 4 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.743 -0.013 25704
285 1 4 . 1 1 14 14 PHE C C 14 167.230 167.230 173.642 -6.412 25704
286 1 4 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.181 -2.261 25704
287 1 4 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.983 -4.154 25704
288 1 4 . 1 1 14 14 PHE H H 14 6.860 6.860 8.265 -1.405 25704
289 1 5 . 1 1 2 2 PHE N N 2 108.900 108.900 123.457 -14.557 25704
290 1 5 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.169 -1.399 25704
291 1 5 . 1 1 2 2 PHE C C 2 170.630 170.630 174.850 -4.220 25704
292 1 5 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.114 -0.384 25704
293 1 5 . 1 1 2 2 PHE CB C 2 33.800 33.800 40.731 -6.931 25704
294 1 5 . 1 1 2 2 PHE H H 2 8.550 8.550 8.672 -0.122 25704
295 1 5 . 1 1 3 3 GLY N N 3 103.960 103.960 113.739 -9.779 25704
296 1 5 . 1 1 3 3 GLY C C 3 167.560 167.560 172.466 -4.906 25704
297 1 5 . 1 1 3 3 GLY CA C 3 43.630 43.630 44.485 -0.855 25704
298 1 5 . 1 1 3 3 GLY H H 3 7.740 7.740 7.970 -0.230 25704
299 1 5 . 1 1 4 4 SER N N 4 112.710 112.710 115.005 -2.295 25704
300 1 5 . 1 1 4 4 SER HA H 4 4.410 4.410 4.600 -0.190 25704
301 1 5 . 1 1 4 4 SER C C 4 169.300 169.300 173.897 -4.597 25704
302 1 5 . 1 1 4 4 SER CA C 4 55.710 55.710 58.274 -2.564 25704
303 1 5 . 1 1 4 4 SER CB C 4 62.800 62.800 62.743 0.057 25704
304 1 5 . 1 1 4 4 SER H H 4 7.410 7.410 8.539 -1.129 25704
305 1 5 . 1 1 5 5 LYS N N 5 121.230 121.230 123.870 -2.640 25704
306 1 5 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.529 0.381 25704
307 1 5 . 1 1 5 5 LYS C C 5 171.240 171.240 173.956 -2.716 25704
308 1 5 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.258 -4.758 25704
309 1 5 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.350 -1.800 25704
310 1 5 . 1 1 5 5 LYS H H 5 8.720 8.720 7.745 0.975 25704
311 1 5 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.445 -0.275 25704
312 1 5 . 1 1 6 6 PRO C C 6 171.660 171.660 176.738 -5.078 25704
313 1 5 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.495 -4.725 25704
314 1 5 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.050 -3.021 25704
315 1 5 . 1 1 7 7 LEU N N 7 118.170 118.170 118.435 -0.265 25704
316 1 5 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.456 0.094 25704
317 1 5 . 1 1 7 7 LEU C C 7 170.700 170.700 177.673 -6.973 25704
318 1 5 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.980 -2.330 25704
319 1 5 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.721 2.049 25704
320 1 5 . 1 1 7 7 LEU H H 7 6.700 6.700 8.330 -1.630 25704
321 1 5 . 1 1 8 8 ASP N N 8 117.880 117.880 121.216 -3.336 25704
322 1 5 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.904 -0.284 25704
323 1 5 . 1 1 8 8 ASP C C 8 170.810 170.810 176.278 -5.468 25704
324 1 5 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.370 -4.310 25704
325 1 5 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.451 -7.331 25704
326 1 5 . 1 1 8 8 ASP H H 8 8.960 8.960 8.123 0.837 25704
327 1 5 . 1 1 9 9 SER N N 9 111.550 111.550 117.346 -5.796 25704
328 1 5 . 1 1 9 9 SER HA H 9 3.760 3.760 4.370 -0.610 25704
329 1 5 . 1 1 9 9 SER C C 9 168.880 168.880 174.843 -5.963 25704
330 1 5 . 1 1 9 9 SER CA C 9 59.940 59.940 60.581 -0.641 25704
331 1 5 . 1 1 9 9 SER CB C 9 60.530 60.530 63.494 -2.964 25704
332 1 5 . 1 1 9 9 SER H H 9 8.340 8.340 8.659 -0.319 25704
333 1 5 . 1 1 10 10 PHE N N 10 112.500 112.500 121.665 -9.165 25704
334 1 5 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.814 -0.304 25704
335 1 5 . 1 1 10 10 PHE C C 10 170.450 170.450 175.018 -4.568 25704
336 1 5 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.316 -3.836 25704
337 1 5 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.217 -1.007 25704
338 1 5 . 1 1 10 10 PHE H H 10 8.870 8.870 8.048 0.822 25704
339 1 5 . 1 1 11 11 GLY N N 11 104.020 104.020 110.385 -6.365 25704
340 1 5 . 1 1 11 11 GLY C C 11 168.060 168.060 172.891 -4.831 25704
341 1 5 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.304 -2.894 25704
342 1 5 . 1 1 11 11 GLY H H 11 7.240 7.240 8.113 -0.873 25704
343 1 5 . 1 1 12 12 LEU N N 12 124.050 124.050 122.394 1.656 25704
344 1 5 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.734 -0.874 25704
345 1 5 . 1 1 12 12 LEU C C 12 171.980 171.980 175.544 -3.564 25704
346 1 5 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.287 -0.887 25704
347 1 5 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.515 -8.585 25704
348 1 5 . 1 1 12 12 LEU H H 12 8.660 8.660 7.864 0.796 25704
349 1 5 . 1 1 13 13 ASN N N 13 118.620 118.620 120.958 -2.338 25704
350 1 5 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.719 0.351 25704
351 1 5 . 1 1 13 13 ASN C C 13 172.810 172.810 174.390 -1.580 25704
352 1 5 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.571 -3.911 25704
353 1 5 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.179 0.601 25704
354 1 5 . 1 1 13 13 ASN H H 13 9.640 9.640 8.561 1.079 25704
355 1 5 . 1 1 14 14 PHE N N 14 117.930 117.930 120.731 -2.801 25704
356 1 5 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.840 -0.110 25704
357 1 5 . 1 1 14 14 PHE C C 14 167.230 167.230 173.991 -6.761 25704
358 1 5 . 1 1 14 14 PHE CA C 14 54.920 54.920 56.670 -1.750 25704
359 1 5 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.838 -4.008 25704
360 1 5 . 1 1 14 14 PHE H H 14 6.860 6.860 8.223 -1.363 25704
361 1 6 . 1 1 2 2 PHE N N 2 108.900 108.900 121.701 -12.801 25704
362 1 6 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.311 -1.541 25704
363 1 6 . 1 1 2 2 PHE C C 2 170.630 170.630 174.918 -4.288 25704
364 1 6 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.201 -0.471 25704
365 1 6 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.703 -7.903 25704
366 1 6 . 1 1 2 2 PHE H H 2 8.550 8.550 8.688 -0.138 25704
367 1 6 . 1 1 3 3 GLY N N 3 103.960 103.960 113.225 -9.265 25704
368 1 6 . 1 1 3 3 GLY C C 3 167.560 167.560 171.964 -4.404 25704
369 1 6 . 1 1 3 3 GLY CA C 3 43.630 43.630 44.956 -1.326 25704
370 1 6 . 1 1 3 3 GLY H H 3 7.740 7.740 7.611 0.129 25704
371 1 6 . 1 1 4 4 SER N N 4 112.710 112.710 115.352 -2.642 25704
372 1 6 . 1 1 4 4 SER HA H 4 4.410 4.410 4.520 -0.110 25704
373 1 6 . 1 1 4 4 SER C C 4 169.300 169.300 173.566 -4.266 25704
374 1 6 . 1 1 4 4 SER CA C 4 55.710 55.710 58.357 -2.647 25704
375 1 6 . 1 1 4 4 SER CB C 4 62.800 62.800 63.538 -0.738 25704
376 1 6 . 1 1 4 4 SER H H 4 7.410 7.410 8.444 -1.034 25704
377 1 6 . 1 1 5 5 LYS N N 5 121.230 121.230 124.344 -3.114 25704
378 1 6 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.477 0.433 25704
379 1 6 . 1 1 5 5 LYS C C 5 171.240 171.240 173.640 -2.400 25704
380 1 6 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.034 -4.534 25704
381 1 6 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.143 -1.593 25704
382 1 6 . 1 1 5 5 LYS H H 5 8.720 8.720 7.912 0.808 25704
383 1 6 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.431 -0.261 25704
384 1 6 . 1 1 6 6 PRO C C 6 171.660 171.660 176.570 -4.910 25704
385 1 6 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.406 -4.636 25704
386 1 6 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.216 -3.186 25704
387 1 6 . 1 1 7 7 LEU N N 7 118.170 118.170 118.610 -0.440 25704
388 1 6 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.153 0.397 25704
389 1 6 . 1 1 7 7 LEU C C 7 170.700 170.700 177.607 -6.907 25704
390 1 6 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.722 -2.072 25704
391 1 6 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.797 1.973 25704
392 1 6 . 1 1 7 7 LEU H H 7 6.700 6.700 8.344 -1.644 25704
393 1 6 . 1 1 8 8 ASP N N 8 117.880 117.880 123.183 -5.303 25704
394 1 6 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.795 -0.175 25704
395 1 6 . 1 1 8 8 ASP C C 8 170.810 170.810 176.687 -5.877 25704
396 1 6 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.130 -4.070 25704
397 1 6 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.084 -6.964 25704
398 1 6 . 1 1 8 8 ASP H H 8 8.960 8.960 8.118 0.842 25704
399 1 6 . 1 1 9 9 SER N N 9 111.550 111.550 113.918 -2.368 25704
400 1 6 . 1 1 9 9 SER HA H 9 3.760 3.760 4.369 -0.609 25704
401 1 6 . 1 1 9 9 SER C C 9 168.880 168.880 174.430 -5.550 25704
402 1 6 . 1 1 9 9 SER CA C 9 59.940 59.940 60.061 -0.121 25704
403 1 6 . 1 1 9 9 SER CB C 9 60.530 60.530 63.818 -3.288 25704
404 1 6 . 1 1 9 9 SER H H 9 8.340 8.340 8.275 0.065 25704
405 1 6 . 1 1 10 10 PHE N N 10 112.500 112.500 121.988 -9.488 25704
406 1 6 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.665 -0.155 25704
407 1 6 . 1 1 10 10 PHE C C 10 170.450 170.450 174.652 -4.202 25704
408 1 6 . 1 1 10 10 PHE CA C 10 53.480 53.480 58.461 -4.981 25704
409 1 6 . 1 1 10 10 PHE CB C 10 38.210 38.210 40.657 -2.447 25704
410 1 6 . 1 1 10 10 PHE H H 10 8.870 8.870 7.663 1.207 25704
411 1 6 . 1 1 11 11 GLY N N 11 104.020 104.020 113.671 -9.651 25704
412 1 6 . 1 1 11 11 GLY C C 11 168.060 168.060 172.588 -4.528 25704
413 1 6 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.481 -2.071 25704
414 1 6 . 1 1 11 11 GLY H H 11 7.240 7.240 7.621 -0.381 25704
415 1 6 . 1 1 12 12 LEU N N 12 124.050 124.050 121.168 2.882 25704
416 1 6 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.586 -0.726 25704
417 1 6 . 1 1 12 12 LEU C C 12 171.980 171.980 176.270 -4.290 25704
418 1 6 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.158 -0.758 25704
419 1 6 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.634 -7.704 25704
420 1 6 . 1 1 12 12 LEU H H 12 8.660 8.660 8.088 0.572 25704
421 1 6 . 1 1 13 13 ASN N N 13 118.620 118.620 120.488 -1.868 25704
422 1 6 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.783 0.287 25704
423 1 6 . 1 1 13 13 ASN C C 13 172.810 172.810 175.963 -3.153 25704
424 1 6 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.263 -3.603 25704
425 1 6 . 1 1 13 13 ASN CB C 13 40.780 40.780 39.916 0.864 25704
426 1 6 . 1 1 13 13 ASN H H 13 9.640 9.640 8.560 1.080 25704
427 1 6 . 1 1 14 14 PHE N N 14 117.930 117.930 121.475 -3.545 25704
428 1 6 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.755 -0.025 25704
429 1 6 . 1 1 14 14 PHE C C 14 167.230 167.230 174.700 -7.470 25704
430 1 6 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.960 -3.040 25704
431 1 6 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.576 -3.746 25704
432 1 6 . 1 1 14 14 PHE H H 14 6.860 6.860 8.200 -1.340 25704
433 1 7 . 1 1 2 2 PHE N N 2 108.900 108.900 120.404 -11.504 25704
434 1 7 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.065 -1.295 25704
435 1 7 . 1 1 2 2 PHE C C 2 170.630 170.630 174.950 -4.320 25704
436 1 7 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.818 -1.088 25704
437 1 7 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.114 -7.314 25704
438 1 7 . 1 1 2 2 PHE H H 2 8.550 8.550 8.629 -0.079 25704
439 1 7 . 1 1 3 3 GLY N N 3 103.960 103.960 111.759 -7.799 25704
440 1 7 . 1 1 3 3 GLY C C 3 167.560 167.560 173.132 -5.572 25704
441 1 7 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.306 -1.676 25704
442 1 7 . 1 1 3 3 GLY H H 3 7.740 7.740 7.074 0.666 25704
443 1 7 . 1 1 4 4 SER N N 4 112.710 112.710 114.032 -1.322 25704
444 1 7 . 1 1 4 4 SER HA H 4 4.410 4.410 4.582 -0.172 25704
445 1 7 . 1 1 4 4 SER C C 4 169.300 169.300 174.773 -5.473 25704
446 1 7 . 1 1 4 4 SER CA C 4 55.710 55.710 58.582 -2.872 25704
447 1 7 . 1 1 4 4 SER CB C 4 62.800 62.800 64.713 -1.913 25704
448 1 7 . 1 1 4 4 SER H H 4 7.410 7.410 8.385 -0.975 25704
449 1 7 . 1 1 5 5 LYS N N 5 121.230 121.230 122.074 -0.844 25704
450 1 7 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.866 0.044 25704
451 1 7 . 1 1 5 5 LYS C C 5 171.240 171.240 173.955 -2.715 25704
452 1 7 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.050 -3.550 25704
453 1 7 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.791 -2.241 25704
454 1 7 . 1 1 5 5 LYS H H 5 8.720 8.720 7.703 1.017 25704
455 1 7 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.375 -0.205 25704
456 1 7 . 1 1 6 6 PRO C C 6 171.660 171.660 176.941 -5.281 25704
457 1 7 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.843 -5.073 25704
458 1 7 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.350 -3.320 25704
459 1 7 . 1 1 7 7 LEU N N 7 118.170 118.170 113.854 4.316 25704
460 1 7 . 1 1 7 7 LEU HA H 7 4.550 4.550 3.995 0.555 25704
461 1 7 . 1 1 7 7 LEU C C 7 170.700 170.700 174.669 -3.969 25704
462 1 7 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.524 -1.874 25704
463 1 7 . 1 1 7 7 LEU CB C 7 43.770 43.770 39.998 3.772 25704
464 1 7 . 1 1 7 7 LEU H H 7 6.700 6.700 8.332 -1.632 25704
465 1 7 . 1 1 8 8 ASP N N 8 117.880 117.880 122.655 -4.775 25704
466 1 7 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.621 -0.001 25704
467 1 7 . 1 1 8 8 ASP C C 8 170.810 170.810 176.587 -5.777 25704
468 1 7 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.332 -4.272 25704
469 1 7 . 1 1 8 8 ASP CB C 8 36.120 36.120 42.729 -6.609 25704
470 1 7 . 1 1 8 8 ASP H H 8 8.960 8.960 7.621 1.339 25704
471 1 7 . 1 1 9 9 SER N N 9 111.550 111.550 116.862 -5.312 25704
472 1 7 . 1 1 9 9 SER HA H 9 3.760 3.760 4.434 -0.674 25704
473 1 7 . 1 1 9 9 SER C C 9 168.880 168.880 174.631 -5.751 25704
474 1 7 . 1 1 9 9 SER CA C 9 59.940 59.940 60.204 -0.264 25704
475 1 7 . 1 1 9 9 SER CB C 9 60.530 60.530 63.269 -2.739 25704
476 1 7 . 1 1 9 9 SER H H 9 8.340 8.340 8.660 -0.320 25704
477 1 7 . 1 1 10 10 PHE N N 10 112.500 112.500 121.522 -9.022 25704
478 1 7 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.706 -0.196 25704
479 1 7 . 1 1 10 10 PHE C C 10 170.450 170.450 175.304 -4.854 25704
480 1 7 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.415 -3.935 25704
481 1 7 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.536 -1.326 25704
482 1 7 . 1 1 10 10 PHE H H 10 8.870 8.870 7.942 0.928 25704
483 1 7 . 1 1 11 11 GLY N N 11 104.020 104.020 108.792 -4.772 25704
484 1 7 . 1 1 11 11 GLY C C 11 168.060 168.060 173.042 -4.982 25704
485 1 7 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.351 -2.941 25704
486 1 7 . 1 1 11 11 GLY H H 11 7.240 7.240 7.896 -0.656 25704
487 1 7 . 1 1 12 12 LEU N N 12 124.050 124.050 120.428 3.622 25704
488 1 7 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.736 -0.876 25704
489 1 7 . 1 1 12 12 LEU C C 12 171.980 171.980 175.711 -3.731 25704
490 1 7 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.336 -0.936 25704
491 1 7 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.679 -7.749 25704
492 1 7 . 1 1 12 12 LEU H H 12 8.660 8.660 8.214 0.446 25704
493 1 7 . 1 1 13 13 ASN N N 13 118.620 118.620 122.213 -3.593 25704
494 1 7 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.451 0.619 25704
495 1 7 . 1 1 13 13 ASN C C 13 172.810 172.810 173.937 -1.127 25704
496 1 7 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.118 -3.458 25704
497 1 7 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.058 0.722 25704
498 1 7 . 1 1 13 13 ASN H H 13 9.640 9.640 8.160 1.480 25704
499 1 7 . 1 1 14 14 PHE N N 14 117.930 117.930 118.900 -0.970 25704
500 1 7 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.875 -0.145 25704
501 1 7 . 1 1 14 14 PHE C C 14 167.230 167.230 174.379 -7.149 25704
502 1 7 . 1 1 14 14 PHE CA C 14 54.920 54.920 55.889 -0.969 25704
503 1 7 . 1 1 14 14 PHE CB C 14 35.830 35.830 40.240 -4.410 25704
504 1 7 . 1 1 14 14 PHE H H 14 6.860 6.860 7.420 -0.560 25704
505 1 8 . 1 1 2 2 PHE N N 2 108.900 108.900 120.885 -11.985 25704
506 1 8 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.037 -1.267 25704
507 1 8 . 1 1 2 2 PHE C C 2 170.630 170.630 173.793 -3.163 25704
508 1 8 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.381 -0.651 25704
509 1 8 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.494 -7.694 25704
510 1 8 . 1 1 2 2 PHE H H 2 8.550 8.550 8.669 -0.119 25704
511 1 8 . 1 1 3 3 GLY N N 3 103.960 103.960 112.883 -8.923 25704
512 1 8 . 1 1 3 3 GLY C C 3 167.560 167.560 173.077 -5.517 25704
513 1 8 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.136 -1.506 25704
514 1 8 . 1 1 3 3 GLY H H 3 7.740 7.740 7.505 0.235 25704
515 1 8 . 1 1 4 4 SER N N 4 112.710 112.710 114.225 -1.515 25704
516 1 8 . 1 1 4 4 SER HA H 4 4.410 4.410 4.383 0.027 25704
517 1 8 . 1 1 4 4 SER C C 4 169.300 169.300 175.255 -5.955 25704
518 1 8 . 1 1 4 4 SER CA C 4 55.710 55.710 58.788 -3.078 25704
519 1 8 . 1 1 4 4 SER CB C 4 62.800 62.800 63.824 -1.024 25704
520 1 8 . 1 1 4 4 SER H H 4 7.410 7.410 8.416 -1.006 25704
521 1 8 . 1 1 5 5 LYS N N 5 121.230 121.230 122.914 -1.684 25704
522 1 8 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.781 0.129 25704
523 1 8 . 1 1 5 5 LYS C C 5 171.240 171.240 174.377 -3.137 25704
524 1 8 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.013 -3.513 25704
525 1 8 . 1 1 5 5 LYS CB C 5 32.550 32.550 33.041 -0.491 25704
526 1 8 . 1 1 5 5 LYS H H 5 8.720 8.720 7.342 1.378 25704
527 1 8 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.358 -0.188 25704
528 1 8 . 1 1 6 6 PRO C C 6 171.660 171.660 176.533 -4.873 25704
529 1 8 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.889 -5.119 25704
530 1 8 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.012 -2.982 25704
531 1 8 . 1 1 7 7 LEU N N 7 118.170 118.170 113.407 4.763 25704
532 1 8 . 1 1 7 7 LEU HA H 7 4.550 4.550 3.905 0.645 25704
533 1 8 . 1 1 7 7 LEU C C 7 170.700 170.700 175.724 -5.024 25704
534 1 8 . 1 1 7 7 LEU CA C 7 53.650 53.650 54.922 -1.272 25704
535 1 8 . 1 1 7 7 LEU CB C 7 43.770 43.770 38.997 4.773 25704
536 1 8 . 1 1 7 7 LEU H H 7 6.700 6.700 8.249 -1.549 25704
537 1 8 . 1 1 8 8 ASP N N 8 117.880 117.880 122.392 -4.512 25704
538 1 8 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.558 0.062 25704
539 1 8 . 1 1 8 8 ASP C C 8 170.810 170.810 177.707 -6.897 25704
540 1 8 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.887 -4.827 25704
541 1 8 . 1 1 8 8 ASP CB C 8 36.120 36.120 42.694 -6.574 25704
542 1 8 . 1 1 8 8 ASP H H 8 8.960 8.960 7.878 1.082 25704
543 1 8 . 1 1 9 9 SER N N 9 111.550 111.550 115.181 -3.631 25704
544 1 8 . 1 1 9 9 SER HA H 9 3.760 3.760 4.357 -0.597 25704
545 1 8 . 1 1 9 9 SER C C 9 168.880 168.880 174.765 -5.885 25704
546 1 8 . 1 1 9 9 SER CA C 9 59.940 59.940 60.444 -0.504 25704
547 1 8 . 1 1 9 9 SER CB C 9 60.530 60.530 63.440 -2.910 25704
548 1 8 . 1 1 9 9 SER H H 9 8.340 8.340 8.525 -0.185 25704
549 1 8 . 1 1 10 10 PHE N N 10 112.500 112.500 119.570 -7.070 25704
550 1 8 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.630 -0.120 25704
551 1 8 . 1 1 10 10 PHE C C 10 170.450 170.450 174.504 -4.054 25704
552 1 8 . 1 1 10 10 PHE CA C 10 53.480 53.480 58.265 -4.785 25704
553 1 8 . 1 1 10 10 PHE CB C 10 38.210 38.210 40.984 -2.775 25704
554 1 8 . 1 1 10 10 PHE H H 10 8.870 8.870 7.636 1.234 25704
555 1 8 . 1 1 11 11 GLY N N 11 104.020 104.020 113.312 -9.292 25704
556 1 8 . 1 1 11 11 GLY C C 11 168.060 168.060 172.744 -4.684 25704
557 1 8 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.396 -1.986 25704
558 1 8 . 1 1 11 11 GLY H H 11 7.240 7.240 7.558 -0.318 25704
559 1 8 . 1 1 12 12 LEU N N 12 124.050 124.050 121.558 2.492 25704
560 1 8 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.486 -0.626 25704
561 1 8 . 1 1 12 12 LEU C C 12 171.980 171.980 176.023 -4.043 25704
562 1 8 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.501 -1.101 25704
563 1 8 . 1 1 12 12 LEU CB C 12 36.930 36.930 43.964 -7.034 25704
564 1 8 . 1 1 12 12 LEU H H 12 8.660 8.660 8.063 0.597 25704
565 1 8 . 1 1 13 13 ASN N N 13 118.620 118.620 121.289 -2.669 25704
566 1 8 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.777 0.293 25704
567 1 8 . 1 1 13 13 ASN C C 13 172.810 172.810 176.090 -3.280 25704
568 1 8 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.941 -3.281 25704
569 1 8 . 1 1 13 13 ASN CB C 13 40.780 40.780 39.715 1.065 25704
570 1 8 . 1 1 13 13 ASN H H 13 9.640 9.640 8.063 1.577 25704
571 1 8 . 1 1 14 14 PHE N N 14 117.930 117.930 122.216 -4.286 25704
572 1 8 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.773 -0.043 25704
573 1 8 . 1 1 14 14 PHE C C 14 167.230 167.230 174.374 -7.144 25704
574 1 8 . 1 1 14 14 PHE CA C 14 54.920 54.920 58.200 -3.280 25704
575 1 8 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.528 -3.698 25704
576 1 8 . 1 1 14 14 PHE H H 14 6.860 6.860 7.948 -1.088 25704
577 1 9 . 1 1 2 2 PHE N N 2 108.900 108.900 121.452 -12.552 25704
578 1 9 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.165 -1.395 25704
579 1 9 . 1 1 2 2 PHE C C 2 170.630 170.630 174.303 -3.673 25704
580 1 9 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.651 -0.921 25704
581 1 9 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.225 -7.425 25704
582 1 9 . 1 1 2 2 PHE H H 2 8.550 8.550 8.648 -0.098 25704
583 1 9 . 1 1 3 3 GLY N N 3 103.960 103.960 113.754 -9.794 25704
584 1 9 . 1 1 3 3 GLY C C 3 167.560 167.560 172.843 -5.283 25704
585 1 9 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.378 -1.748 25704
586 1 9 . 1 1 3 3 GLY H H 3 7.740 7.740 7.778 -0.038 25704
587 1 9 . 1 1 4 4 SER N N 4 112.710 112.710 114.190 -1.480 25704
588 1 9 . 1 1 4 4 SER HA H 4 4.410 4.410 4.450 -0.040 25704
589 1 9 . 1 1 4 4 SER C C 4 169.300 169.300 175.094 -5.794 25704
590 1 9 . 1 1 4 4 SER CA C 4 55.710 55.710 58.562 -2.852 25704
591 1 9 . 1 1 4 4 SER CB C 4 62.800 62.800 63.675 -0.875 25704
592 1 9 . 1 1 4 4 SER H H 4 7.410 7.410 8.406 -0.996 25704
593 1 9 . 1 1 5 5 LYS N N 5 121.230 121.230 123.739 -2.509 25704
594 1 9 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.713 0.197 25704
595 1 9 . 1 1 5 5 LYS C C 5 171.240 171.240 174.618 -3.378 25704
596 1 9 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.199 -3.699 25704
597 1 9 . 1 1 5 5 LYS CB C 5 32.550 32.550 32.540 0.010 25704
598 1 9 . 1 1 5 5 LYS H H 5 8.720 8.720 7.486 1.234 25704
599 1 9 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.344 -0.174 25704
600 1 9 . 1 1 6 6 PRO C C 6 171.660 171.660 176.497 -4.837 25704
601 1 9 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.637 -4.867 25704
602 1 9 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.114 -3.084 25704
603 1 9 . 1 1 7 7 LEU N N 7 118.170 118.170 119.074 -0.904 25704
604 1 9 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.145 0.405 25704
605 1 9 . 1 1 7 7 LEU C C 7 170.700 170.700 177.636 -6.936 25704
606 1 9 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.518 -1.868 25704
607 1 9 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.625 2.145 25704
608 1 9 . 1 1 7 7 LEU H H 7 6.700 6.700 8.345 -1.645 25704
609 1 9 . 1 1 8 8 ASP N N 8 117.880 117.880 123.687 -5.807 25704
610 1 9 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.776 -0.156 25704
611 1 9 . 1 1 8 8 ASP C C 8 170.810 170.810 176.672 -5.862 25704
612 1 9 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.449 -4.389 25704
613 1 9 . 1 1 8 8 ASP CB C 8 36.120 36.120 42.767 -6.647 25704
614 1 9 . 1 1 8 8 ASP H H 8 8.960 8.960 8.235 0.725 25704
615 1 9 . 1 1 9 9 SER N N 9 111.550 111.550 113.885 -2.335 25704
616 1 9 . 1 1 9 9 SER HA H 9 3.760 3.760 4.372 -0.612 25704
617 1 9 . 1 1 9 9 SER C C 9 168.880 168.880 174.399 -5.519 25704
618 1 9 . 1 1 9 9 SER CA C 9 59.940 59.940 59.968 -0.028 25704
619 1 9 . 1 1 9 9 SER CB C 9 60.530 60.530 63.786 -3.256 25704
620 1 9 . 1 1 9 9 SER H H 9 8.340 8.340 8.286 0.054 25704
621 1 9 . 1 1 10 10 PHE N N 10 112.500 112.500 122.256 -9.756 25704
622 1 9 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.671 -0.161 25704
623 1 9 . 1 1 10 10 PHE C C 10 170.450 170.450 174.819 -4.369 25704
624 1 9 . 1 1 10 10 PHE CA C 10 53.480 53.480 58.170 -4.690 25704
625 1 9 . 1 1 10 10 PHE CB C 10 38.210 38.210 40.594 -2.384 25704
626 1 9 . 1 1 10 10 PHE H H 10 8.870 8.870 7.727 1.143 25704
627 1 9 . 1 1 11 11 GLY N N 11 104.020 104.020 114.183 -10.163 25704
628 1 9 . 1 1 11 11 GLY C C 11 168.060 168.060 172.733 -4.673 25704
629 1 9 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.413 -2.003 25704
630 1 9 . 1 1 11 11 GLY H H 11 7.240 7.240 7.745 -0.505 25704
631 1 9 . 1 1 12 12 LEU N N 12 124.050 124.050 121.251 2.799 25704
632 1 9 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.359 -0.499 25704
633 1 9 . 1 1 12 12 LEU C C 12 171.980 171.980 176.019 -4.039 25704
634 1 9 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.480 -1.080 25704
635 1 9 . 1 1 12 12 LEU CB C 12 36.930 36.930 43.310 -6.380 25704
636 1 9 . 1 1 12 12 LEU H H 12 8.660 8.660 8.337 0.323 25704
637 1 9 . 1 1 13 13 ASN N N 13 118.620 118.620 119.459 -0.839 25704
638 1 9 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.845 0.225 25704
639 1 9 . 1 1 13 13 ASN C C 13 172.810 172.810 175.349 -2.539 25704
640 1 9 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.861 -3.201 25704
641 1 9 . 1 1 13 13 ASN CB C 13 40.780 40.780 39.702 1.078 25704
642 1 9 . 1 1 13 13 ASN H H 13 9.640 9.640 7.947 1.693 25704
643 1 9 . 1 1 14 14 PHE N N 14 117.930 117.930 121.654 -3.724 25704
644 1 9 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.814 -0.084 25704
645 1 9 . 1 1 14 14 PHE C C 14 167.230 167.230 174.210 -6.980 25704
646 1 9 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.980 -3.060 25704
647 1 9 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.585 -3.755 25704
648 1 9 . 1 1 14 14 PHE H H 14 6.860 6.860 8.232 -1.372 25704
649 1 10 . 1 1 2 2 PHE N N 2 108.900 108.900 121.961 -13.061 25704
650 1 10 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.240 -1.470 25704
651 1 10 . 1 1 2 2 PHE C C 2 170.630 170.630 174.697 -4.067 25704
652 1 10 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.303 -0.574 25704
653 1 10 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.752 -7.952 25704
654 1 10 . 1 1 2 2 PHE H H 2 8.550 8.550 8.510 0.040 25704
655 1 10 . 1 1 3 3 GLY N N 3 103.960 103.960 114.319 -10.359 25704
656 1 10 . 1 1 3 3 GLY C C 3 167.560 167.560 172.814 -5.254 25704
657 1 10 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.222 -1.593 25704
658 1 10 . 1 1 3 3 GLY H H 3 7.740 7.740 7.393 0.347 25704
659 1 10 . 1 1 4 4 SER N N 4 112.710 112.710 114.486 -1.776 25704
660 1 10 . 1 1 4 4 SER HA H 4 4.410 4.410 4.453 -0.043 25704
661 1 10 . 1 1 4 4 SER C C 4 169.300 169.300 174.869 -5.569 25704
662 1 10 . 1 1 4 4 SER CA C 4 55.710 55.710 58.780 -3.070 25704
663 1 10 . 1 1 4 4 SER CB C 4 62.800 62.800 63.459 -0.659 25704
664 1 10 . 1 1 4 4 SER H H 4 7.410 7.410 8.436 -1.026 25704
665 1 10 . 1 1 5 5 LYS N N 5 121.230 121.230 123.249 -2.019 25704
666 1 10 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.779 0.131 25704
667 1 10 . 1 1 5 5 LYS C C 5 171.240 171.240 174.681 -3.441 25704
668 1 10 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.167 -3.667 25704
669 1 10 . 1 1 5 5 LYS CB C 5 32.550 32.550 32.782 -0.232 25704
670 1 10 . 1 1 5 5 LYS H H 5 8.720 8.720 7.629 1.091 25704
671 1 10 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.323 -0.153 25704
672 1 10 . 1 1 6 6 PRO C C 6 171.660 171.660 176.381 -4.721 25704
673 1 10 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.548 -4.778 25704
674 1 10 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.056 -3.026 25704
675 1 10 . 1 1 7 7 LEU N N 7 118.170 118.170 119.115 -0.945 25704
676 1 10 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.324 0.226 25704
677 1 10 . 1 1 7 7 LEU C C 7 170.700 170.700 177.587 -6.887 25704
678 1 10 . 1 1 7 7 LEU CA C 7 53.650 53.650 56.307 -2.657 25704
679 1 10 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.412 2.358 25704
680 1 10 . 1 1 7 7 LEU H H 7 6.700 6.700 8.335 -1.635 25704
681 1 10 . 1 1 8 8 ASP N N 8 117.880 117.880 123.087 -5.207 25704
682 1 10 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.871 -0.251 25704
683 1 10 . 1 1 8 8 ASP C C 8 170.810 170.810 176.693 -5.883 25704
684 1 10 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.496 -3.436 25704
685 1 10 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.601 -7.481 25704
686 1 10 . 1 1 8 8 ASP H H 8 8.960 8.960 8.356 0.604 25704
687 1 10 . 1 1 9 9 SER N N 9 111.550 111.550 114.410 -2.860 25704
688 1 10 . 1 1 9 9 SER HA H 9 3.760 3.760 4.359 -0.599 25704
689 1 10 . 1 1 9 9 SER C C 9 168.880 168.880 174.359 -5.479 25704
690 1 10 . 1 1 9 9 SER CA C 9 59.940 59.940 59.912 0.028 25704
691 1 10 . 1 1 9 9 SER CB C 9 60.530 60.530 63.790 -3.260 25704
692 1 10 . 1 1 9 9 SER H H 9 8.340 8.340 8.315 0.025 25704
693 1 10 . 1 1 10 10 PHE N N 10 112.500 112.500 121.318 -8.818 25704
694 1 10 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.679 -0.169 25704
695 1 10 . 1 1 10 10 PHE C C 10 170.450 170.450 174.668 -4.218 25704
696 1 10 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.790 -4.310 25704
697 1 10 . 1 1 10 10 PHE CB C 10 38.210 38.210 40.430 -2.220 25704
698 1 10 . 1 1 10 10 PHE H H 10 8.870 8.870 7.767 1.103 25704
699 1 10 . 1 1 11 11 GLY N N 11 104.020 104.020 114.223 -10.203 25704
700 1 10 . 1 1 11 11 GLY C C 11 168.060 168.060 172.685 -4.625 25704
701 1 10 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.661 -2.251 25704
702 1 10 . 1 1 11 11 GLY H H 11 7.240 7.240 7.929 -0.689 25704
703 1 10 . 1 1 12 12 LEU N N 12 124.050 124.050 122.047 2.003 25704
704 1 10 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.352 -0.492 25704
705 1 10 . 1 1 12 12 LEU C C 12 171.980 171.980 176.101 -4.121 25704
706 1 10 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.268 -0.868 25704
707 1 10 . 1 1 12 12 LEU CB C 12 36.930 36.930 43.480 -6.550 25704
708 1 10 . 1 1 12 12 LEU H H 12 8.660 8.660 8.125 0.535 25704
709 1 10 . 1 1 13 13 ASN N N 13 118.620 118.620 120.176 -1.556 25704
710 1 10 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.930 0.140 25704
711 1 10 . 1 1 13 13 ASN C C 13 172.810 172.810 175.236 -2.426 25704
712 1 10 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.623 -2.963 25704
713 1 10 . 1 1 13 13 ASN CB C 13 40.780 40.780 39.958 0.822 25704
714 1 10 . 1 1 13 13 ASN H H 13 9.640 9.640 8.097 1.543 25704
715 1 10 . 1 1 14 14 PHE N N 14 117.930 117.930 121.001 -3.071 25704
716 1 10 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.822 -0.092 25704
717 1 10 . 1 1 14 14 PHE C C 14 167.230 167.230 174.666 -7.436 25704
718 1 10 . 1 1 14 14 PHE CA C 14 54.920 54.920 58.130 -3.211 25704
719 1 10 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.454 -3.624 25704
720 1 10 . 1 1 14 14 PHE H H 14 6.860 6.860 8.196 -1.336 25704
721 1 11 . 1 1 2 2 PHE N N 2 108.900 108.900 122.071 -13.171 25704
722 1 11 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.126 -1.356 25704
723 1 11 . 1 1 2 2 PHE C C 2 170.630 170.630 173.998 -3.368 25704
724 1 11 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.863 -1.133 25704
725 1 11 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.548 -7.748 25704
726 1 11 . 1 1 2 2 PHE H H 2 8.550 8.550 8.608 -0.058 25704
727 1 11 . 1 1 3 3 GLY N N 3 103.960 103.960 112.828 -8.868 25704
728 1 11 . 1 1 3 3 GLY C C 3 167.560 167.560 172.945 -5.385 25704
729 1 11 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.500 -1.870 25704
730 1 11 . 1 1 3 3 GLY H H 3 7.740 7.740 7.722 0.018 25704
731 1 11 . 1 1 4 4 SER N N 4 112.710 112.710 114.776 -2.066 25704
732 1 11 . 1 1 4 4 SER HA H 4 4.410 4.410 4.523 -0.113 25704
733 1 11 . 1 1 4 4 SER C C 4 169.300 169.300 175.054 -5.754 25704
734 1 11 . 1 1 4 4 SER CA C 4 55.710 55.710 58.455 -2.745 25704
735 1 11 . 1 1 4 4 SER CB C 4 62.800 62.800 64.073 -1.274 25704
736 1 11 . 1 1 4 4 SER H H 4 7.410 7.410 8.382 -0.972 25704
737 1 11 . 1 1 5 5 LYS N N 5 121.230 121.230 123.787 -2.557 25704
738 1 11 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.722 0.188 25704
739 1 11 . 1 1 5 5 LYS C C 5 171.240 171.240 174.814 -3.574 25704
740 1 11 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.331 -3.831 25704
741 1 11 . 1 1 5 5 LYS CB C 5 32.550 32.550 32.395 0.155 25704
742 1 11 . 1 1 5 5 LYS H H 5 8.720 8.720 7.841 0.879 25704
743 1 11 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.349 -0.179 25704
744 1 11 . 1 1 6 6 PRO C C 6 171.660 171.660 176.303 -4.643 25704
745 1 11 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.624 -4.854 25704
746 1 11 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.084 -3.054 25704
747 1 11 . 1 1 7 7 LEU N N 7 118.170 118.170 118.243 -0.073 25704
748 1 11 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.264 0.286 25704
749 1 11 . 1 1 7 7 LEU C C 7 170.700 170.700 177.585 -6.885 25704
750 1 11 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.742 -2.091 25704
751 1 11 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.561 2.209 25704
752 1 11 . 1 1 7 7 LEU H H 7 6.700 6.700 8.309 -1.609 25704
753 1 11 . 1 1 8 8 ASP N N 8 117.880 117.880 123.394 -5.514 25704
754 1 11 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.851 -0.231 25704
755 1 11 . 1 1 8 8 ASP C C 8 170.810 170.810 176.619 -5.809 25704
756 1 11 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.324 -3.264 25704
757 1 11 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.717 -7.597 25704
758 1 11 . 1 1 8 8 ASP H H 8 8.960 8.960 8.317 0.643 25704
759 1 11 . 1 1 9 9 SER N N 9 111.550 111.550 115.311 -3.761 25704
760 1 11 . 1 1 9 9 SER HA H 9 3.760 3.760 4.341 -0.581 25704
761 1 11 . 1 1 9 9 SER C C 9 168.880 168.880 173.832 -4.952 25704
762 1 11 . 1 1 9 9 SER CA C 9 59.940 59.940 60.475 -0.535 25704
763 1 11 . 1 1 9 9 SER CB C 9 60.530 60.530 63.597 -3.067 25704
764 1 11 . 1 1 9 9 SER H H 9 8.340 8.340 8.630 -0.290 25704
765 1 11 . 1 1 10 10 PHE N N 10 112.500 112.500 121.215 -8.715 25704
766 1 11 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.596 -0.086 25704
767 1 11 . 1 1 10 10 PHE C C 10 170.450 170.450 175.172 -4.722 25704
768 1 11 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.729 -4.249 25704
769 1 11 . 1 1 10 10 PHE CB C 10 38.210 38.210 41.181 -2.971 25704
770 1 11 . 1 1 10 10 PHE H H 10 8.870 8.870 7.743 1.127 25704
771 1 11 . 1 1 11 11 GLY N N 11 104.020 104.020 115.225 -11.205 25704
772 1 11 . 1 1 11 11 GLY C C 11 168.060 168.060 172.692 -4.632 25704
773 1 11 . 1 1 11 11 GLY CA C 11 42.410 42.410 44.913 -2.503 25704
774 1 11 . 1 1 11 11 GLY H H 11 7.240 7.240 8.065 -0.825 25704
775 1 11 . 1 1 12 12 LEU N N 12 124.050 124.050 122.190 1.860 25704
776 1 11 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.464 -0.604 25704
777 1 11 . 1 1 12 12 LEU C C 12 171.980 171.980 175.592 -3.612 25704
778 1 11 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.053 -0.653 25704
779 1 11 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.106 -7.176 25704
780 1 11 . 1 1 12 12 LEU H H 12 8.660 8.660 7.908 0.752 25704
781 1 11 . 1 1 13 13 ASN N N 13 118.620 118.620 118.776 -0.156 25704
782 1 11 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.965 0.105 25704
783 1 11 . 1 1 13 13 ASN C C 13 172.810 172.810 175.461 -2.651 25704
784 1 11 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.365 -2.705 25704
785 1 11 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.417 0.363 25704
786 1 11 . 1 1 13 13 ASN H H 13 9.640 9.640 7.921 1.719 25704
787 1 11 . 1 1 14 14 PHE N N 14 117.930 117.930 121.300 -3.370 25704
788 1 11 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.989 -0.259 25704
789 1 11 . 1 1 14 14 PHE C C 14 167.230 167.230 174.788 -7.558 25704
790 1 11 . 1 1 14 14 PHE CA C 14 54.920 54.920 58.157 -3.237 25704
791 1 11 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.628 -3.798 25704
792 1 11 . 1 1 14 14 PHE H H 14 6.860 6.860 8.179 -1.319 25704
793 1 12 . 1 1 2 2 PHE N N 2 108.900 108.900 122.739 -13.839 25704
794 1 12 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.320 -1.550 25704
795 1 12 . 1 1 2 2 PHE C C 2 170.630 170.630 175.014 -4.384 25704
796 1 12 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.084 -0.354 25704
797 1 12 . 1 1 2 2 PHE CB C 2 33.800 33.800 41.184 -7.383 25704
798 1 12 . 1 1 2 2 PHE H H 2 8.550 8.550 8.860 -0.310 25704
799 1 12 . 1 1 3 3 GLY N N 3 103.960 103.960 112.950 -8.990 25704
800 1 12 . 1 1 3 3 GLY C C 3 167.560 167.560 171.970 -4.410 25704
801 1 12 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.050 -1.420 25704
802 1 12 . 1 1 3 3 GLY H H 3 7.740 7.740 8.029 -0.289 25704
803 1 12 . 1 1 4 4 SER N N 4 112.710 112.710 115.271 -2.561 25704
804 1 12 . 1 1 4 4 SER HA H 4 4.410 4.410 4.558 -0.148 25704
805 1 12 . 1 1 4 4 SER C C 4 169.300 169.300 173.555 -4.255 25704
806 1 12 . 1 1 4 4 SER CA C 4 55.710 55.710 58.367 -2.657 25704
807 1 12 . 1 1 4 4 SER CB C 4 62.800 62.800 63.463 -0.663 25704
808 1 12 . 1 1 4 4 SER H H 4 7.410 7.410 8.441 -1.031 25704
809 1 12 . 1 1 5 5 LYS N N 5 121.230 121.230 124.438 -3.208 25704
810 1 12 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.534 0.376 25704
811 1 12 . 1 1 5 5 LYS C C 5 171.240 171.240 173.674 -2.434 25704
812 1 12 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.981 -4.481 25704
813 1 12 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.382 -1.832 25704
814 1 12 . 1 1 5 5 LYS H H 5 8.720 8.720 7.851 0.869 25704
815 1 12 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.473 -0.303 25704
816 1 12 . 1 1 6 6 PRO C C 6 171.660 171.660 176.699 -5.039 25704
817 1 12 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.492 -4.722 25704
818 1 12 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.222 -3.192 25704
819 1 12 . 1 1 7 7 LEU N N 7 118.170 118.170 118.421 -0.251 25704
820 1 12 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.474 0.075 25704
821 1 12 . 1 1 7 7 LEU C C 7 170.700 170.700 177.656 -6.956 25704
822 1 12 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.976 -2.326 25704
823 1 12 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.987 1.782 25704
824 1 12 . 1 1 7 7 LEU H H 7 6.700 6.700 8.348 -1.648 25704
825 1 12 . 1 1 8 8 ASP N N 8 117.880 117.880 120.598 -2.718 25704
826 1 12 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.862 -0.242 25704
827 1 12 . 1 1 8 8 ASP C C 8 170.810 170.810 176.424 -5.614 25704
828 1 12 . 1 1 8 8 ASP CA C 8 49.060 49.060 53.186 -4.126 25704
829 1 12 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.300 -7.180 25704
830 1 12 . 1 1 8 8 ASP H H 8 8.960 8.960 8.265 0.695 25704
831 1 12 . 1 1 9 9 SER N N 9 111.550 111.550 117.905 -6.355 25704
832 1 12 . 1 1 9 9 SER HA H 9 3.760 3.760 4.387 -0.627 25704
833 1 12 . 1 1 9 9 SER C C 9 168.880 168.880 174.982 -6.102 25704
834 1 12 . 1 1 9 9 SER CA C 9 59.940 59.940 60.854 -0.914 25704
835 1 12 . 1 1 9 9 SER CB C 9 60.530 60.530 63.447 -2.917 25704
836 1 12 . 1 1 9 9 SER H H 9 8.340 8.340 8.700 -0.360 25704
837 1 12 . 1 1 10 10 PHE N N 10 112.500 112.500 120.318 -7.818 25704
838 1 12 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.816 -0.306 25704
839 1 12 . 1 1 10 10 PHE C C 10 170.450 170.450 174.997 -4.547 25704
840 1 12 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.296 -3.816 25704
841 1 12 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.311 -1.101 25704
842 1 12 . 1 1 10 10 PHE H H 10 8.870 8.870 7.913 0.957 25704
843 1 12 . 1 1 11 11 GLY N N 11 104.020 104.020 109.764 -5.744 25704
844 1 12 . 1 1 11 11 GLY C C 11 168.060 168.060 172.503 -4.443 25704
845 1 12 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.198 -2.788 25704
846 1 12 . 1 1 11 11 GLY H H 11 7.240 7.240 8.100 -0.860 25704
847 1 12 . 1 1 12 12 LEU N N 12 124.050 124.050 122.301 1.749 25704
848 1 12 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.761 -0.901 25704
849 1 12 . 1 1 12 12 LEU C C 12 171.980 171.980 175.772 -3.792 25704
850 1 12 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.243 -0.843 25704
851 1 12 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.449 -8.519 25704
852 1 12 . 1 1 12 12 LEU H H 12 8.660 8.660 8.023 0.637 25704
853 1 12 . 1 1 13 13 ASN N N 13 118.620 118.620 120.209 -1.589 25704
854 1 12 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.964 0.106 25704
855 1 12 . 1 1 13 13 ASN C C 13 172.810 172.810 174.842 -2.032 25704
856 1 12 . 1 1 13 13 ASN CA C 13 49.660 49.660 53.366 -3.706 25704
857 1 12 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.870 -0.090 25704
858 1 12 . 1 1 13 13 ASN H H 13 9.640 9.640 8.596 1.044 25704
859 1 12 . 1 1 14 14 PHE N N 14 117.930 117.930 122.940 -5.010 25704
860 1 12 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.663 0.067 25704
861 1 12 . 1 1 14 14 PHE C C 14 167.230 167.230 175.055 -7.825 25704
862 1 12 . 1 1 14 14 PHE CA C 14 54.920 54.920 58.900 -3.980 25704
863 1 12 . 1 1 14 14 PHE CB C 14 35.830 35.830 40.367 -4.537 25704
864 1 12 . 1 1 14 14 PHE H H 14 6.860 6.860 8.709 -1.849 25704
865 1 13 . 1 1 2 2 PHE N N 2 108.900 108.900 121.962 -13.062 25704
866 1 13 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.002 -1.232 25704
867 1 13 . 1 1 2 2 PHE C C 2 170.630 170.630 175.114 -4.484 25704
868 1 13 . 1 1 2 2 PHE CA C 2 56.730 56.730 56.776 -0.046 25704
869 1 13 . 1 1 2 2 PHE CB C 2 33.800 33.800 38.826 -5.026 25704
870 1 13 . 1 1 2 2 PHE H H 2 8.550 8.550 8.804 -0.254 25704
871 1 13 . 1 1 3 3 GLY N N 3 103.960 103.960 108.741 -4.781 25704
872 1 13 . 1 1 3 3 GLY C C 3 167.560 167.560 172.250 -4.690 25704
873 1 13 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.366 -1.736 25704
874 1 13 . 1 1 3 3 GLY H H 3 7.740 7.740 8.132 -0.392 25704
875 1 13 . 1 1 4 4 SER N N 4 112.710 112.710 115.370 -2.660 25704
876 1 13 . 1 1 4 4 SER HA H 4 4.410 4.410 4.661 -0.251 25704
877 1 13 . 1 1 4 4 SER C C 4 169.300 169.300 173.594 -4.294 25704
878 1 13 . 1 1 4 4 SER CA C 4 55.710 55.710 58.454 -2.744 25704
879 1 13 . 1 1 4 4 SER CB C 4 62.800 62.800 63.439 -0.639 25704
880 1 13 . 1 1 4 4 SER H H 4 7.410 7.410 8.578 -1.168 25704
881 1 13 . 1 1 5 5 LYS N N 5 121.230 121.230 124.852 -3.622 25704
882 1 13 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.617 0.293 25704
883 1 13 . 1 1 5 5 LYS C C 5 171.240 171.240 173.951 -2.711 25704
884 1 13 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.173 -4.673 25704
885 1 13 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.361 -1.810 25704
886 1 13 . 1 1 5 5 LYS H H 5 8.720 8.720 7.863 0.857 25704
887 1 13 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.505 -0.335 25704
888 1 13 . 1 1 6 6 PRO C C 6 171.660 171.660 176.524 -4.864 25704
889 1 13 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.490 -4.720 25704
890 1 13 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.045 -3.015 25704
891 1 13 . 1 1 7 7 LEU N N 7 118.170 118.170 118.360 -0.190 25704
892 1 13 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.456 0.094 25704
893 1 13 . 1 1 7 7 LEU C C 7 170.700 170.700 177.563 -6.863 25704
894 1 13 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.817 -2.167 25704
895 1 13 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.745 2.025 25704
896 1 13 . 1 1 7 7 LEU H H 7 6.700 6.700 8.321 -1.621 25704
897 1 13 . 1 1 8 8 ASP N N 8 117.880 117.880 122.060 -4.180 25704
898 1 13 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.874 -0.254 25704
899 1 13 . 1 1 8 8 ASP C C 8 170.810 170.810 176.179 -5.369 25704
900 1 13 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.515 -3.455 25704
901 1 13 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.339 -7.219 25704
902 1 13 . 1 1 8 8 ASP H H 8 8.960 8.960 8.130 0.830 25704
903 1 13 . 1 1 9 9 SER N N 9 111.550 111.550 117.399 -5.849 25704
904 1 13 . 1 1 9 9 SER HA H 9 3.760 3.760 4.347 -0.587 25704
905 1 13 . 1 1 9 9 SER C C 9 168.880 168.880 174.283 -5.403 25704
906 1 13 . 1 1 9 9 SER CA C 9 59.940 59.940 60.547 -0.607 25704
907 1 13 . 1 1 9 9 SER CB C 9 60.530 60.530 63.301 -2.771 25704
908 1 13 . 1 1 9 9 SER H H 9 8.340 8.340 8.812 -0.472 25704
909 1 13 . 1 1 10 10 PHE N N 10 112.500 112.500 120.525 -8.025 25704
910 1 13 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.611 -0.101 25704
911 1 13 . 1 1 10 10 PHE C C 10 170.450 170.450 175.203 -4.753 25704
912 1 13 . 1 1 10 10 PHE CA C 10 53.480 53.480 56.968 -3.488 25704
913 1 13 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.087 -0.877 25704
914 1 13 . 1 1 10 10 PHE H H 10 8.870 8.870 7.818 1.052 25704
915 1 13 . 1 1 11 11 GLY N N 11 104.020 104.020 110.409 -6.389 25704
916 1 13 . 1 1 11 11 GLY C C 11 168.060 168.060 172.968 -4.908 25704
917 1 13 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.610 -3.200 25704
918 1 13 . 1 1 11 11 GLY H H 11 7.240 7.240 8.051 -0.811 25704
919 1 13 . 1 1 12 12 LEU N N 12 124.050 124.050 122.374 1.676 25704
920 1 13 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.803 -0.943 25704
921 1 13 . 1 1 12 12 LEU C C 12 171.980 171.980 175.480 -3.500 25704
922 1 13 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.447 -1.047 25704
923 1 13 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.261 -8.331 25704
924 1 13 . 1 1 12 12 LEU H H 12 8.660 8.660 7.709 0.951 25704
925 1 13 . 1 1 13 13 ASN N N 13 118.620 118.620 120.905 -2.285 25704
926 1 13 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.969 0.101 25704
927 1 13 . 1 1 13 13 ASN C C 13 172.810 172.810 174.964 -2.154 25704
928 1 13 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.158 -2.498 25704
929 1 13 . 1 1 13 13 ASN CB C 13 40.780 40.780 41.166 -0.386 25704
930 1 13 . 1 1 13 13 ASN H H 13 9.640 9.640 8.210 1.430 25704
931 1 13 . 1 1 14 14 PHE N N 14 117.930 117.930 120.757 -2.827 25704
932 1 13 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.778 -0.048 25704
933 1 13 . 1 1 14 14 PHE C C 14 167.230 167.230 174.754 -7.524 25704
934 1 13 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.503 -2.583 25704
935 1 13 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.833 -4.003 25704
936 1 13 . 1 1 14 14 PHE H H 14 6.860 6.860 8.334 -1.474 25704
937 1 14 . 1 1 2 2 PHE N N 2 108.900 108.900 121.842 -12.942 25704
938 1 14 . 1 1 2 2 PHE HA H 2 3.770 3.770 4.976 -1.206 25704
939 1 14 . 1 1 2 2 PHE C C 2 170.630 170.630 175.075 -4.445 25704
940 1 14 . 1 1 2 2 PHE CA C 2 56.730 56.730 56.910 -0.180 25704
941 1 14 . 1 1 2 2 PHE CB C 2 33.800 33.800 39.071 -5.271 25704
942 1 14 . 1 1 2 2 PHE H H 2 8.550 8.550 8.729 -0.179 25704
943 1 14 . 1 1 3 3 GLY N N 3 103.960 103.960 109.209 -5.249 25704
944 1 14 . 1 1 3 3 GLY C C 3 167.560 167.560 172.226 -4.666 25704
945 1 14 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.339 -1.709 25704
946 1 14 . 1 1 3 3 GLY H H 3 7.740 7.740 7.912 -0.172 25704
947 1 14 . 1 1 4 4 SER N N 4 112.710 112.710 115.237 -2.527 25704
948 1 14 . 1 1 4 4 SER HA H 4 4.410 4.410 4.717 -0.307 25704
949 1 14 . 1 1 4 4 SER C C 4 169.300 169.300 173.575 -4.275 25704
950 1 14 . 1 1 4 4 SER CA C 4 55.710 55.710 58.239 -2.529 25704
951 1 14 . 1 1 4 4 SER CB C 4 62.800 62.800 63.619 -0.819 25704
952 1 14 . 1 1 4 4 SER H H 4 7.410 7.410 8.576 -1.166 25704
953 1 14 . 1 1 5 5 LYS N N 5 121.230 121.230 124.915 -3.685 25704
954 1 14 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.620 0.290 25704
955 1 14 . 1 1 5 5 LYS C C 5 171.240 171.240 173.975 -2.735 25704
956 1 14 . 1 1 5 5 LYS CA C 5 49.500 49.500 54.274 -4.774 25704
957 1 14 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.224 -1.674 25704
958 1 14 . 1 1 5 5 LYS H H 5 8.720 8.720 8.077 0.643 25704
959 1 14 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.522 -0.352 25704
960 1 14 . 1 1 6 6 PRO C C 6 171.660 171.660 176.477 -4.817 25704
961 1 14 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.496 -4.726 25704
962 1 14 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.031 -3.001 25704
963 1 14 . 1 1 7 7 LEU N N 7 118.170 118.170 118.214 -0.044 25704
964 1 14 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.460 0.090 25704
965 1 14 . 1 1 7 7 LEU C C 7 170.700 170.700 177.496 -6.796 25704
966 1 14 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.784 -2.134 25704
967 1 14 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.811 1.959 25704
968 1 14 . 1 1 7 7 LEU H H 7 6.700 6.700 8.308 -1.608 25704
969 1 14 . 1 1 8 8 ASP N N 8 117.880 117.880 121.618 -3.738 25704
970 1 14 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.907 -0.287 25704
971 1 14 . 1 1 8 8 ASP C C 8 170.810 170.810 176.366 -5.556 25704
972 1 14 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.554 -3.494 25704
973 1 14 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.556 -7.436 25704
974 1 14 . 1 1 8 8 ASP H H 8 8.960 8.960 7.963 0.997 25704
975 1 14 . 1 1 9 9 SER N N 9 111.550 111.550 116.732 -5.182 25704
976 1 14 . 1 1 9 9 SER HA H 9 3.760 3.760 4.342 -0.582 25704
977 1 14 . 1 1 9 9 SER C C 9 168.880 168.880 174.717 -5.837 25704
978 1 14 . 1 1 9 9 SER CA C 9 59.940 59.940 60.250 -0.310 25704
979 1 14 . 1 1 9 9 SER CB C 9 60.530 60.530 63.532 -3.002 25704
980 1 14 . 1 1 9 9 SER H H 9 8.340 8.340 8.481 -0.141 25704
981 1 14 . 1 1 10 10 PHE N N 10 112.500 112.500 121.369 -8.869 25704
982 1 14 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.659 -0.149 25704
983 1 14 . 1 1 10 10 PHE C C 10 170.450 170.450 174.986 -4.536 25704
984 1 14 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.153 -3.673 25704
985 1 14 . 1 1 10 10 PHE CB C 10 38.210 38.210 38.465 -0.255 25704
986 1 14 . 1 1 10 10 PHE H H 10 8.870 8.870 8.032 0.838 25704
987 1 14 . 1 1 11 11 GLY N N 11 104.020 104.020 110.286 -6.266 25704
988 1 14 . 1 1 11 11 GLY C C 11 168.060 168.060 173.186 -5.126 25704
989 1 14 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.719 -3.309 25704
990 1 14 . 1 1 11 11 GLY H H 11 7.240 7.240 7.943 -0.703 25704
991 1 14 . 1 1 12 12 LEU N N 12 124.050 124.050 122.377 1.673 25704
992 1 14 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.836 -0.976 25704
993 1 14 . 1 1 12 12 LEU C C 12 171.980 171.980 175.677 -3.697 25704
994 1 14 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.484 -1.084 25704
995 1 14 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.116 -8.186 25704
996 1 14 . 1 1 12 12 LEU H H 12 8.660 8.660 7.767 0.893 25704
997 1 14 . 1 1 13 13 ASN N N 13 118.620 118.620 120.541 -1.921 25704
998 1 14 . 1 1 13 13 ASN HA H 13 5.070 5.070 5.044 0.026 25704
999 1 14 . 1 1 13 13 ASN C C 13 172.810 172.810 174.993 -2.183 25704
1000 1 14 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.288 -2.627 25704
1001 1 14 . 1 1 13 13 ASN CB C 13 40.780 40.780 41.631 -0.851 25704
1002 1 14 . 1 1 13 13 ASN H H 13 9.640 9.640 8.302 1.338 25704
1003 1 14 . 1 1 14 14 PHE N N 14 117.930 117.930 119.284 -1.354 25704
1004 1 14 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.971 -0.241 25704
1005 1 14 . 1 1 14 14 PHE C C 14 167.230 167.230 174.701 -7.471 25704
1006 1 14 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.363 -2.443 25704
1007 1 14 . 1 1 14 14 PHE CB C 14 35.830 35.830 40.001 -4.171 25704
1008 1 14 . 1 1 14 14 PHE H H 14 6.860 6.860 8.454 -1.594 25704
1009 1 15 . 1 1 2 2 PHE N N 2 108.900 108.900 122.016 -13.116 25704
1010 1 15 . 1 1 2 2 PHE HA H 2 3.770 3.770 4.984 -1.214 25704
1011 1 15 . 1 1 2 2 PHE C C 2 170.630 170.630 175.092 -4.462 25704
1012 1 15 . 1 1 2 2 PHE CA C 2 56.730 56.730 56.996 -0.266 25704
1013 1 15 . 1 1 2 2 PHE CB C 2 33.800 33.800 39.076 -5.276 25704
1014 1 15 . 1 1 2 2 PHE H H 2 8.550 8.550 8.798 -0.248 25704
1015 1 15 . 1 1 3 3 GLY N N 3 103.960 103.960 109.076 -5.116 25704
1016 1 15 . 1 1 3 3 GLY C C 3 167.560 167.560 172.321 -4.761 25704
1017 1 15 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.409 -1.779 25704
1018 1 15 . 1 1 3 3 GLY H H 3 7.740 7.740 8.128 -0.388 25704
1019 1 15 . 1 1 4 4 SER N N 4 112.710 112.710 115.403 -2.693 25704
1020 1 15 . 1 1 4 4 SER HA H 4 4.410 4.410 4.645 -0.235 25704
1021 1 15 . 1 1 4 4 SER C C 4 169.300 169.300 173.577 -4.277 25704
1022 1 15 . 1 1 4 4 SER CA C 4 55.710 55.710 58.435 -2.725 25704
1023 1 15 . 1 1 4 4 SER CB C 4 62.800 62.800 63.276 -0.476 25704
1024 1 15 . 1 1 4 4 SER H H 4 7.410 7.410 8.573 -1.163 25704
1025 1 15 . 1 1 5 5 LYS N N 5 121.230 121.230 124.530 -3.300 25704
1026 1 15 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.664 0.246 25704
1027 1 15 . 1 1 5 5 LYS C C 5 171.240 171.240 174.098 -2.858 25704
1028 1 15 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.995 -4.495 25704
1029 1 15 . 1 1 5 5 LYS CB C 5 32.550 32.550 34.643 -2.093 25704
1030 1 15 . 1 1 5 5 LYS H H 5 8.720 8.720 7.720 1.000 25704
1031 1 15 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.490 -0.320 25704
1032 1 15 . 1 1 6 6 PRO C C 6 171.660 171.660 176.568 -4.908 25704
1033 1 15 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.472 -4.702 25704
1034 1 15 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.029 -2.999 25704
1035 1 15 . 1 1 7 7 LEU N N 7 118.170 118.170 118.343 -0.173 25704
1036 1 15 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.431 0.119 25704
1037 1 15 . 1 1 7 7 LEU C C 7 170.700 170.700 177.556 -6.856 25704
1038 1 15 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.949 -2.299 25704
1039 1 15 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.748 2.022 25704
1040 1 15 . 1 1 7 7 LEU H H 7 6.700 6.700 8.309 -1.609 25704
1041 1 15 . 1 1 8 8 ASP N N 8 117.880 117.880 121.701 -3.821 25704
1042 1 15 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.815 -0.195 25704
1043 1 15 . 1 1 8 8 ASP C C 8 170.810 170.810 176.323 -5.513 25704
1044 1 15 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.882 -3.822 25704
1045 1 15 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.408 -7.288 25704
1046 1 15 . 1 1 8 8 ASP H H 8 8.960 8.960 8.029 0.931 25704
1047 1 15 . 1 1 9 9 SER N N 9 111.550 111.550 117.746 -6.196 25704
1048 1 15 . 1 1 9 9 SER HA H 9 3.760 3.760 4.339 -0.579 25704
1049 1 15 . 1 1 9 9 SER C C 9 168.880 168.880 174.890 -6.010 25704
1050 1 15 . 1 1 9 9 SER CA C 9 59.940 59.940 60.659 -0.719 25704
1051 1 15 . 1 1 9 9 SER CB C 9 60.530 60.530 63.446 -2.916 25704
1052 1 15 . 1 1 9 9 SER H H 9 8.340 8.340 8.614 -0.274 25704
1053 1 15 . 1 1 10 10 PHE N N 10 112.500 112.500 120.561 -8.061 25704
1054 1 15 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.679 -0.169 25704
1055 1 15 . 1 1 10 10 PHE C C 10 170.450 170.450 174.899 -4.449 25704
1056 1 15 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.166 -3.686 25704
1057 1 15 . 1 1 10 10 PHE CB C 10 38.210 38.210 38.640 -0.430 25704
1058 1 15 . 1 1 10 10 PHE H H 10 8.870 8.870 7.962 0.908 25704
1059 1 15 . 1 1 11 11 GLY N N 11 104.020 104.020 110.351 -6.331 25704
1060 1 15 . 1 1 11 11 GLY C C 11 168.060 168.060 172.625 -4.565 25704
1061 1 15 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.695 -3.285 25704
1062 1 15 . 1 1 11 11 GLY H H 11 7.240 7.240 8.041 -0.801 25704
1063 1 15 . 1 1 12 12 LEU N N 12 124.050 124.050 121.918 2.132 25704
1064 1 15 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.908 -1.048 25704
1065 1 15 . 1 1 12 12 LEU C C 12 171.980 171.980 175.703 -3.723 25704
1066 1 15 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.307 -0.907 25704
1067 1 15 . 1 1 12 12 LEU CB C 12 36.930 36.930 45.002 -8.072 25704
1068 1 15 . 1 1 12 12 LEU H H 12 8.660 8.660 7.646 1.014 25704
1069 1 15 . 1 1 13 13 ASN N N 13 118.620 118.620 120.933 -2.313 25704
1070 1 15 . 1 1 13 13 ASN HA H 13 5.070 5.070 5.012 0.058 25704
1071 1 15 . 1 1 13 13 ASN C C 13 172.810 172.810 174.975 -2.165 25704
1072 1 15 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.535 -2.875 25704
1073 1 15 . 1 1 13 13 ASN CB C 13 40.780 40.780 41.366 -0.586 25704
1074 1 15 . 1 1 13 13 ASN H H 13 9.640 9.640 8.254 1.386 25704
1075 1 15 . 1 1 14 14 PHE N N 14 117.930 117.930 119.479 -1.549 25704
1076 1 15 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.904 -0.174 25704
1077 1 15 . 1 1 14 14 PHE C C 14 167.230 167.230 174.757 -7.527 25704
1078 1 15 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.243 -2.324 25704
1079 1 15 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.882 -4.052 25704
1080 1 15 . 1 1 14 14 PHE H H 14 6.860 6.860 8.380 -1.520 25704
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 12 6.156 4.461 4.431 25704
2 1 1 "Average Difference" HA 15 0.597 0.264 0.554 25704
3 1 1 "Average Difference" C 13 5.058 4.836 1.543 25704
4 1 1 "Average Difference" CA 13 3.022 2.666 1.481 25704
5 1 1 "Average Difference" CB 11 4.418 3.078 3.325 25704
6 1 1 "Average Difference" HN 12 1.021 0.090 1.062 25704
7 1 2 "Average Difference" N 12 6.102 4.390 4.426 25704
8 1 2 "Average Difference" HA 15 0.484 0.142 0.479 25704
9 1 2 "Average Difference" C 13 5.000 4.793 1.483 25704
10 1 2 "Average Difference" CA 13 2.705 2.413 1.272 25704
11 1 2 "Average Difference" CB 11 4.731 3.286 3.570 25704
12 1 2 "Average Difference" HN 12 0.973 -0.038 1.016 25704
13 1 3 "Average Difference" N 12 6.292 4.606 4.477 25704
14 1 3 "Average Difference" HA 15 0.577 0.176 0.569 25704
15 1 3 "Average Difference" C 13 4.927 4.727 1.443 25704
16 1 3 "Average Difference" CA 13 3.006 2.604 1.564 25704
17 1 3 "Average Difference" CB 11 4.270 3.059 3.124 25704
18 1 3 "Average Difference" HN 12 0.923 0.069 0.961 25704
19 1 4 "Average Difference" N 12 6.479 4.818 4.524 25704
20 1 4 "Average Difference" HA 15 0.576 0.252 0.536 25704
21 1 4 "Average Difference" C 13 4.871 4.675 1.424 25704
22 1 4 "Average Difference" CA 13 3.062 2.648 1.602 25704
23 1 4 "Average Difference" CB 11 4.474 3.031 3.452 25704
24 1 4 "Average Difference" HN 12 0.947 0.052 0.988 25704
25 1 5 "Average Difference" N 12 6.488 4.807 4.551 25704
26 1 5 "Average Difference" HA 15 0.584 0.268 0.537 25704
27 1 5 "Average Difference" C 13 4.925 4.710 1.501 25704
28 1 5 "Average Difference" CA 13 3.026 2.603 1.606 25704
29 1 5 "Average Difference" CB 11 4.455 2.994 3.459 25704
30 1 5 "Average Difference" HN 12 0.951 0.096 0.988 25704
31 1 6 "Average Difference" N 12 6.505 4.800 4.586 25704
32 1 6 "Average Difference" HA 15 0.552 0.174 0.543 25704
33 1 6 "Average Difference" C 13 4.971 4.788 1.390 25704
34 1 6 "Average Difference" CA 13 3.086 2.641 1.662 25704
35 1 6 "Average Difference" CB 11 4.462 3.158 3.307 25704
36 1 6 "Average Difference" HN 12 0.916 -0.014 0.957 25704
37 1 7 "Average Difference" N 12 5.748 3.498 4.763 25704
38 1 7 "Average Difference" HA 15 0.593 0.189 0.582 25704
39 1 7 "Average Difference" C 13 4.897 4.669 1.538 25704
40 1 7 "Average Difference" CA 13 2.913 2.531 1.500 25704
41 1 7 "Average Difference" CB 11 4.476 3.012 3.473 25704
42 1 7 "Average Difference" HN 12 0.957 -0.138 0.989 25704
43 1 8 "Average Difference" N 12 6.142 4.026 4.844 25704
44 1 8 "Average Difference" HA 15 0.506 0.129 0.506 25704
45 1 8 "Average Difference" C 13 5.065 4.897 1.346 25704
46 1 8 "Average Difference" CA 13 3.106 2.685 1.627 25704
47 1 8 "Average Difference" CB 11 4.430 2.668 3.709 25704
48 1 8 "Average Difference" HN 12 1.010 -0.153 1.042 25704
49 1 9 "Average Difference" N 12 6.601 4.755 4.781 25704
50 1 9 "Average Difference" HA 15 0.527 0.157 0.520 25704
51 1 9 "Average Difference" C 13 5.077 4.914 1.329 25704
52 1 9 "Average Difference" CA 13 3.025 2.647 1.525 25704
53 1 9 "Average Difference" CB 11 4.117 2.779 3.185 25704
54 1 9 "Average Difference" HN 12 1.007 -0.043 1.051 25704
55 1 10 "Average Difference" N 12 6.577 4.823 4.670 25704
56 1 10 "Average Difference" HA 15 0.549 0.170 0.540 25704
57 1 10 "Average Difference" C 13 5.104 4.933 1.365 25704
58 1 10 "Average Difference" CA 13 2.921 2.565 1.454 25704
59 1 10 "Average Difference" CB 11 4.335 2.893 3.385 25704
60 1 10 "Average Difference" HN 12 0.981 -0.050 1.023 25704
61 1 11 "Average Difference" N 12 6.607 4.800 4.742 25704
62 1 11 "Average Difference" HA 15 0.543 0.164 0.536 25704
63 1 11 "Average Difference" C 13 5.072 4.888 1.408 25704
64 1 11 "Average Difference" CA 13 2.888 2.590 1.329 25704
65 1 11 "Average Difference" CB 11 4.451 3.087 3.362 25704
66 1 11 "Average Difference" HN 12 1.001 -0.005 1.045 25704
67 1 12 "Average Difference" N 12 6.204 4.694 4.236 25704
68 1 12 "Average Difference" HA 15 0.580 0.240 0.546 25704
69 1 12 "Average Difference" C 13 5.003 4.756 1.614 25704
70 1 12 "Average Difference" CA 13 3.131 2.779 1.501 25704
71 1 12 "Average Difference" CB 11 4.534 3.239 3.327 25704
72 1 12 "Average Difference" HN 12 0.996 0.179 1.023 25704
73 1 13 "Average Difference" N 12 5.676 4.349 3.809 25704
74 1 13 "Average Difference" HA 15 0.556 0.237 0.520 25704
75 1 13 "Average Difference" C 13 4.937 4.732 1.465 25704
76 1 13 "Average Difference" CA 13 2.883 2.536 1.428 25704
77 1 13 "Average Difference" CB 11 4.137 2.914 3.080 25704
78 1 13 "Average Difference" HN 12 1.031 0.089 1.072 25704
79 1 14 "Average Difference" N 12 5.643 4.175 3.964 25704
80 1 14 "Average Difference" HA 15 0.559 0.257 0.514 25704
81 1 14 "Average Difference" C 13 4.982 4.780 1.463 25704
82 1 14 "Average Difference" CA 13 2.907 2.538 1.475 25704
83 1 14 "Average Difference" CB 11 4.195 2.973 3.104 25704
84 1 14 "Average Difference" HN 12 0.990 0.071 1.031 25704
85 1 15 "Average Difference" N 12 5.677 4.211 3.976 25704
86 1 15 "Average Difference" HA 15 0.564 0.249 0.523 25704
87 1 15 "Average Difference" C 13 4.981 4.775 1.474 25704
88 1 15 "Average Difference" CA 13 2.938 2.606 1.412 25704
89 1 15 "Average Difference" CB 11 4.148 2.924 3.085 25704
90 1 15 "Average Difference" HN 12 1.034 0.064 1.077 25704
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 25704
_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 PHE N N 2 108.900 108.900 121.947 -13.047 25704
2 1 . 1 1 2 2 PHE HA H 2 3.770 3.770 5.145 -1.375 25704
3 1 . 1 1 2 2 PHE C C 2 170.630 170.630 174.642 -4.012 25704
4 1 . 1 1 2 2 PHE CA C 2 56.730 56.730 57.286 -0.556 25704
5 1 . 1 1 2 2 PHE CB C 2 33.800 33.800 40.937 -7.137 25704
6 1 . 1 1 2 2 PHE H H 2 8.550 8.550 8.648 -0.098 25704
7 1 . 1 1 3 3 GLY N N 3 103.960 103.960 112.260 -8.300 25704
8 1 . 1 1 3 3 GLY C C 3 167.560 167.560 172.522 -4.962 25704
9 1 . 1 1 3 3 GLY CA C 3 43.630 43.630 45.138 -1.508 25704
10 1 . 1 1 3 3 GLY H H 3 7.740 7.740 7.718 0.022 25704
11 1 . 1 1 4 4 SER N N 4 112.710 112.710 114.896 -2.186 25704
12 1 . 1 1 4 4 SER HA H 4 4.410 4.410 4.566 -0.156 25704
13 1 . 1 1 4 4 SER C C 4 169.300 169.300 174.145 -4.845 25704
14 1 . 1 1 4 4 SER CA C 4 55.710 55.710 58.409 -2.699 25704
15 1 . 1 1 4 4 SER CB C 4 62.800 62.800 63.567 -0.767 25704
16 1 . 1 1 4 4 SER H H 4 7.410 7.410 8.501 -1.091 25704
17 1 . 1 1 5 5 LYS N N 5 121.230 121.230 123.864 -2.634 25704
18 1 . 1 1 5 5 LYS HA H 5 4.910 4.910 4.655 0.255 25704
19 1 . 1 1 5 5 LYS C C 5 171.240 171.240 174.129 -2.889 25704
20 1 . 1 1 5 5 LYS CA C 5 49.500 49.500 53.705 -4.205 25704
21 1 . 1 1 5 5 LYS CB C 5 32.550 32.550 33.844 -1.294 25704
22 1 . 1 1 5 5 LYS H H 5 8.720 8.720 7.759 0.961 25704
23 1 . 1 1 6 6 PRO HA H 6 4.170 4.170 4.424 -0.254 25704
24 1 . 1 1 6 6 PRO C C 6 171.660 171.660 176.603 -4.943 25704
25 1 . 1 1 6 6 PRO CA C 6 57.770 57.770 62.552 -4.782 25704
26 1 . 1 1 6 6 PRO CB C 6 29.030 29.030 32.109 -3.079 25704
27 1 . 1 1 7 7 LEU N N 7 118.170 118.170 117.865 0.305 25704
28 1 . 1 1 7 7 LEU HA H 7 4.550 4.550 4.302 0.248 25704
29 1 . 1 1 7 7 LEU C C 7 170.700 170.700 177.275 -6.575 25704
30 1 . 1 1 7 7 LEU CA C 7 53.650 53.650 55.759 -2.109 25704
31 1 . 1 1 7 7 LEU CB C 7 43.770 43.770 41.435 2.335 25704
32 1 . 1 1 7 7 LEU H H 7 6.700 6.700 8.324 -1.624 25704
33 1 . 1 1 8 8 ASP N N 8 117.880 117.880 122.324 -4.444 25704
34 1 . 1 1 8 8 ASP HA H 8 4.620 4.620 4.818 -0.198 25704
35 1 . 1 1 8 8 ASP C C 8 170.810 170.810 176.524 -5.714 25704
36 1 . 1 1 8 8 ASP CA C 8 49.060 49.060 52.996 -3.936 25704
37 1 . 1 1 8 8 ASP CB C 8 36.120 36.120 43.245 -7.125 25704
38 1 . 1 1 8 8 ASP H H 8 8.960 8.960 8.122 0.838 25704
39 1 . 1 1 9 9 SER N N 9 111.550 111.550 116.132 -4.582 25704
40 1 . 1 1 9 9 SER HA H 9 3.760 3.760 4.370 -0.610 25704
41 1 . 1 1 9 9 SER C C 9 168.880 168.880 174.585 -5.705 25704
42 1 . 1 1 9 9 SER CA C 9 59.940 59.940 60.370 -0.430 25704
43 1 . 1 1 9 9 SER CB C 9 60.530 60.530 63.557 -3.027 25704
44 1 . 1 1 9 9 SER H H 9 8.340 8.340 8.553 -0.213 25704
45 1 . 1 1 10 10 PHE N N 10 112.500 112.500 121.092 -8.592 25704
46 1 . 1 1 10 10 PHE HA H 10 4.510 4.510 4.694 -0.184 25704
47 1 . 1 1 10 10 PHE C C 10 170.450 170.450 174.915 -4.465 25704
48 1 . 1 1 10 10 PHE CA C 10 53.480 53.480 57.563 -4.083 25704
49 1 . 1 1 10 10 PHE CB C 10 38.210 38.210 39.803 -1.593 25704
50 1 . 1 1 10 10 PHE H H 10 8.870 8.870 7.871 0.999 25704
51 1 . 1 1 11 11 GLY N N 11 104.020 104.020 111.937 -7.917 25704
52 1 . 1 1 11 11 GLY C C 11 168.060 168.060 172.803 -4.743 25704
53 1 . 1 1 11 11 GLY CA C 11 42.410 42.410 45.096 -2.686 25704
54 1 . 1 1 11 11 GLY H H 11 7.240 7.240 7.936 -0.696 25704
55 1 . 1 1 12 12 LEU N N 12 124.050 124.050 121.910 2.140 25704
56 1 . 1 1 12 12 LEU HA H 12 3.860 3.860 4.631 -0.771 25704
57 1 . 1 1 12 12 LEU C C 12 171.980 171.980 175.765 -3.785 25704
58 1 . 1 1 12 12 LEU CA C 12 52.400 52.400 53.303 -0.903 25704
59 1 . 1 1 12 12 LEU CB C 12 36.930 36.930 44.680 -7.750 25704
60 1 . 1 1 12 12 LEU H H 12 8.660 8.660 7.963 0.697 25704
61 1 . 1 1 13 13 ASN N N 13 118.620 118.620 120.465 -1.845 25704
62 1 . 1 1 13 13 ASN HA H 13 5.070 5.070 4.861 0.209 25704
63 1 . 1 1 13 13 ASN C C 13 172.810 172.810 175.123 -2.313 25704
64 1 . 1 1 13 13 ASN CA C 13 49.660 49.660 52.869 -3.209 25704
65 1 . 1 1 13 13 ASN CB C 13 40.780 40.780 40.449 0.331 25704
66 1 . 1 1 13 13 ASN H H 13 9.640 9.640 8.292 1.348 25704
67 1 . 1 1 14 14 PHE N N 14 117.930 117.930 120.601 -2.671 25704
68 1 . 1 1 14 14 PHE HA H 14 4.730 4.730 4.799 -0.069 25704
69 1 . 1 1 14 14 PHE C C 14 167.230 167.230 174.570 -7.340 25704
70 1 . 1 1 14 14 PHE CA C 14 54.920 54.920 57.659 -2.739 25704
71 1 . 1 1 14 14 PHE CB C 14 35.830 35.830 39.793 -3.963 25704
72 1 . 1 1 14 14 PHE H H 14 6.860 6.860 8.219 -1.359 25704
stop_
save_