data_18223
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18223
_Entry.PDB_ID 2LOS
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 18223
_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 11 11 GLN C C 2 176.170 176.170 174.464 1.706 18223
2 1 1 . 1 1 12 12 ASP N N 3 120.369 120.369 123.069 -2.700 18223
3 1 1 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.908 -0.758 18223
4 1 1 . 1 1 12 12 ASP C C 3 176.980 176.980 177.117 -0.137 18223
5 1 1 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.136 1.700 18223
6 1 1 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.113 -1.317 18223
7 1 1 . 1 1 12 12 ASP H H 3 8.275 8.275 8.409 -0.134 18223
8 1 1 . 1 1 13 13 THR N N 4 114.220 114.220 115.264 -1.044 18223
9 1 1 . 1 1 13 13 THR HA H 4 4.636 4.636 4.156 0.480 18223
10 1 1 . 1 1 13 13 THR C C 4 175.530 175.530 175.005 0.525 18223
11 1 1 . 1 1 13 13 THR CA C 4 62.790 62.790 64.308 -1.518 18223
12 1 1 . 1 1 13 13 THR CB C 4 69.134 69.134 69.156 -0.022 18223
13 1 1 . 1 1 13 13 THR H H 4 7.990 7.990 8.161 -0.171 18223
14 1 1 . 1 1 14 14 SER N N 5 117.664 117.664 115.510 2.154 18223
15 1 1 . 1 1 14 14 SER HA H 5 4.296 4.296 4.684 -0.388 18223
16 1 1 . 1 1 14 14 SER C C 5 175.200 175.200 174.675 0.525 18223
17 1 1 . 1 1 14 14 SER CA C 5 59.443 59.443 57.760 1.683 18223
18 1 1 . 1 1 14 14 SER CB C 5 63.438 63.438 65.597 -2.159 18223
19 1 1 . 1 1 14 14 SER H H 5 8.255 8.255 7.710 0.545 18223
20 1 1 . 1 1 15 15 SER N N 6 117.093 117.093 119.552 -2.459 18223
21 1 1 . 1 1 15 15 SER HA H 6 4.317 4.317 4.115 0.202 18223
22 1 1 . 1 1 15 15 SER C C 6 174.770 174.770 174.849 -0.079 18223
23 1 1 . 1 1 15 15 SER CA C 6 58.737 58.737 61.021 -2.284 18223
24 1 1 . 1 1 15 15 SER CB C 6 63.656 63.656 63.346 0.310 18223
25 1 1 . 1 1 15 15 SER H H 6 8.050 8.050 8.932 -0.882 18223
26 1 1 . 1 1 16 16 VAL N N 7 119.995 119.995 115.580 4.415 18223
27 1 1 . 1 1 16 16 VAL C C 7 176.150 176.150 174.710 1.440 18223
28 1 1 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.233 0.510 18223
29 1 1 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.885 -0.670 18223
30 1 1 . 1 1 16 16 VAL H H 7 7.775 7.775 7.463 0.312 18223
31 1 1 . 1 1 17 17 VAL N N 8 121.090 121.090 122.763 -1.673 18223
32 1 1 . 1 1 17 17 VAL CA C 8 60.910 60.910 61.645 -0.735 18223
33 1 1 . 1 1 17 17 VAL H H 8 7.730 7.730 7.932 -0.202 18223
34 1 1 . 1 1 18 18 PRO C C 9 178.410 178.410 178.357 0.053 18223
35 1 1 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.589 1.921 18223
36 1 1 . 1 1 19 19 LEU N N 10 121.410 121.410 121.520 -0.110 18223
37 1 1 . 1 1 19 19 LEU C C 10 178.910 178.910 179.046 -0.136 18223
38 1 1 . 1 1 19 19 LEU CA C 10 56.850 56.850 60.046 -3.196 18223
39 1 1 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.687 -0.242 18223
40 1 1 . 1 1 19 19 LEU H H 10 7.930 7.930 8.618 -0.688 18223
41 1 1 . 1 1 20 20 HIS N N 11 116.900 116.900 117.202 -0.302 18223
42 1 1 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.246 0.385 18223
43 1 1 . 1 1 20 20 HIS C C 11 174.990 174.990 177.556 -2.566 18223
44 1 1 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.202 -3.202 18223
45 1 1 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.421 -1.460 18223
46 1 1 . 1 1 20 20 HIS H H 11 8.384 8.384 8.420 -0.036 18223
47 1 1 . 1 1 21 21 TRP C C 12 177.660 177.660 178.759 -1.099 18223
48 1 1 . 1 1 22 22 PHE N N 13 119.238 119.238 118.247 0.991 18223
49 1 1 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.183 0.105 18223
50 1 1 . 1 1 22 22 PHE C C 13 177.410 177.410 177.892 -0.482 18223
51 1 1 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.910 -2.212 18223
52 1 1 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.676 -0.332 18223
53 1 1 . 1 1 22 22 PHE H H 13 7.883 7.883 8.984 -1.101 18223
54 1 1 . 1 1 23 23 GLY N N 14 107.209 107.209 106.513 0.696 18223
55 1 1 . 1 1 23 23 GLY C C 14 176.220 176.220 176.317 -0.097 18223
56 1 1 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.333 -0.253 18223
57 1 1 . 1 1 23 23 GLY H H 14 7.911 7.911 8.313 -0.402 18223
58 1 1 . 1 1 24 24 PHE N N 15 121.880 121.880 122.988 -1.108 18223
59 1 1 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.384 0.029 18223
60 1 1 . 1 1 24 24 PHE C C 15 177.840 177.840 178.232 -0.392 18223
61 1 1 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.369 -0.279 18223
62 1 1 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.844 0.005 18223
63 1 1 . 1 1 24 24 PHE H H 15 7.900 7.900 8.493 -0.593 18223
64 1 1 . 1 1 25 25 GLY N N 16 107.640 107.640 107.533 0.107 18223
65 1 1 . 1 1 25 25 GLY C C 16 174.910 174.910 176.096 -1.186 18223
66 1 1 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.238 0.092 18223
67 1 1 . 1 1 25 25 GLY H H 16 8.320 8.320 8.878 -0.558 18223
68 1 1 . 1 1 26 26 TYR N N 17 121.804 121.804 123.175 -1.371 18223
69 1 1 . 1 1 26 26 TYR C C 17 177.120 177.120 177.780 -0.660 18223
70 1 1 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.706 -0.036 18223
71 1 1 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.442 -0.041 18223
72 1 1 . 1 1 26 26 TYR H H 17 8.365 8.365 8.399 -0.034 18223
73 1 1 . 1 1 27 27 ALA N N 18 120.785 120.785 120.513 0.272 18223
74 1 1 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.995 -0.112 18223
75 1 1 . 1 1 27 27 ALA C C 18 178.790 178.790 179.262 -0.472 18223
76 1 1 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.026 0.014 18223
77 1 1 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.905 -0.184 18223
78 1 1 . 1 1 27 27 ALA H H 18 7.949 7.949 8.371 -0.422 18223
79 1 1 . 1 1 28 28 ALA N N 19 120.210 120.210 121.232 -1.022 18223
80 1 1 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.681 0.169 18223
81 1 1 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.282 -0.560 18223
82 1 1 . 1 1 28 28 ALA H H 19 7.870 7.870 7.899 -0.029 18223
83 1 1 . 1 1 29 29 LEU N N 20 120.090 120.090 120.260 -0.170 18223
84 1 1 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.198 -6.198 18223
85 1 1 . 1 1 29 29 LEU H H 20 8.000 8.000 7.852 0.148 18223
86 1 1 . 1 1 30 30 VAL N N 21 118.299 118.299 119.760 -1.461 18223
87 1 1 . 1 1 30 30 VAL C C 21 178.920 178.920 178.107 0.813 18223
88 1 1 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.174 -0.553 18223
89 1 1 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.846 0.431 18223
90 1 1 . 1 1 30 30 VAL H H 21 7.947 7.947 7.995 -0.048 18223
91 1 1 . 1 1 31 31 ALA N N 22 122.600 122.600 120.764 1.836 18223
92 1 1 . 1 1 31 31 ALA HA H 22 4.173 4.173 4.003 0.170 18223
93 1 1 . 1 1 31 31 ALA C C 22 179.540 179.540 179.538 0.002 18223
94 1 1 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.318 -1.110 18223
95 1 1 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.081 0.361 18223
96 1 1 . 1 1 31 31 ALA H H 22 7.819 7.819 8.170 -0.351 18223
97 1 1 . 1 1 32 32 SER N N 23 113.502 113.502 114.762 -1.260 18223
98 1 1 . 1 1 32 32 SER HA H 23 4.015 4.015 4.101 -0.086 18223
99 1 1 . 1 1 32 32 SER C C 23 175.890 175.890 177.099 -1.209 18223
100 1 1 . 1 1 32 32 SER CA C 23 60.490 60.490 61.643 -1.153 18223
101 1 1 . 1 1 32 32 SER CB C 23 63.510 63.510 62.746 0.764 18223
102 1 1 . 1 1 32 32 SER H H 23 7.826 7.826 8.345 -0.519 18223
103 1 1 . 1 1 33 33 GLY N N 24 109.939 109.939 108.804 1.135 18223
104 1 1 . 1 1 33 33 GLY C C 24 176.180 176.180 175.488 0.692 18223
105 1 1 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.789 -0.139 18223
106 1 1 . 1 1 33 33 GLY H H 24 7.985 7.985 8.440 -0.455 18223
107 1 1 . 1 1 34 34 GLY N N 25 109.396 109.396 110.204 -0.808 18223
108 1 1 . 1 1 34 34 GLY C C 25 175.330 175.330 176.179 -0.849 18223
109 1 1 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.987 -0.817 18223
110 1 1 . 1 1 34 34 GLY H H 25 8.235 8.235 7.830 0.405 18223
111 1 1 . 1 1 35 35 ILE N N 26 120.211 120.211 122.992 -2.781 18223
112 1 1 . 1 1 35 35 ILE C C 26 177.400 177.400 178.418 -1.018 18223
113 1 1 . 1 1 35 35 ILE CA C 26 63.830 63.830 63.163 0.667 18223
114 1 1 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.268 0.571 18223
115 1 1 . 1 1 35 35 ILE H H 26 7.998 7.998 8.128 -0.130 18223
116 1 1 . 1 1 36 36 ILE N N 27 120.051 120.051 119.622 0.429 18223
117 1 1 . 1 1 36 36 ILE C C 27 177.900 177.900 177.182 0.718 18223
118 1 1 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.860 -1.010 18223
119 1 1 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.687 -0.857 18223
120 1 1 . 1 1 36 36 ILE H H 27 7.998 7.998 8.392 -0.394 18223
121 1 1 . 1 1 37 37 GLY N N 28 107.531 107.531 107.230 0.301 18223
122 1 1 . 1 1 37 37 GLY C C 28 176.120 176.120 176.437 -0.317 18223
123 1 1 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.631 0.169 18223
124 1 1 . 1 1 37 37 GLY H H 28 7.983 7.983 7.458 0.525 18223
125 1 1 . 1 1 38 38 TYR N N 29 120.900 120.900 121.195 -0.295 18223
126 1 1 . 1 1 38 38 TYR C C 29 176.530 176.530 177.929 -1.399 18223
127 1 1 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.377 -0.647 18223
128 1 1 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.442 0.046 18223
129 1 1 . 1 1 38 38 TYR H H 29 7.726 7.726 8.076 -0.350 18223
130 1 1 . 1 1 39 39 VAL N N 30 117.958 117.958 115.440 2.518 18223
131 1 1 . 1 1 39 39 VAL C C 30 177.600 177.600 176.874 0.726 18223
132 1 1 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.408 -0.033 18223
133 1 1 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.432 -1.011 18223
134 1 1 . 1 1 39 39 VAL H H 30 7.849 7.849 8.473 -0.624 18223
135 1 1 . 1 1 40 40 LYS N N 31 120.116 120.116 116.311 3.805 18223
136 1 1 . 1 1 40 40 LYS C C 31 177.090 177.090 174.917 2.173 18223
137 1 1 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.036 -0.266 18223
138 1 1 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.764 0.451 18223
139 1 1 . 1 1 40 40 LYS H H 31 8.072 8.072 7.719 0.353 18223
140 1 1 . 1 1 41 41 ALA N N 32 122.082 122.082 120.519 1.563 18223
141 1 1 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.449 -0.208 18223
142 1 1 . 1 1 41 41 ALA C C 32 178.780 178.780 176.179 2.601 18223
143 1 1 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.867 1.393 18223
144 1 1 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.111 -0.382 18223
145 1 1 . 1 1 41 41 ALA H H 32 7.786 7.786 7.698 0.088 18223
146 1 1 . 1 1 42 42 GLY N N 33 106.746 106.746 107.120 -0.374 18223
147 1 1 . 1 1 42 42 GLY C C 33 174.790 174.790 174.232 0.558 18223
148 1 1 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.924 0.896 18223
149 1 1 . 1 1 42 42 GLY H H 33 7.964 7.964 8.125 -0.161 18223
150 1 1 . 1 1 43 43 SER N N 34 115.541 115.541 117.057 -1.516 18223
151 1 1 . 1 1 43 43 SER HA H 34 4.491 4.491 4.274 0.217 18223
152 1 1 . 1 1 43 43 SER C C 34 174.920 174.920 175.344 -0.424 18223
153 1 1 . 1 1 43 43 SER CA C 34 58.730 58.730 58.394 0.336 18223
154 1 1 . 1 1 43 43 SER CB C 34 63.798 63.798 63.474 0.324 18223
155 1 1 . 1 1 43 43 SER H H 34 8.049 8.049 8.124 -0.075 18223
156 1 1 . 1 1 44 44 VAL N N 35 121.887 121.887 126.613 -4.726 18223
157 1 1 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.983 -1.653 18223
158 1 1 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.920 -1.590 18223
159 1 1 . 1 1 44 44 VAL H H 35 8.332 8.332 8.619 -0.287 18223
160 1 1 . 1 1 46 46 SER N N 37 113.762 113.762 114.098 -0.336 18223
161 1 1 . 1 1 46 46 SER CA C 37 61.130 61.130 61.386 -0.256 18223
162 1 1 . 1 1 46 46 SER CB C 37 62.789 62.789 62.883 -0.094 18223
163 1 1 . 1 1 46 46 SER H H 37 7.924 7.924 8.098 -0.174 18223
164 1 1 . 1 1 47 47 LEU N N 38 124.450 124.450 121.803 2.647 18223
165 1 1 . 1 1 47 47 LEU C C 38 176.440 176.440 178.035 -1.595 18223
166 1 1 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.696 -0.336 18223
167 1 1 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.982 -0.177 18223
168 1 1 . 1 1 47 47 LEU H H 38 8.108 8.108 7.459 0.649 18223
169 1 1 . 1 1 48 48 ALA N N 39 121.290 121.290 120.480 0.810 18223
170 1 1 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.052 -0.442 18223
171 1 1 . 1 1 48 48 ALA H H 39 8.250 8.250 7.912 0.338 18223
172 1 1 . 1 1 49 49 ALA N N 40 120.070 120.070 119.474 0.596 18223
173 1 1 . 1 1 49 49 ALA C C 40 179.910 179.910 179.641 0.269 18223
174 1 1 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.869 0.241 18223
175 1 1 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.310 -0.229 18223
176 1 1 . 1 1 49 49 ALA H H 40 8.145 8.145 8.315 -0.170 18223
177 1 1 . 1 1 50 50 GLY N N 41 104.977 104.977 107.635 -2.658 18223
178 1 1 . 1 1 50 50 GLY C C 41 174.870 174.870 175.825 -0.955 18223
179 1 1 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.669 0.256 18223
180 1 1 . 1 1 50 50 GLY H H 41 8.103 8.103 7.909 0.194 18223
181 1 1 . 1 1 51 51 LEU N N 42 122.431 122.431 122.213 0.218 18223
182 1 1 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.634 -0.304 18223
183 1 1 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.161 -0.356 18223
184 1 1 . 1 1 51 51 LEU H H 42 7.796 7.796 7.879 -0.083 18223
185 1 1 . 1 1 52 52 LEU N N 43 119.483 119.483 120.274 -0.791 18223
186 1 1 . 1 1 52 52 LEU C C 43 179.910 179.910 179.567 0.343 18223
187 1 1 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.258 -0.487 18223
188 1 1 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.084 0.288 18223
189 1 1 . 1 1 52 52 LEU H H 43 7.862 7.862 8.083 -0.221 18223
190 1 1 . 1 1 53 53 PHE N N 44 117.117 117.117 118.159 -1.042 18223
191 1 1 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.270 0.101 18223
192 1 1 . 1 1 53 53 PHE C C 44 178.530 178.530 177.891 0.639 18223
193 1 1 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.040 -0.890 18223
194 1 1 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.575 -0.447 18223
195 1 1 . 1 1 53 53 PHE H H 44 8.343 8.343 8.456 -0.113 18223
196 1 1 . 1 1 54 54 GLY N N 45 107.605 107.605 107.885 -0.280 18223
197 1 1 . 1 1 54 54 GLY C C 45 176.400 176.400 175.531 0.869 18223
198 1 1 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.465 -0.715 18223
199 1 1 . 1 1 54 54 GLY H H 45 8.150 8.150 8.042 0.108 18223
200 1 1 . 1 1 55 55 SER N N 46 117.713 117.713 118.808 -1.095 18223
201 1 1 . 1 1 55 55 SER C C 46 176.130 176.130 176.648 -0.518 18223
202 1 1 . 1 1 55 55 SER CA C 46 61.240 61.240 61.765 -0.525 18223
203 1 1 . 1 1 55 55 SER CB C 46 63.294 63.294 62.817 0.477 18223
204 1 1 . 1 1 55 55 SER H H 46 7.942 7.942 8.043 -0.101 18223
205 1 1 . 1 1 56 56 LEU N N 47 121.618 121.618 122.403 -0.785 18223
206 1 1 . 1 1 56 56 LEU C C 47 178.510 178.510 177.965 0.545 18223
207 1 1 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.234 -1.474 18223
208 1 1 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.477 -0.321 18223
209 1 1 . 1 1 56 56 LEU H H 47 7.910 7.910 8.000 -0.090 18223
210 1 1 . 1 1 57 57 ALA N N 48 121.557 121.557 120.699 0.858 18223
211 1 1 . 1 1 57 57 ALA C C 48 180.040 180.040 179.847 0.193 18223
212 1 1 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.013 -0.463 18223
213 1 1 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.764 0.317 18223
214 1 1 . 1 1 57 57 ALA H H 48 7.878 7.878 7.782 0.096 18223
215 1 1 . 1 1 58 58 GLY N N 49 106.435 106.435 107.669 -1.234 18223
216 1 1 . 1 1 58 58 GLY C C 49 175.740 175.740 175.435 0.305 18223
217 1 1 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.704 -0.424 18223
218 1 1 . 1 1 58 58 GLY H H 49 8.085 8.085 8.062 0.023 18223
219 1 1 . 1 1 59 59 LEU N N 50 121.230 121.230 122.158 -0.928 18223
220 1 1 . 1 1 59 59 LEU C C 50 178.390 178.390 180.067 -1.677 18223
221 1 1 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.834 -1.404 18223
222 1 1 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.046 0.615 18223
223 1 1 . 1 1 59 59 LEU H H 50 7.770 7.770 8.260 -0.490 18223
224 1 1 . 1 1 60 60 GLY N N 51 106.525 106.525 106.351 0.174 18223
225 1 1 . 1 1 60 60 GLY C C 51 174.820 174.820 175.551 -0.731 18223
226 1 1 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.120 -0.830 18223
227 1 1 . 1 1 60 60 GLY H H 51 8.090 8.090 7.744 0.346 18223
228 1 1 . 1 1 61 61 ALA N N 52 122.773 122.773 124.682 -1.909 18223
229 1 1 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.116 -0.014 18223
230 1 1 . 1 1 61 61 ALA C C 52 178.320 178.320 177.235 1.085 18223
231 1 1 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.844 -0.424 18223
232 1 1 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.365 -0.923 18223
233 1 1 . 1 1 61 61 ALA H H 52 7.819 7.819 7.681 0.138 18223
234 1 1 . 1 1 62 62 TYR N N 53 118.481 118.481 111.260 7.221 18223
235 1 1 . 1 1 62 62 TYR C C 53 176.390 176.390 173.638 2.752 18223
236 1 1 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.100 2.900 18223
237 1 1 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.257 2.087 18223
238 1 1 . 1 1 62 62 TYR H H 53 7.794 7.794 7.065 0.729 18223
239 1 1 . 1 1 63 63 GLN N N 54 120.770 120.770 122.220 -1.450 18223
240 1 1 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.625 -0.065 18223
241 1 1 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.421 -2.773 18223
242 1 1 . 1 1 63 63 GLN H H 54 8.033 8.033 8.315 -0.282 18223
243 1 1 . 1 1 64 64 LEU N N 55 121.847 121.847 119.243 2.604 18223
244 1 1 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.607 -0.437 18223
245 1 1 . 1 1 64 64 LEU C C 55 177.790 177.790 175.047 2.743 18223
246 1 1 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.922 0.088 18223
247 1 1 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.673 -0.868 18223
248 1 1 . 1 1 64 64 LEU H H 55 8.018 8.018 7.811 0.207 18223
249 1 1 . 1 1 65 65 SER N N 56 113.937 113.937 118.705 -4.768 18223
250 1 1 . 1 1 65 65 SER C C 56 174.710 174.710 173.418 1.292 18223
251 1 1 . 1 1 65 65 SER CA C 56 59.050 59.050 58.998 0.052 18223
252 1 1 . 1 1 65 65 SER CB C 56 63.554 63.554 64.562 -1.008 18223
253 1 1 . 1 1 65 65 SER H H 56 7.892 7.892 8.745 -0.853 18223
254 1 1 . 1 1 66 66 GLN N N 57 120.154 120.154 122.707 -2.553 18223
255 1 1 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.522 -0.279 18223
256 1 1 . 1 1 66 66 GLN C C 57 175.760 175.760 174.373 1.387 18223
257 1 1 . 1 1 66 66 GLN CA C 57 55.650 55.650 54.694 0.956 18223
258 1 1 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.509 0.039 18223
259 1 1 . 1 1 66 66 GLN H H 57 7.625 7.625 7.754 -0.129 18223
260 1 1 . 1 1 67 67 ASP N N 58 120.090 120.090 125.826 -5.736 18223
261 1 1 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.711 -2.711 18223
262 1 1 . 1 1 67 67 ASP H H 58 8.000 8.000 8.576 -0.576 18223
263 1 1 . 1 1 68 68 PRO C C 59 177.890 177.890 178.819 -0.929 18223
264 1 1 . 1 1 69 69 ARG N N 60 117.806 117.806 119.878 -2.072 18223
265 1 1 . 1 1 69 69 ARG C C 60 178.330 178.330 178.523 -0.193 18223
266 1 1 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.570 -1.675 18223
267 1 1 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.912 -0.710 18223
268 1 1 . 1 1 69 69 ARG H H 60 8.402 8.402 8.536 -0.134 18223
269 1 1 . 1 1 70 70 ASN N N 61 116.920 116.920 116.818 0.102 18223
270 1 1 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.487 -1.187 18223
271 1 1 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.528 0.539 18223
272 1 1 . 1 1 70 70 ASN H H 61 7.930 7.930 8.420 -0.490 18223
273 1 1 . 1 1 71 71 VAL N N 62 120.795 120.795 117.611 3.184 18223
274 1 1 . 1 1 71 71 VAL CA C 62 65.927 65.927 65.484 0.443 18223
275 1 1 . 1 1 71 71 VAL CB C 62 30.994 30.994 30.902 0.092 18223
276 1 1 . 1 1 71 71 VAL H H 62 7.783 7.783 7.565 0.218 18223
277 1 1 . 1 1 72 72 TRP N N 63 120.550 120.550 122.481 -1.931 18223
278 1 1 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.307 0.110 18223
279 1 1 . 1 1 72 72 TRP C C 63 177.850 177.850 178.375 -0.525 18223
280 1 1 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.343 -2.213 18223
281 1 1 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.316 -0.003 18223
282 1 1 . 1 1 72 72 TRP H H 63 7.760 7.760 7.741 0.019 18223
283 1 1 . 1 1 73 73 VAL N N 64 117.896 117.896 118.422 -0.526 18223
284 1 1 . 1 1 73 73 VAL C C 64 179.270 179.270 178.065 1.205 18223
285 1 1 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.531 -0.001 18223
286 1 1 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.220 0.088 18223
287 1 1 . 1 1 73 73 VAL H H 64 7.905 7.905 8.627 -0.722 18223
288 1 1 . 1 1 74 74 PHE N N 65 122.086 122.086 119.185 2.901 18223
289 1 1 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.312 -0.087 18223
290 1 1 . 1 1 74 74 PHE C C 65 177.760 177.760 177.718 0.042 18223
291 1 1 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.612 -0.322 18223
292 1 1 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.635 -0.075 18223
293 1 1 . 1 1 74 74 PHE H H 65 7.857 7.857 8.088 -0.231 18223
294 1 1 . 1 1 75 75 LEU N N 66 121.304 121.304 121.504 -0.200 18223
295 1 1 . 1 1 75 75 LEU C C 66 179.060 179.060 178.757 0.303 18223
296 1 1 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.527 -0.727 18223
297 1 1 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.750 -0.450 18223
298 1 1 . 1 1 75 75 LEU H H 66 8.326 8.326 8.344 -0.018 18223
299 1 1 . 1 1 76 76 ALA N N 67 120.420 120.420 120.121 0.299 18223
300 1 1 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.869 0.527 18223
301 1 1 . 1 1 76 76 ALA C C 67 180.180 180.180 179.323 0.857 18223
302 1 1 . 1 1 76 76 ALA CA C 67 54.590 54.590 54.936 -0.346 18223
303 1 1 . 1 1 76 76 ALA H H 67 8.283 8.283 8.024 0.259 18223
304 1 1 . 1 1 77 77 THR N N 68 111.152 111.152 115.977 -4.825 18223
305 1 1 . 1 1 77 77 THR C C 68 175.830 175.830 176.738 -0.908 18223
306 1 1 . 1 1 77 77 THR CA C 68 64.159 64.159 67.536 -3.377 18223
307 1 1 . 1 1 77 77 THR CB C 68 69.711 69.711 68.562 1.149 18223
308 1 1 . 1 1 77 77 THR H H 68 7.951 7.951 7.988 -0.037 18223
309 1 1 . 1 1 78 78 SER N N 69 117.883 117.883 116.284 1.599 18223
310 1 1 . 1 1 78 78 SER C C 69 176.000 176.000 177.294 -1.294 18223
311 1 1 . 1 1 78 78 SER CA C 69 60.730 60.730 61.305 -0.575 18223
312 1 1 . 1 1 78 78 SER H H 69 7.839 7.839 8.155 -0.316 18223
313 1 1 . 1 1 79 79 GLY N N 70 111.078 111.078 110.541 0.537 18223
314 1 1 . 1 1 79 79 GLY C C 70 175.830 175.830 175.851 -0.021 18223
315 1 1 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.588 -0.878 18223
316 1 1 . 1 1 79 79 GLY H H 70 8.269 8.269 8.180 0.089 18223
317 1 1 . 1 1 80 80 THR N N 71 117.727 117.727 118.369 -0.642 18223
318 1 1 . 1 1 80 80 THR C C 71 176.110 176.110 176.691 -0.581 18223
319 1 1 . 1 1 80 80 THR CA C 71 66.178 66.178 66.037 0.141 18223
320 1 1 . 1 1 80 80 THR CB C 71 68.630 68.630 68.768 -0.138 18223
321 1 1 . 1 1 80 80 THR H H 71 7.823 7.823 7.849 -0.026 18223
322 1 1 . 1 1 81 81 LEU N N 72 121.422 121.422 121.875 -0.453 18223
323 1 1 . 1 1 81 81 LEU C C 72 178.620 178.620 178.314 0.306 18223
324 1 1 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.749 -1.060 18223
325 1 1 . 1 1 81 81 LEU H H 72 7.846 7.846 8.171 -0.325 18223
326 1 1 . 1 1 82 82 ALA N N 73 121.160 121.160 118.773 2.387 18223
327 1 1 . 1 1 82 82 ALA C C 73 180.440 180.440 179.924 0.516 18223
328 1 1 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.087 1.093 18223
329 1 1 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.861 -0.996 18223
330 1 1 . 1 1 82 82 ALA H H 73 8.050 8.050 8.188 -0.138 18223
331 1 1 . 1 1 83 83 GLY N N 74 106.017 106.017 109.109 -3.092 18223
332 1 1 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.889 0.121 18223
333 1 1 . 1 1 83 83 GLY H H 74 8.132 8.132 7.832 0.300 18223
334 1 1 . 1 1 84 84 ILE N N 75 122.030 122.030 120.125 1.905 18223
335 1 1 . 1 1 84 84 ILE C C 75 178.530 178.530 176.429 2.101 18223
336 1 1 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.950 0.780 18223
337 1 1 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.422 -0.655 18223
338 1 1 . 1 1 84 84 ILE H H 75 7.930 7.930 7.962 -0.032 18223
339 1 1 . 1 1 85 85 MET N N 76 117.920 117.920 117.282 0.638 18223
340 1 1 . 1 1 85 85 MET CA C 76 57.810 57.810 53.870 3.941 18223
341 1 1 . 1 1 85 85 MET H H 76 8.140 8.140 8.051 0.089 18223
342 1 1 . 1 1 86 86 GLY N N 77 109.118 109.118 104.634 4.484 18223
343 1 1 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.248 1.522 18223
344 1 1 . 1 1 86 86 GLY H H 77 7.920 7.920 8.117 -0.197 18223
345 1 1 . 1 1 87 87 MET N N 78 119.220 119.220 117.324 1.896 18223
346 1 1 . 1 1 87 87 MET CA C 78 55.810 55.810 58.140 -2.330 18223
347 1 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.490 -0.540 18223
348 1 1 . 1 1 88 88 ARG N N 79 120.090 120.090 117.232 2.858 18223
349 1 1 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.476 -4.476 18223
350 1 1 . 1 1 88 88 ARG H H 79 8.000 8.000 8.404 -0.404 18223
351 1 1 . 1 1 90 90 TYR C C 81 176.310 176.310 174.464 1.846 18223
352 1 1 . 1 1 91 91 HIS N N 82 118.270 118.270 120.899 -2.629 18223
353 1 1 . 1 1 91 91 HIS C C 82 174.940 174.940 174.302 0.638 18223
354 1 1 . 1 1 91 91 HIS CA C 82 55.850 55.850 57.095 -1.245 18223
355 1 1 . 1 1 91 91 HIS H H 82 8.130 8.130 8.612 -0.482 18223
356 1 1 . 1 1 92 92 SER N N 83 115.818 115.818 115.349 0.469 18223
357 1 1 . 1 1 92 92 SER C C 83 175.470 175.470 173.809 1.661 18223
358 1 1 . 1 1 92 92 SER CA C 83 59.430 59.430 58.128 1.302 18223
359 1 1 . 1 1 92 92 SER CB C 83 63.870 63.870 63.289 0.581 18223
360 1 1 . 1 1 92 92 SER H H 83 8.007 8.007 9.085 -1.078 18223
361 1 1 . 1 1 93 93 GLY N N 84 110.518 110.518 109.132 1.386 18223
362 1 1 . 1 1 93 93 GLY C C 84 174.740 174.740 173.399 1.341 18223
363 1 1 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.820 1.110 18223
364 1 1 . 1 1 93 93 GLY H H 84 8.099 8.099 8.279 -0.180 18223
365 1 1 . 1 1 94 94 LYS N N 85 120.088 120.088 122.271 -2.183 18223
366 1 1 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.403 0.040 18223
367 1 1 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.858 -0.499 18223
368 1 1 . 1 1 94 94 LYS H H 85 7.810 7.810 7.967 -0.157 18223
369 1 1 . 1 1 95 95 PHE N N 86 118.766 118.766 114.940 3.826 18223
370 1 1 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.522 -0.712 18223
371 1 1 . 1 1 95 95 PHE CB C 86 39.281 39.281 36.949 2.332 18223
372 1 1 . 1 1 95 95 PHE H H 86 7.911 7.911 7.886 0.025 18223
373 1 1 . 1 1 96 96 MET N N 87 120.600 120.600 119.928 0.672 18223
374 1 1 . 1 1 96 96 MET CA C 87 53.150 53.150 57.191 -4.041 18223
375 1 1 . 1 1 96 96 MET H H 87 7.670 7.670 7.937 -0.267 18223
376 1 1 . 1 1 97 97 PRO C C 88 176.820 176.820 177.040 -0.220 18223
377 1 1 . 1 1 98 98 ALA N N 89 124.300 124.300 121.665 2.635 18223
378 1 1 . 1 1 98 98 ALA C C 89 179.480 179.480 177.469 2.011 18223
379 1 1 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.211 1.179 18223
380 1 1 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.901 -1.099 18223
381 1 1 . 1 1 98 98 ALA H H 89 8.302 8.302 7.980 0.322 18223
382 1 1 . 1 1 99 99 GLY N N 90 107.011 107.011 107.682 -0.671 18223
383 1 1 . 1 1 99 99 GLY C C 90 174.920 174.920 173.924 0.996 18223
384 1 1 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.761 1.119 18223
385 1 1 . 1 1 99 99 GLY H H 90 8.341 8.341 7.773 0.568 18223
386 1 1 . 1 1 100 100 LEU N N 91 120.873 120.873 124.111 -3.238 18223
387 1 1 . 1 1 100 100 LEU C C 91 177.250 177.250 178.178 -0.928 18223
388 1 1 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.351 -1.251 18223
389 1 1 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.515 -0.421 18223
390 1 1 . 1 1 100 100 LEU H H 91 7.732 7.732 8.139 -0.407 18223
391 1 1 . 1 1 101 101 ILE N N 92 118.245 118.245 119.919 -1.674 18223
392 1 1 . 1 1 101 101 ILE C C 92 177.130 177.130 177.279 -0.149 18223
393 1 1 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.305 -3.391 18223
394 1 1 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.682 1.446 18223
395 1 1 . 1 1 101 101 ILE H H 92 7.668 7.668 8.317 -0.649 18223
396 1 1 . 1 1 102 102 ALA N N 93 127.523 127.523 121.906 5.617 18223
397 1 1 . 1 1 102 102 ALA C C 93 179.370 179.370 179.706 -0.336 18223
398 1 1 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.484 -2.646 18223
399 1 1 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.796 1.224 18223
400 1 1 . 1 1 102 102 ALA H H 93 8.110 8.110 8.472 -0.362 18223
401 1 1 . 1 1 103 103 GLY N N 94 109.013 109.013 107.454 1.559 18223
402 1 1 . 1 1 103 103 GLY C C 94 175.290 175.290 175.986 -0.696 18223
403 1 1 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.010 -1.590 18223
404 1 1 . 1 1 103 103 GLY H H 94 8.180 8.180 7.917 0.263 18223
405 1 1 . 1 1 104 104 ALA N N 95 123.130 123.130 124.420 -1.290 18223
406 1 1 . 1 1 104 104 ALA C C 95 180.040 180.040 179.732 0.308 18223
407 1 1 . 1 1 104 104 ALA H H 95 8.230 8.230 8.427 -0.197 18223
408 1 1 . 1 1 105 105 SER N N 96 114.606 114.606 114.826 -0.220 18223
409 1 1 . 1 1 105 105 SER C C 96 176.140 176.140 176.615 -0.475 18223
410 1 1 . 1 1 105 105 SER H H 96 7.915 7.915 8.074 -0.159 18223
411 1 1 . 1 1 106 106 LEU N N 97 122.651 122.651 122.703 -0.052 18223
412 1 1 . 1 1 106 106 LEU C C 97 179.140 179.140 177.948 1.192 18223
413 1 1 . 1 1 106 106 LEU H H 97 8.066 8.066 7.980 0.086 18223
414 1 1 . 1 1 108 108 MET N N 99 118.381 118.381 118.402 -0.021 18223
415 1 1 . 1 1 108 108 MET C C 99 178.830 178.830 178.346 0.484 18223
416 1 1 . 1 1 108 108 MET CA C 99 58.730 58.730 59.793 -1.063 18223
417 1 1 . 1 1 108 108 MET H H 99 7.682 7.682 8.259 -0.577 18223
418 1 1 . 1 1 109 109 VAL N N 100 118.713 118.713 119.398 -0.685 18223
419 1 1 . 1 1 109 109 VAL C C 100 177.930 177.930 177.671 0.259 18223
420 1 1 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.499 -0.269 18223
421 1 1 . 1 1 109 109 VAL H H 100 7.821 7.821 8.092 -0.271 18223
422 1 1 . 1 1 110 110 ALA N N 101 122.160 122.160 121.197 0.963 18223
423 1 1 . 1 1 110 110 ALA C C 101 180.470 180.470 179.297 1.173 18223
424 1 1 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.258 0.082 18223
425 1 1 . 1 1 110 110 ALA H H 101 8.110 8.110 8.012 0.098 18223
426 1 1 . 1 1 111 111 LYS N N 102 120.260 120.260 119.266 0.994 18223
427 1 1 . 1 1 111 111 LYS C C 102 177.490 177.490 178.719 -1.229 18223
428 1 1 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.280 -1.790 18223
429 1 1 . 1 1 111 111 LYS H H 102 7.870 7.870 7.797 0.073 18223
430 1 1 . 1 1 112 112 VAL N N 103 120.410 120.410 116.914 3.496 18223
431 1 1 . 1 1 112 112 VAL C C 103 176.240 176.240 177.370 -1.130 18223
432 1 1 . 1 1 112 112 VAL CA C 103 65.720 65.720 64.918 0.802 18223
433 1 1 . 1 1 112 112 VAL H H 103 7.990 7.990 7.908 0.082 18223
434 1 1 . 1 1 113 113 GLY N N 104 108.926 108.926 108.588 0.338 18223
435 1 1 . 1 1 113 113 GLY C C 104 175.150 175.150 174.503 0.647 18223
436 1 1 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.295 1.355 18223
437 1 1 . 1 1 113 113 GLY H H 104 8.477 8.477 7.843 0.633 18223
438 1 1 . 1 1 114 114 VAL N N 105 119.350 119.350 115.478 3.872 18223
439 1 1 . 1 1 114 114 VAL C C 105 178.390 178.390 174.572 3.818 18223
440 1 1 . 1 1 114 114 VAL CA C 105 66.140 66.140 61.986 4.154 18223
441 1 1 . 1 1 114 114 VAL H H 105 8.310 8.310 8.178 0.132 18223
442 1 1 . 1 1 115 115 SER N N 106 115.964 115.964 120.098 -4.134 18223
443 1 1 . 1 1 115 115 SER C C 106 177.250 177.250 173.438 3.812 18223
444 1 1 . 1 1 115 115 SER CA C 106 61.130 61.130 58.334 2.796 18223
445 1 1 . 1 1 115 115 SER H H 106 7.815 7.815 8.390 -0.575 18223
446 1 1 . 1 1 116 116 MET N N 107 120.190 120.190 124.797 -4.607 18223
447 1 1 . 1 1 116 116 MET C C 107 177.190 177.190 175.243 1.947 18223
448 1 1 . 1 1 116 116 MET CA C 107 57.450 57.450 56.672 0.778 18223
449 1 1 . 1 1 116 116 MET H H 107 7.820 7.820 8.421 -0.601 18223
450 1 1 . 1 1 117 117 PHE N N 108 117.325 117.325 125.678 -8.353 18223
451 1 1 . 1 1 117 117 PHE C C 108 175.740 175.740 173.598 2.142 18223
452 1 1 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.365 1.504 18223
453 1 1 . 1 1 117 117 PHE H H 108 7.735 7.735 8.190 -0.455 18223
454 1 1 . 1 1 118 118 ASN N N 109 118.878 118.878 123.013 -4.135 18223
455 1 1 . 1 1 118 118 ASN C C 109 174.830 174.830 173.451 1.379 18223
456 1 1 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.442 0.618 18223
457 1 1 . 1 1 118 118 ASN CB C 109 39.065 39.065 40.551 -1.486 18223
458 1 1 . 1 1 118 118 ASN H H 109 7.907 7.907 7.860 0.047 18223
459 1 1 . 1 1 119 119 ARG N N 110 122.870 122.870 122.265 0.605 18223
460 1 1 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.611 -1.461 18223
461 1 1 . 1 1 119 119 ARG H H 110 7.894 7.894 8.112 -0.218 18223
462 1 1 . 1 1 120 120 PRO C C 111 176.590 176.590 176.284 0.306 18223
463 1 2 . 1 1 11 11 GLN C C 2 176.170 176.170 175.893 0.277 18223
464 1 2 . 1 1 12 12 ASP N N 3 120.369 120.369 116.439 3.930 18223
465 1 2 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.468 -0.318 18223
466 1 2 . 1 1 12 12 ASP C C 3 176.980 176.980 174.922 2.058 18223
467 1 2 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.209 0.628 18223
468 1 2 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.321 -0.525 18223
469 1 2 . 1 1 12 12 ASP H H 3 8.275 8.275 8.055 0.220 18223
470 1 2 . 1 1 13 13 THR N N 4 114.220 114.220 112.770 1.450 18223
471 1 2 . 1 1 13 13 THR HA H 4 4.636 4.636 4.178 0.458 18223
472 1 2 . 1 1 13 13 THR C C 4 175.530 175.530 175.030 0.500 18223
473 1 2 . 1 1 13 13 THR CA C 4 62.790 62.790 63.075 -0.285 18223
474 1 2 . 1 1 13 13 THR CB C 4 69.134 69.134 69.462 -0.328 18223
475 1 2 . 1 1 13 13 THR H H 4 7.990 7.990 7.974 0.016 18223
476 1 2 . 1 1 14 14 SER N N 5 117.664 117.664 121.101 -3.437 18223
477 1 2 . 1 1 14 14 SER HA H 5 4.296 4.296 4.232 0.064 18223
478 1 2 . 1 1 14 14 SER C C 5 175.200 175.200 175.171 0.029 18223
479 1 2 . 1 1 14 14 SER CA C 5 59.443 59.443 59.344 0.099 18223
480 1 2 . 1 1 14 14 SER CB C 5 63.438 63.438 62.511 0.927 18223
481 1 2 . 1 1 14 14 SER H H 5 8.255 8.255 8.666 -0.411 18223
482 1 2 . 1 1 15 15 SER N N 6 117.093 117.093 120.060 -2.967 18223
483 1 2 . 1 1 15 15 SER HA H 6 4.317 4.317 4.226 0.091 18223
484 1 2 . 1 1 15 15 SER C C 6 174.770 174.770 175.518 -0.748 18223
485 1 2 . 1 1 15 15 SER CA C 6 58.737 58.737 60.910 -2.173 18223
486 1 2 . 1 1 15 15 SER CB C 6 63.656 63.656 63.061 0.595 18223
487 1 2 . 1 1 15 15 SER H H 6 8.050 8.050 8.668 -0.618 18223
488 1 2 . 1 1 16 16 VAL N N 7 119.995 119.995 121.688 -1.693 18223
489 1 2 . 1 1 16 16 VAL C C 7 176.150 176.150 175.888 0.262 18223
490 1 2 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.312 -0.569 18223
491 1 2 . 1 1 16 16 VAL CB C 7 32.215 32.215 31.693 0.522 18223
492 1 2 . 1 1 16 16 VAL H H 7 7.775 7.775 7.724 0.051 18223
493 1 2 . 1 1 17 17 VAL N N 8 121.090 121.090 120.820 0.270 18223
494 1 2 . 1 1 17 17 VAL CA C 8 60.910 60.910 61.580 -0.670 18223
495 1 2 . 1 1 17 17 VAL H H 8 7.730 7.730 7.713 0.017 18223
496 1 2 . 1 1 18 18 PRO C C 9 178.410 178.410 177.895 0.515 18223
497 1 2 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.786 1.724 18223
498 1 2 . 1 1 19 19 LEU N N 10 121.410 121.410 123.393 -1.983 18223
499 1 2 . 1 1 19 19 LEU C C 10 178.910 178.910 178.882 0.028 18223
500 1 2 . 1 1 19 19 LEU CA C 10 56.850 56.850 60.053 -3.203 18223
501 1 2 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.763 -0.318 18223
502 1 2 . 1 1 19 19 LEU H H 10 7.930 7.930 8.686 -0.756 18223
503 1 2 . 1 1 20 20 HIS N N 11 116.900 116.900 116.853 0.047 18223
504 1 2 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.332 0.299 18223
505 1 2 . 1 1 20 20 HIS C C 11 174.990 174.990 177.455 -2.465 18223
506 1 2 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.462 -3.462 18223
507 1 2 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.458 -1.498 18223
508 1 2 . 1 1 20 20 HIS H H 11 8.384 8.384 8.583 -0.199 18223
509 1 2 . 1 1 21 21 TRP C C 12 177.660 177.660 178.780 -1.120 18223
510 1 2 . 1 1 22 22 PHE N N 13 119.238 119.238 118.735 0.503 18223
511 1 2 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.195 0.093 18223
512 1 2 . 1 1 22 22 PHE C C 13 177.410 177.410 178.061 -0.651 18223
513 1 2 . 1 1 22 22 PHE CA C 13 60.698 60.698 61.622 -0.924 18223
514 1 2 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.422 -0.078 18223
515 1 2 . 1 1 22 22 PHE H H 13 7.883 7.883 8.834 -0.951 18223
516 1 2 . 1 1 23 23 GLY N N 14 107.209 107.209 106.536 0.673 18223
517 1 2 . 1 1 23 23 GLY C C 14 176.220 176.220 176.294 -0.074 18223
518 1 2 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.303 -0.223 18223
519 1 2 . 1 1 23 23 GLY H H 14 7.911 7.911 8.311 -0.400 18223
520 1 2 . 1 1 24 24 PHE N N 15 121.880 121.880 122.759 -0.879 18223
521 1 2 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.265 0.148 18223
522 1 2 . 1 1 24 24 PHE C C 15 177.840 177.840 178.086 -0.246 18223
523 1 2 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.190 -1.100 18223
524 1 2 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.855 -0.006 18223
525 1 2 . 1 1 24 24 PHE H H 15 7.900 7.900 8.453 -0.553 18223
526 1 2 . 1 1 25 25 GLY N N 16 107.640 107.640 107.956 -0.316 18223
527 1 2 . 1 1 25 25 GLY C C 16 174.910 174.910 176.125 -1.215 18223
528 1 2 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.348 -0.018 18223
529 1 2 . 1 1 25 25 GLY H H 16 8.320 8.320 8.835 -0.515 18223
530 1 2 . 1 1 26 26 TYR N N 17 121.804 121.804 122.861 -1.057 18223
531 1 2 . 1 1 26 26 TYR C C 17 177.120 177.120 177.796 -0.676 18223
532 1 2 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.673 -0.003 18223
533 1 2 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.286 0.115 18223
534 1 2 . 1 1 26 26 TYR H H 17 8.365 8.365 8.320 0.045 18223
535 1 2 . 1 1 27 27 ALA N N 18 120.785 120.785 120.890 -0.105 18223
536 1 2 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.952 -0.069 18223
537 1 2 . 1 1 27 27 ALA C C 18 178.790 178.790 179.341 -0.551 18223
538 1 2 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.111 -0.071 18223
539 1 2 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.927 -0.206 18223
540 1 2 . 1 1 27 27 ALA H H 18 7.949 7.949 8.291 -0.342 18223
541 1 2 . 1 1 28 28 ALA N N 19 120.210 120.210 121.032 -0.822 18223
542 1 2 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.866 -0.016 18223
543 1 2 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.182 -0.461 18223
544 1 2 . 1 1 28 28 ALA H H 19 7.870 7.870 8.352 -0.482 18223
545 1 2 . 1 1 29 29 LEU N N 20 120.090 120.090 120.090 0.000 18223
546 1 2 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.003 -6.003 18223
547 1 2 . 1 1 29 29 LEU H H 20 8.000 8.000 7.979 0.021 18223
548 1 2 . 1 1 30 30 VAL N N 21 118.299 118.299 119.561 -1.262 18223
549 1 2 . 1 1 30 30 VAL C C 21 178.920 178.920 178.101 0.819 18223
550 1 2 . 1 1 30 30 VAL CA C 21 65.620 65.620 67.250 -1.630 18223
551 1 2 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.539 -0.262 18223
552 1 2 . 1 1 30 30 VAL H H 21 7.947 7.947 8.147 -0.200 18223
553 1 2 . 1 1 31 31 ALA N N 22 122.600 122.600 120.185 2.415 18223
554 1 2 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.939 0.234 18223
555 1 2 . 1 1 31 31 ALA C C 22 179.540 179.540 179.559 -0.019 18223
556 1 2 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.411 -1.203 18223
557 1 2 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.009 0.433 18223
558 1 2 . 1 1 31 31 ALA H H 22 7.819 7.819 8.164 -0.345 18223
559 1 2 . 1 1 32 32 SER N N 23 113.502 113.502 116.159 -2.657 18223
560 1 2 . 1 1 32 32 SER HA H 23 4.015 4.015 4.015 0.000 18223
561 1 2 . 1 1 32 32 SER C C 23 175.890 175.890 176.838 -0.948 18223
562 1 2 . 1 1 32 32 SER CA C 23 60.490 60.490 61.973 -1.483 18223
563 1 2 . 1 1 32 32 SER CB C 23 63.510 63.510 62.527 0.983 18223
564 1 2 . 1 1 32 32 SER H H 23 7.826 7.826 8.283 -0.457 18223
565 1 2 . 1 1 33 33 GLY N N 24 109.939 109.939 108.390 1.549 18223
566 1 2 . 1 1 33 33 GLY C C 24 176.180 176.180 175.478 0.702 18223
567 1 2 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.797 -0.147 18223
568 1 2 . 1 1 33 33 GLY H H 24 7.985 7.985 8.613 -0.628 18223
569 1 2 . 1 1 34 34 GLY N N 25 109.396 109.396 110.402 -1.006 18223
570 1 2 . 1 1 34 34 GLY C C 25 175.330 175.330 176.017 -0.687 18223
571 1 2 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.680 -0.510 18223
572 1 2 . 1 1 34 34 GLY H H 25 8.235 8.235 8.062 0.173 18223
573 1 2 . 1 1 35 35 ILE N N 26 120.211 120.211 120.131 0.080 18223
574 1 2 . 1 1 35 35 ILE C C 26 177.400 177.400 178.269 -0.869 18223
575 1 2 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.861 -1.031 18223
576 1 2 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.886 -0.047 18223
577 1 2 . 1 1 35 35 ILE H H 26 7.998 7.998 8.052 -0.054 18223
578 1 2 . 1 1 36 36 ILE N N 27 120.051 120.051 119.717 0.334 18223
579 1 2 . 1 1 36 36 ILE C C 27 177.900 177.900 178.043 -0.143 18223
580 1 2 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.090 -0.240 18223
581 1 2 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.042 0.788 18223
582 1 2 . 1 1 36 36 ILE H H 27 7.998 7.998 8.818 -0.820 18223
583 1 2 . 1 1 37 37 GLY N N 28 107.531 107.531 107.989 -0.458 18223
584 1 2 . 1 1 37 37 GLY C C 28 176.120 176.120 176.760 -0.640 18223
585 1 2 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.613 0.187 18223
586 1 2 . 1 1 37 37 GLY H H 28 7.983 7.983 7.582 0.401 18223
587 1 2 . 1 1 38 38 TYR N N 29 120.900 120.900 121.906 -1.006 18223
588 1 2 . 1 1 38 38 TYR C C 29 176.530 176.530 177.333 -0.803 18223
589 1 2 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.628 -0.898 18223
590 1 2 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.572 -0.084 18223
591 1 2 . 1 1 38 38 TYR H H 29 7.726 7.726 8.079 -0.353 18223
592 1 2 . 1 1 39 39 VAL N N 30 117.958 117.958 114.145 3.813 18223
593 1 2 . 1 1 39 39 VAL C C 30 177.600 177.600 177.125 0.475 18223
594 1 2 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.100 0.275 18223
595 1 2 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.053 -0.632 18223
596 1 2 . 1 1 39 39 VAL H H 30 7.849 7.849 8.057 -0.208 18223
597 1 2 . 1 1 40 40 LYS N N 31 120.116 120.116 116.323 3.793 18223
598 1 2 . 1 1 40 40 LYS C C 31 177.090 177.090 175.265 1.825 18223
599 1 2 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.268 -0.498 18223
600 1 2 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.752 0.463 18223
601 1 2 . 1 1 40 40 LYS H H 31 8.072 8.072 8.194 -0.122 18223
602 1 2 . 1 1 41 41 ALA N N 32 122.082 122.082 120.580 1.502 18223
603 1 2 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.438 -0.197 18223
604 1 2 . 1 1 41 41 ALA C C 32 178.780 178.780 176.119 2.661 18223
605 1 2 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.867 1.393 18223
606 1 2 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.140 -0.410 18223
607 1 2 . 1 1 41 41 ALA H H 32 7.786 7.786 7.957 -0.171 18223
608 1 2 . 1 1 42 42 GLY N N 33 106.746 106.746 106.967 -0.221 18223
609 1 2 . 1 1 42 42 GLY C C 33 174.790 174.790 174.153 0.637 18223
610 1 2 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.163 0.657 18223
611 1 2 . 1 1 42 42 GLY H H 33 7.964 7.964 8.345 -0.381 18223
612 1 2 . 1 1 43 43 SER N N 34 115.541 115.541 116.226 -0.685 18223
613 1 2 . 1 1 43 43 SER HA H 34 4.491 4.491 4.298 0.193 18223
614 1 2 . 1 1 43 43 SER C C 34 174.920 174.920 175.353 -0.433 18223
615 1 2 . 1 1 43 43 SER CA C 34 58.730 58.730 58.351 0.379 18223
616 1 2 . 1 1 43 43 SER CB C 34 63.798 63.798 63.768 0.030 18223
617 1 2 . 1 1 43 43 SER H H 34 8.049 8.049 7.880 0.169 18223
618 1 2 . 1 1 44 44 VAL N N 35 121.887 121.887 127.715 -5.828 18223
619 1 2 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.615 -1.285 18223
620 1 2 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.892 -1.562 18223
621 1 2 . 1 1 44 44 VAL H H 35 8.332 8.332 8.595 -0.263 18223
622 1 2 . 1 1 46 46 SER N N 37 113.762 113.762 114.377 -0.615 18223
623 1 2 . 1 1 46 46 SER CA C 37 61.130 61.130 61.380 -0.250 18223
624 1 2 . 1 1 46 46 SER CB C 37 62.789 62.789 62.876 -0.087 18223
625 1 2 . 1 1 46 46 SER H H 37 7.924 7.924 8.232 -0.308 18223
626 1 2 . 1 1 47 47 LEU N N 38 124.450 124.450 121.486 2.964 18223
627 1 2 . 1 1 47 47 LEU C C 38 176.440 176.440 178.204 -1.764 18223
628 1 2 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.860 -0.500 18223
629 1 2 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.826 -0.021 18223
630 1 2 . 1 1 47 47 LEU H H 38 8.108 8.108 7.527 0.581 18223
631 1 2 . 1 1 48 48 ALA N N 39 121.290 121.290 121.083 0.207 18223
632 1 2 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.154 -0.544 18223
633 1 2 . 1 1 48 48 ALA H H 39 8.250 8.250 7.745 0.505 18223
634 1 2 . 1 1 49 49 ALA N N 40 120.070 120.070 119.743 0.327 18223
635 1 2 . 1 1 49 49 ALA C C 40 179.910 179.910 179.579 0.331 18223
636 1 2 . 1 1 49 49 ALA CA C 40 55.110 55.110 55.026 0.084 18223
637 1 2 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.197 -0.116 18223
638 1 2 . 1 1 49 49 ALA H H 40 8.145 8.145 8.580 -0.435 18223
639 1 2 . 1 1 50 50 GLY N N 41 104.977 104.977 107.589 -2.612 18223
640 1 2 . 1 1 50 50 GLY C C 41 174.870 174.870 176.087 -1.217 18223
641 1 2 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.859 0.066 18223
642 1 2 . 1 1 50 50 GLY H H 41 8.103 8.103 7.522 0.581 18223
643 1 2 . 1 1 51 51 LEU N N 42 122.431 122.431 122.448 -0.017 18223
644 1 2 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.271 -0.941 18223
645 1 2 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.037 -0.232 18223
646 1 2 . 1 1 51 51 LEU H H 42 7.796 7.796 7.997 -0.201 18223
647 1 2 . 1 1 52 52 LEU N N 43 119.483 119.483 120.261 -0.778 18223
648 1 2 . 1 1 52 52 LEU C C 43 179.910 179.910 179.241 0.669 18223
649 1 2 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.979 -1.209 18223
650 1 2 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.935 -0.563 18223
651 1 2 . 1 1 52 52 LEU H H 43 7.862 7.862 8.027 -0.165 18223
652 1 2 . 1 1 53 53 PHE N N 44 117.117 117.117 118.207 -1.090 18223
653 1 2 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.213 0.158 18223
654 1 2 . 1 1 53 53 PHE C C 44 178.530 178.530 177.767 0.763 18223
655 1 2 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.324 -1.174 18223
656 1 2 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.677 -0.549 18223
657 1 2 . 1 1 53 53 PHE H H 44 8.343 8.343 8.548 -0.205 18223
658 1 2 . 1 1 54 54 GLY N N 45 107.605 107.605 107.499 0.106 18223
659 1 2 . 1 1 54 54 GLY C C 45 176.400 176.400 175.526 0.874 18223
660 1 2 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.397 -0.647 18223
661 1 2 . 1 1 54 54 GLY H H 45 8.150 8.150 7.825 0.325 18223
662 1 2 . 1 1 55 55 SER N N 46 117.713 117.713 118.344 -0.631 18223
663 1 2 . 1 1 55 55 SER C C 46 176.130 176.130 176.892 -0.762 18223
664 1 2 . 1 1 55 55 SER CA C 46 61.240 61.240 61.260 -0.020 18223
665 1 2 . 1 1 55 55 SER CB C 46 63.294 63.294 63.078 0.216 18223
666 1 2 . 1 1 55 55 SER H H 46 7.942 7.942 7.934 0.008 18223
667 1 2 . 1 1 56 56 LEU N N 47 121.618 121.618 122.669 -1.051 18223
668 1 2 . 1 1 56 56 LEU C C 47 178.510 178.510 177.999 0.511 18223
669 1 2 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.397 -1.637 18223
670 1 2 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.622 -0.466 18223
671 1 2 . 1 1 56 56 LEU H H 47 7.910 7.910 7.918 -0.008 18223
672 1 2 . 1 1 57 57 ALA N N 48 121.557 121.557 120.219 1.338 18223
673 1 2 . 1 1 57 57 ALA C C 48 180.040 180.040 179.584 0.456 18223
674 1 2 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.038 -0.488 18223
675 1 2 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.884 0.197 18223
676 1 2 . 1 1 57 57 ALA H H 48 7.878 7.878 7.792 0.086 18223
677 1 2 . 1 1 58 58 GLY N N 49 106.435 106.435 107.672 -1.237 18223
678 1 2 . 1 1 58 58 GLY C C 49 175.740 175.740 176.516 -0.776 18223
679 1 2 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.169 -0.889 18223
680 1 2 . 1 1 58 58 GLY H H 49 8.085 8.085 8.042 0.043 18223
681 1 2 . 1 1 59 59 LEU N N 50 121.230 121.230 122.328 -1.098 18223
682 1 2 . 1 1 59 59 LEU C C 50 178.390 178.390 179.261 -0.871 18223
683 1 2 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.717 -2.287 18223
684 1 2 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.569 0.092 18223
685 1 2 . 1 1 59 59 LEU H H 50 7.770 7.770 8.558 -0.788 18223
686 1 2 . 1 1 60 60 GLY N N 51 106.525 106.525 107.361 -0.836 18223
687 1 2 . 1 1 60 60 GLY C C 51 174.820 174.820 175.304 -0.484 18223
688 1 2 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.291 -1.001 18223
689 1 2 . 1 1 60 60 GLY H H 51 8.090 8.090 7.811 0.279 18223
690 1 2 . 1 1 61 61 ALA N N 52 122.773 122.773 123.136 -0.363 18223
691 1 2 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.993 0.109 18223
692 1 2 . 1 1 61 61 ALA C C 52 178.320 178.320 178.776 -0.456 18223
693 1 2 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.501 -0.081 18223
694 1 2 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.311 0.131 18223
695 1 2 . 1 1 61 61 ALA H H 52 7.819 7.819 8.182 -0.363 18223
696 1 2 . 1 1 62 62 TYR N N 53 118.481 118.481 119.754 -1.273 18223
697 1 2 . 1 1 62 62 TYR C C 53 176.390 176.390 177.171 -0.781 18223
698 1 2 . 1 1 62 62 TYR CA C 53 59.000 59.000 62.556 -3.556 18223
699 1 2 . 1 1 62 62 TYR CB C 53 38.344 38.344 39.190 -0.845 18223
700 1 2 . 1 1 62 62 TYR H H 53 7.794 7.794 8.018 -0.224 18223
701 1 2 . 1 1 63 63 GLN N N 54 120.770 120.770 116.428 4.342 18223
702 1 2 . 1 1 63 63 GLN CA C 54 56.560 56.560 57.983 -1.423 18223
703 1 2 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.380 -2.732 18223
704 1 2 . 1 1 63 63 GLN H H 54 8.033 8.033 8.712 -0.679 18223
705 1 2 . 1 1 64 64 LEU N N 55 121.847 121.847 114.952 6.895 18223
706 1 2 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.529 -0.359 18223
707 1 2 . 1 1 64 64 LEU C C 55 177.790 177.790 175.221 2.569 18223
708 1 2 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.161 0.849 18223
709 1 2 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.980 -1.175 18223
710 1 2 . 1 1 64 64 LEU H H 55 8.018 8.018 7.528 0.490 18223
711 1 2 . 1 1 65 65 SER N N 56 113.937 113.937 116.495 -2.558 18223
712 1 2 . 1 1 65 65 SER C C 56 174.710 174.710 173.175 1.535 18223
713 1 2 . 1 1 65 65 SER CA C 56 59.050 59.050 59.032 0.018 18223
714 1 2 . 1 1 65 65 SER CB C 56 63.554 63.554 63.898 -0.344 18223
715 1 2 . 1 1 65 65 SER H H 56 7.892 7.892 8.781 -0.889 18223
716 1 2 . 1 1 66 66 GLN N N 57 120.154 120.154 122.125 -1.971 18223
717 1 2 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.512 -0.269 18223
718 1 2 . 1 1 66 66 GLN C C 57 175.760 175.760 173.948 1.812 18223
719 1 2 . 1 1 66 66 GLN CA C 57 55.650 55.650 55.819 -0.168 18223
720 1 2 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.396 -0.848 18223
721 1 2 . 1 1 66 66 GLN H H 57 7.625 7.625 7.959 -0.334 18223
722 1 2 . 1 1 67 67 ASP N N 58 120.090 120.090 124.916 -4.826 18223
723 1 2 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.524 -2.524 18223
724 1 2 . 1 1 67 67 ASP H H 58 8.000 8.000 8.840 -0.840 18223
725 1 2 . 1 1 68 68 PRO C C 59 177.890 177.890 178.666 -0.776 18223
726 1 2 . 1 1 69 69 ARG N N 60 117.806 117.806 119.869 -2.063 18223
727 1 2 . 1 1 69 69 ARG C C 60 178.330 178.330 178.631 -0.301 18223
728 1 2 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.246 -1.351 18223
729 1 2 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.658 -0.456 18223
730 1 2 . 1 1 69 69 ARG H H 60 8.402 8.402 8.667 -0.265 18223
731 1 2 . 1 1 70 70 ASN N N 61 116.920 116.920 116.323 0.597 18223
732 1 2 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.440 -1.140 18223
733 1 2 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.117 -0.050 18223
734 1 2 . 1 1 70 70 ASN H H 61 7.930 7.930 8.342 -0.412 18223
735 1 2 . 1 1 71 71 VAL N N 62 120.795 120.795 121.460 -0.665 18223
736 1 2 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.674 -0.747 18223
737 1 2 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.529 -0.534 18223
738 1 2 . 1 1 71 71 VAL H H 62 7.783 7.783 7.714 0.069 18223
739 1 2 . 1 1 72 72 TRP N N 63 120.550 120.550 121.106 -0.556 18223
740 1 2 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.276 0.141 18223
741 1 2 . 1 1 72 72 TRP C C 63 177.850 177.850 178.654 -0.804 18223
742 1 2 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.371 -1.241 18223
743 1 2 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.019 0.294 18223
744 1 2 . 1 1 72 72 TRP H H 63 7.760 7.760 8.431 -0.671 18223
745 1 2 . 1 1 73 73 VAL N N 64 117.896 117.896 118.338 -0.442 18223
746 1 2 . 1 1 73 73 VAL C C 64 179.270 179.270 178.592 0.678 18223
747 1 2 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.302 -0.772 18223
748 1 2 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.455 -0.147 18223
749 1 2 . 1 1 73 73 VAL H H 64 7.905 7.905 8.126 -0.221 18223
750 1 2 . 1 1 74 74 PHE N N 65 122.086 122.086 119.334 2.752 18223
751 1 2 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.312 -0.087 18223
752 1 2 . 1 1 74 74 PHE C C 65 177.760 177.760 177.473 0.287 18223
753 1 2 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.224 -0.934 18223
754 1 2 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.992 -0.432 18223
755 1 2 . 1 1 74 74 PHE H H 65 7.857 7.857 8.232 -0.375 18223
756 1 2 . 1 1 75 75 LEU N N 66 121.304 121.304 122.085 -0.781 18223
757 1 2 . 1 1 75 75 LEU C C 66 179.060 179.060 178.965 0.095 18223
758 1 2 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.328 -0.528 18223
759 1 2 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.919 -0.619 18223
760 1 2 . 1 1 75 75 LEU H H 66 8.326 8.326 8.434 -0.108 18223
761 1 2 . 1 1 76 76 ALA N N 67 120.420 120.420 120.590 -0.170 18223
762 1 2 . 1 1 76 76 ALA HA H 67 4.396 4.396 4.023 0.373 18223
763 1 2 . 1 1 76 76 ALA C C 67 180.180 180.180 179.270 0.910 18223
764 1 2 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.370 -0.780 18223
765 1 2 . 1 1 76 76 ALA H H 67 8.283 8.283 8.327 -0.044 18223
766 1 2 . 1 1 77 77 THR N N 68 111.152 111.152 115.305 -4.153 18223
767 1 2 . 1 1 77 77 THR C C 68 175.830 175.830 176.788 -0.958 18223
768 1 2 . 1 1 77 77 THR CA C 68 64.159 64.159 67.351 -3.192 18223
769 1 2 . 1 1 77 77 THR CB C 68 69.711 69.711 68.443 1.268 18223
770 1 2 . 1 1 77 77 THR H H 68 7.951 7.951 8.001 -0.050 18223
771 1 2 . 1 1 78 78 SER N N 69 117.883 117.883 116.253 1.630 18223
772 1 2 . 1 1 78 78 SER C C 69 176.000 176.000 176.986 -0.986 18223
773 1 2 . 1 1 78 78 SER CA C 69 60.730 60.730 60.877 -0.147 18223
774 1 2 . 1 1 78 78 SER H H 69 7.839 7.839 7.956 -0.117 18223
775 1 2 . 1 1 79 79 GLY N N 70 111.078 111.078 109.523 1.555 18223
776 1 2 . 1 1 79 79 GLY C C 70 175.830 175.830 175.799 0.031 18223
777 1 2 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.536 -0.826 18223
778 1 2 . 1 1 79 79 GLY H H 70 8.269 8.269 8.150 0.119 18223
779 1 2 . 1 1 80 80 THR N N 71 117.727 117.727 117.314 0.413 18223
780 1 2 . 1 1 80 80 THR C C 71 176.110 176.110 176.392 -0.282 18223
781 1 2 . 1 1 80 80 THR CA C 71 66.178 66.178 64.959 1.220 18223
782 1 2 . 1 1 80 80 THR CB C 71 68.630 68.630 68.915 -0.285 18223
783 1 2 . 1 1 80 80 THR H H 71 7.823 7.823 7.955 -0.132 18223
784 1 2 . 1 1 81 81 LEU N N 72 121.422 121.422 121.988 -0.566 18223
785 1 2 . 1 1 81 81 LEU C C 72 178.620 178.620 178.371 0.249 18223
786 1 2 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.388 -0.698 18223
787 1 2 . 1 1 81 81 LEU H H 72 7.846 7.846 8.023 -0.177 18223
788 1 2 . 1 1 82 82 ALA N N 73 121.160 121.160 120.398 0.762 18223
789 1 2 . 1 1 82 82 ALA C C 73 180.440 180.440 179.481 0.959 18223
790 1 2 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.071 1.109 18223
791 1 2 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.639 -0.774 18223
792 1 2 . 1 1 82 82 ALA H H 73 8.050 8.050 8.459 -0.409 18223
793 1 2 . 1 1 83 83 GLY N N 74 106.017 106.017 107.647 -1.630 18223
794 1 2 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.684 0.326 18223
795 1 2 . 1 1 83 83 GLY H H 74 8.132 8.132 8.006 0.126 18223
796 1 2 . 1 1 84 84 ILE N N 75 122.030 122.030 120.678 1.352 18223
797 1 2 . 1 1 84 84 ILE C C 75 178.530 178.530 176.435 2.095 18223
798 1 2 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.212 1.518 18223
799 1 2 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.059 -0.292 18223
800 1 2 . 1 1 84 84 ILE H H 75 7.930 7.930 8.033 -0.103 18223
801 1 2 . 1 1 85 85 MET N N 76 117.920 117.920 113.624 4.296 18223
802 1 2 . 1 1 85 85 MET CA C 76 57.810 57.810 54.512 3.298 18223
803 1 2 . 1 1 85 85 MET H H 76 8.140 8.140 7.585 0.555 18223
804 1 2 . 1 1 86 86 GLY N N 77 109.118 109.118 108.250 0.868 18223
805 1 2 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.259 1.512 18223
806 1 2 . 1 1 86 86 GLY H H 77 7.920 7.920 8.333 -0.413 18223
807 1 2 . 1 1 87 87 MET N N 78 119.220 119.220 118.696 0.524 18223
808 1 2 . 1 1 87 87 MET CA C 78 55.810 55.810 56.680 -0.870 18223
809 1 2 . 1 1 87 87 MET H H 78 7.950 7.950 8.019 -0.069 18223
810 1 2 . 1 1 88 88 ARG N N 79 120.090 120.090 119.244 0.846 18223
811 1 2 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.719 -4.719 18223
812 1 2 . 1 1 88 88 ARG H H 79 8.000 8.000 8.434 -0.434 18223
813 1 2 . 1 1 90 90 TYR C C 81 176.310 176.310 174.352 1.958 18223
814 1 2 . 1 1 91 91 HIS N N 82 118.270 118.270 119.502 -1.232 18223
815 1 2 . 1 1 91 91 HIS C C 82 174.940 174.940 173.623 1.317 18223
816 1 2 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.000 -0.150 18223
817 1 2 . 1 1 91 91 HIS H H 82 8.130 8.130 7.824 0.306 18223
818 1 2 . 1 1 92 92 SER N N 83 115.818 115.818 115.789 0.029 18223
819 1 2 . 1 1 92 92 SER C C 83 175.470 175.470 174.228 1.242 18223
820 1 2 . 1 1 92 92 SER CA C 83 59.430 59.430 58.187 1.243 18223
821 1 2 . 1 1 92 92 SER CB C 83 63.870 63.870 63.098 0.772 18223
822 1 2 . 1 1 92 92 SER H H 83 8.007 8.007 8.116 -0.109 18223
823 1 2 . 1 1 93 93 GLY N N 84 110.518 110.518 109.852 0.666 18223
824 1 2 . 1 1 93 93 GLY C C 84 174.740 174.740 173.941 0.799 18223
825 1 2 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.477 1.453 18223
826 1 2 . 1 1 93 93 GLY H H 84 8.099 8.099 8.096 0.003 18223
827 1 2 . 1 1 94 94 LYS N N 85 120.088 120.088 120.588 -0.500 18223
828 1 2 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.647 -0.204 18223
829 1 2 . 1 1 94 94 LYS CB C 85 32.359 32.359 30.970 1.389 18223
830 1 2 . 1 1 94 94 LYS H H 85 7.810 7.810 8.168 -0.358 18223
831 1 2 . 1 1 95 95 PHE N N 86 118.766 118.766 118.744 0.022 18223
832 1 2 . 1 1 95 95 PHE CA C 86 57.810 57.810 56.763 1.047 18223
833 1 2 . 1 1 95 95 PHE CB C 86 39.281 39.281 39.669 -0.389 18223
834 1 2 . 1 1 95 95 PHE H H 86 7.911 7.911 8.137 -0.226 18223
835 1 2 . 1 1 96 96 MET N N 87 120.600 120.600 119.674 0.926 18223
836 1 2 . 1 1 96 96 MET CA C 87 53.150 53.150 56.018 -2.868 18223
837 1 2 . 1 1 96 96 MET H H 87 7.670 7.670 8.481 -0.811 18223
838 1 2 . 1 1 97 97 PRO C C 88 176.820 176.820 175.390 1.430 18223
839 1 2 . 1 1 98 98 ALA N N 89 124.300 124.300 122.329 1.971 18223
840 1 2 . 1 1 98 98 ALA C C 89 179.480 179.480 176.723 2.757 18223
841 1 2 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.396 0.994 18223
842 1 2 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.049 -1.247 18223
843 1 2 . 1 1 98 98 ALA H H 89 8.302 8.302 8.107 0.195 18223
844 1 2 . 1 1 99 99 GLY N N 90 107.011 107.011 107.608 -0.597 18223
845 1 2 . 1 1 99 99 GLY C C 90 174.920 174.920 174.834 0.086 18223
846 1 2 . 1 1 99 99 GLY CA C 90 45.880 45.880 43.941 1.938 18223
847 1 2 . 1 1 99 99 GLY H H 90 8.341 8.341 7.846 0.495 18223
848 1 2 . 1 1 100 100 LEU N N 91 120.873 120.873 126.149 -5.276 18223
849 1 2 . 1 1 100 100 LEU C C 91 177.250 177.250 178.638 -1.388 18223
850 1 2 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.466 -1.366 18223
851 1 2 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.059 0.035 18223
852 1 2 . 1 1 100 100 LEU H H 91 7.732 7.732 8.947 -1.215 18223
853 1 2 . 1 1 101 101 ILE N N 92 118.245 118.245 120.010 -1.765 18223
854 1 2 . 1 1 101 101 ILE C C 92 177.130 177.130 176.570 0.560 18223
855 1 2 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.709 -3.795 18223
856 1 2 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.524 0.604 18223
857 1 2 . 1 1 101 101 ILE H H 92 7.668 7.668 8.258 -0.590 18223
858 1 2 . 1 1 102 102 ALA N N 93 127.523 127.523 121.883 5.640 18223
859 1 2 . 1 1 102 102 ALA C C 93 179.370 179.370 179.738 -0.368 18223
860 1 2 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.334 -2.496 18223
861 1 2 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.932 1.087 18223
862 1 2 . 1 1 102 102 ALA H H 93 8.110 8.110 8.166 -0.056 18223
863 1 2 . 1 1 103 103 GLY N N 94 109.013 109.013 106.609 2.404 18223
864 1 2 . 1 1 103 103 GLY C C 94 175.290 175.290 175.894 -0.604 18223
865 1 2 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.932 -1.512 18223
866 1 2 . 1 1 103 103 GLY H H 94 8.180 8.180 8.230 -0.050 18223
867 1 2 . 1 1 104 104 ALA N N 95 123.130 123.130 124.683 -1.553 18223
868 1 2 . 1 1 104 104 ALA C C 95 180.040 180.040 179.830 0.210 18223
869 1 2 . 1 1 104 104 ALA H H 95 8.230 8.230 8.262 -0.033 18223
870 1 2 . 1 1 105 105 SER N N 96 114.606 114.606 114.791 -0.185 18223
871 1 2 . 1 1 105 105 SER C C 96 176.140 176.140 176.771 -0.631 18223
872 1 2 . 1 1 105 105 SER H H 96 7.915 7.915 8.274 -0.359 18223
873 1 2 . 1 1 106 106 LEU N N 97 122.651 122.651 122.832 -0.181 18223
874 1 2 . 1 1 106 106 LEU C C 97 179.140 179.140 178.212 0.928 18223
875 1 2 . 1 1 106 106 LEU H H 97 8.066 8.066 7.997 0.069 18223
876 1 2 . 1 1 108 108 MET N N 99 118.381 118.381 119.110 -0.729 18223
877 1 2 . 1 1 108 108 MET C C 99 178.830 178.830 178.431 0.399 18223
878 1 2 . 1 1 108 108 MET CA C 99 58.730 58.730 59.669 -0.939 18223
879 1 2 . 1 1 108 108 MET H H 99 7.682 7.682 8.381 -0.699 18223
880 1 2 . 1 1 109 109 VAL N N 100 118.713 118.713 119.320 -0.607 18223
881 1 2 . 1 1 109 109 VAL C C 100 177.930 177.930 177.842 0.088 18223
882 1 2 . 1 1 109 109 VAL CA C 100 66.230 66.230 65.613 0.617 18223
883 1 2 . 1 1 109 109 VAL H H 100 7.821 7.821 8.136 -0.315 18223
884 1 2 . 1 1 110 110 ALA N N 101 122.160 122.160 121.256 0.904 18223
885 1 2 . 1 1 110 110 ALA C C 101 180.470 180.470 179.785 0.685 18223
886 1 2 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.245 0.095 18223
887 1 2 . 1 1 110 110 ALA H H 101 8.110 8.110 8.176 -0.066 18223
888 1 2 . 1 1 111 111 LYS N N 102 120.260 120.260 118.823 1.437 18223
889 1 2 . 1 1 111 111 LYS C C 102 177.490 177.490 178.719 -1.229 18223
890 1 2 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.453 -1.963 18223
891 1 2 . 1 1 111 111 LYS H H 102 7.870 7.870 7.756 0.114 18223
892 1 2 . 1 1 112 112 VAL N N 103 120.410 120.410 117.514 2.896 18223
893 1 2 . 1 1 112 112 VAL C C 103 176.240 176.240 177.542 -1.302 18223
894 1 2 . 1 1 112 112 VAL CA C 103 65.720 65.720 66.037 -0.317 18223
895 1 2 . 1 1 112 112 VAL H H 103 7.990 7.990 8.048 -0.058 18223
896 1 2 . 1 1 113 113 GLY N N 104 108.926 108.926 107.071 1.855 18223
897 1 2 . 1 1 113 113 GLY C C 104 175.150 175.150 174.933 0.217 18223
898 1 2 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.446 2.204 18223
899 1 2 . 1 1 113 113 GLY H H 104 8.477 8.477 7.774 0.703 18223
900 1 2 . 1 1 114 114 VAL N N 105 119.350 119.350 120.349 -0.999 18223
901 1 2 . 1 1 114 114 VAL C C 105 178.390 178.390 175.889 2.501 18223
902 1 2 . 1 1 114 114 VAL CA C 105 66.140 66.140 63.153 2.987 18223
903 1 2 . 1 1 114 114 VAL H H 105 8.310 8.310 7.861 0.449 18223
904 1 2 . 1 1 115 115 SER N N 106 115.964 115.964 117.755 -1.791 18223
905 1 2 . 1 1 115 115 SER C C 106 177.250 177.250 173.503 3.747 18223
906 1 2 . 1 1 115 115 SER CA C 106 61.130 61.130 58.921 2.209 18223
907 1 2 . 1 1 115 115 SER H H 106 7.815 7.815 8.408 -0.593 18223
908 1 2 . 1 1 116 116 MET N N 107 120.190 120.190 124.975 -4.785 18223
909 1 2 . 1 1 116 116 MET C C 107 177.190 177.190 174.647 2.543 18223
910 1 2 . 1 1 116 116 MET CA C 107 57.450 57.450 55.475 1.975 18223
911 1 2 . 1 1 116 116 MET H H 107 7.820 7.820 8.109 -0.289 18223
912 1 2 . 1 1 117 117 PHE N N 108 117.325 117.325 119.497 -2.172 18223
913 1 2 . 1 1 117 117 PHE C C 108 175.740 175.740 174.931 0.809 18223
914 1 2 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.579 1.291 18223
915 1 2 . 1 1 117 117 PHE H H 108 7.735 7.735 8.655 -0.920 18223
916 1 2 . 1 1 118 118 ASN N N 109 118.878 118.878 118.858 0.020 18223
917 1 2 . 1 1 118 118 ASN C C 109 174.830 174.830 175.254 -0.424 18223
918 1 2 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.152 -0.092 18223
919 1 2 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.305 -0.240 18223
920 1 2 . 1 1 118 118 ASN H H 109 7.907 7.907 8.532 -0.625 18223
921 1 2 . 1 1 119 119 ARG N N 110 122.870 122.870 122.497 0.373 18223
922 1 2 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.647 -1.497 18223
923 1 2 . 1 1 119 119 ARG H H 110 7.894 7.894 8.077 -0.183 18223
924 1 2 . 1 1 120 120 PRO C C 111 176.590 176.590 176.105 0.485 18223
925 1 3 . 1 1 11 11 GLN C C 2 176.170 176.170 175.052 1.118 18223
926 1 3 . 1 1 12 12 ASP N N 3 120.369 120.369 118.996 1.373 18223
927 1 3 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.489 -0.339 18223
928 1 3 . 1 1 12 12 ASP C C 3 176.980 176.980 174.930 2.050 18223
929 1 3 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.327 0.510 18223
930 1 3 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.378 -0.582 18223
931 1 3 . 1 1 12 12 ASP H H 3 8.275 8.275 8.210 0.065 18223
932 1 3 . 1 1 13 13 THR N N 4 114.220 114.220 116.280 -2.060 18223
933 1 3 . 1 1 13 13 THR HA H 4 4.636 4.636 4.048 0.588 18223
934 1 3 . 1 1 13 13 THR C C 4 175.530 175.530 173.780 1.750 18223
935 1 3 . 1 1 13 13 THR CA C 4 62.790 62.790 62.949 -0.159 18223
936 1 3 . 1 1 13 13 THR CB C 4 69.134 69.134 69.347 -0.213 18223
937 1 3 . 1 1 13 13 THR H H 4 7.990 7.990 8.049 -0.059 18223
938 1 3 . 1 1 14 14 SER N N 5 117.664 117.664 117.787 -0.123 18223
939 1 3 . 1 1 14 14 SER HA H 5 4.296 4.296 4.338 -0.042 18223
940 1 3 . 1 1 14 14 SER C C 5 175.200 175.200 174.940 0.260 18223
941 1 3 . 1 1 14 14 SER CA C 5 59.443 59.443 59.289 0.153 18223
942 1 3 . 1 1 14 14 SER CB C 5 63.438 63.438 63.708 -0.270 18223
943 1 3 . 1 1 14 14 SER H H 5 8.255 8.255 8.478 -0.223 18223
944 1 3 . 1 1 15 15 SER N N 6 117.093 117.093 124.863 -7.770 18223
945 1 3 . 1 1 15 15 SER HA H 6 4.317 4.317 4.196 0.121 18223
946 1 3 . 1 1 15 15 SER C C 6 174.770 174.770 174.623 0.147 18223
947 1 3 . 1 1 15 15 SER CA C 6 58.737 58.737 59.255 -0.518 18223
948 1 3 . 1 1 15 15 SER CB C 6 63.656 63.656 62.104 1.552 18223
949 1 3 . 1 1 15 15 SER H H 6 8.050 8.050 8.800 -0.750 18223
950 1 3 . 1 1 16 16 VAL N N 7 119.995 119.995 121.509 -1.514 18223
951 1 3 . 1 1 16 16 VAL C C 7 176.150 176.150 175.559 0.591 18223
952 1 3 . 1 1 16 16 VAL CA C 7 62.743 62.743 65.091 -2.348 18223
953 1 3 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.328 1.887 18223
954 1 3 . 1 1 16 16 VAL H H 7 7.775 7.775 8.545 -0.770 18223
955 1 3 . 1 1 17 17 VAL N N 8 121.090 121.090 122.246 -1.156 18223
956 1 3 . 1 1 17 17 VAL CA C 8 60.910 60.910 63.366 -2.456 18223
957 1 3 . 1 1 17 17 VAL H H 8 7.730 7.730 8.134 -0.404 18223
958 1 3 . 1 1 18 18 PRO C C 9 178.410 178.410 177.472 0.938 18223
959 1 3 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.886 1.624 18223
960 1 3 . 1 1 19 19 LEU N N 10 121.410 121.410 121.329 0.081 18223
961 1 3 . 1 1 19 19 LEU C C 10 178.910 178.910 179.088 -0.178 18223
962 1 3 . 1 1 19 19 LEU CA C 10 56.850 56.850 58.797 -1.947 18223
963 1 3 . 1 1 19 19 LEU CB C 10 41.445 41.445 40.734 0.711 18223
964 1 3 . 1 1 19 19 LEU H H 10 7.930 7.930 8.649 -0.719 18223
965 1 3 . 1 1 20 20 HIS N N 11 116.900 116.900 117.336 -0.436 18223
966 1 3 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.314 0.317 18223
967 1 3 . 1 1 20 20 HIS C C 11 174.990 174.990 177.750 -2.760 18223
968 1 3 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.913 -3.913 18223
969 1 3 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.404 -1.444 18223
970 1 3 . 1 1 20 20 HIS H H 11 8.384 8.384 8.586 -0.202 18223
971 1 3 . 1 1 21 21 TRP C C 12 177.660 177.660 178.395 -0.735 18223
972 1 3 . 1 1 22 22 PHE N N 13 119.238 119.238 118.041 1.197 18223
973 1 3 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.235 0.053 18223
974 1 3 . 1 1 22 22 PHE C C 13 177.410 177.410 178.037 -0.627 18223
975 1 3 . 1 1 22 22 PHE CA C 13 60.698 60.698 63.007 -2.309 18223
976 1 3 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.813 -0.469 18223
977 1 3 . 1 1 22 22 PHE H H 13 7.883 7.883 8.724 -0.841 18223
978 1 3 . 1 1 23 23 GLY N N 14 107.209 107.209 106.480 0.729 18223
979 1 3 . 1 1 23 23 GLY C C 14 176.220 176.220 176.229 -0.009 18223
980 1 3 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.351 -0.271 18223
981 1 3 . 1 1 23 23 GLY H H 14 7.911 7.911 8.326 -0.415 18223
982 1 3 . 1 1 24 24 PHE N N 15 121.880 121.880 122.572 -0.692 18223
983 1 3 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.253 0.160 18223
984 1 3 . 1 1 24 24 PHE C C 15 177.840 177.840 178.118 -0.278 18223
985 1 3 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.288 -1.198 18223
986 1 3 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.885 -0.036 18223
987 1 3 . 1 1 24 24 PHE H H 15 7.900 7.900 8.440 -0.540 18223
988 1 3 . 1 1 25 25 GLY N N 16 107.640 107.640 107.615 0.025 18223
989 1 3 . 1 1 25 25 GLY C C 16 174.910 174.910 175.788 -0.878 18223
990 1 3 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.196 0.134 18223
991 1 3 . 1 1 25 25 GLY H H 16 8.320 8.320 8.801 -0.481 18223
992 1 3 . 1 1 26 26 TYR N N 17 121.804 121.804 123.553 -1.749 18223
993 1 3 . 1 1 26 26 TYR C C 17 177.120 177.120 177.213 -0.093 18223
994 1 3 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.472 0.198 18223
995 1 3 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.595 -0.194 18223
996 1 3 . 1 1 26 26 TYR H H 17 8.365 8.365 8.391 -0.026 18223
997 1 3 . 1 1 27 27 ALA N N 18 120.785 120.785 120.225 0.560 18223
998 1 3 . 1 1 27 27 ALA HA H 18 3.883 3.883 4.061 -0.178 18223
999 1 3 . 1 1 27 27 ALA C C 18 178.790 178.790 179.363 -0.573 18223
1000 1 3 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.065 -0.025 18223
1001 1 3 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.881 -0.160 18223
1002 1 3 . 1 1 27 27 ALA H H 18 7.949 7.949 8.370 -0.421 18223
1003 1 3 . 1 1 28 28 ALA N N 19 120.210 120.210 120.933 -0.723 18223
1004 1 3 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.429 0.421 18223
1005 1 3 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.400 -0.679 18223
1006 1 3 . 1 1 28 28 ALA H H 19 7.870 7.870 7.956 -0.086 18223
1007 1 3 . 1 1 29 29 LEU N N 20 120.090 120.090 120.577 -0.487 18223
1008 1 3 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.218 -6.218 18223
1009 1 3 . 1 1 29 29 LEU H H 20 8.000 8.000 7.784 0.216 18223
1010 1 3 . 1 1 30 30 VAL N N 21 118.299 118.299 119.546 -1.247 18223
1011 1 3 . 1 1 30 30 VAL C C 21 178.920 178.920 177.420 1.500 18223
1012 1 3 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.285 -0.665 18223
1013 1 3 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.592 -0.315 18223
1014 1 3 . 1 1 30 30 VAL H H 21 7.947 7.947 8.100 -0.153 18223
1015 1 3 . 1 1 31 31 ALA N N 22 122.600 122.600 121.014 1.586 18223
1016 1 3 . 1 1 31 31 ALA HA H 22 4.173 4.173 4.009 0.164 18223
1017 1 3 . 1 1 31 31 ALA C C 22 179.540 179.540 179.456 0.084 18223
1018 1 3 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.577 -1.369 18223
1019 1 3 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.915 0.527 18223
1020 1 3 . 1 1 31 31 ALA H H 22 7.819 7.819 8.219 -0.400 18223
1021 1 3 . 1 1 32 32 SER N N 23 113.502 113.502 116.096 -2.594 18223
1022 1 3 . 1 1 32 32 SER HA H 23 4.015 4.015 4.022 -0.007 18223
1023 1 3 . 1 1 32 32 SER C C 23 175.890 175.890 176.840 -0.950 18223
1024 1 3 . 1 1 32 32 SER CA C 23 60.490 60.490 63.097 -2.607 18223
1025 1 3 . 1 1 32 32 SER CB C 23 63.510 63.510 62.758 0.752 18223
1026 1 3 . 1 1 32 32 SER H H 23 7.826 7.826 8.363 -0.537 18223
1027 1 3 . 1 1 33 33 GLY N N 24 109.939 109.939 108.432 1.507 18223
1028 1 3 . 1 1 33 33 GLY C C 24 176.180 176.180 175.690 0.490 18223
1029 1 3 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.985 -0.335 18223
1030 1 3 . 1 1 33 33 GLY H H 24 7.985 7.985 8.512 -0.527 18223
1031 1 3 . 1 1 34 34 GLY N N 25 109.396 109.396 110.016 -0.620 18223
1032 1 3 . 1 1 34 34 GLY C C 25 175.330 175.330 176.225 -0.895 18223
1033 1 3 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.928 -0.758 18223
1034 1 3 . 1 1 34 34 GLY H H 25 8.235 8.235 8.001 0.234 18223
1035 1 3 . 1 1 35 35 ILE N N 26 120.211 120.211 123.665 -3.454 18223
1036 1 3 . 1 1 35 35 ILE C C 26 177.400 177.400 178.365 -0.965 18223
1037 1 3 . 1 1 35 35 ILE CA C 26 63.830 63.830 63.813 0.017 18223
1038 1 3 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.450 0.389 18223
1039 1 3 . 1 1 35 35 ILE H H 26 7.998 7.998 8.254 -0.256 18223
1040 1 3 . 1 1 36 36 ILE N N 27 120.051 120.051 117.656 2.395 18223
1041 1 3 . 1 1 36 36 ILE C C 27 177.900 177.900 177.282 0.618 18223
1042 1 3 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.509 -0.659 18223
1043 1 3 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.696 0.134 18223
1044 1 3 . 1 1 36 36 ILE H H 27 7.998 7.998 8.398 -0.400 18223
1045 1 3 . 1 1 37 37 GLY N N 28 107.531 107.531 108.518 -0.987 18223
1046 1 3 . 1 1 37 37 GLY C C 28 176.120 176.120 176.159 -0.039 18223
1047 1 3 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.605 0.195 18223
1048 1 3 . 1 1 37 37 GLY H H 28 7.983 7.983 7.474 0.509 18223
1049 1 3 . 1 1 38 38 TYR N N 29 120.900 120.900 121.365 -0.465 18223
1050 1 3 . 1 1 38 38 TYR C C 29 176.530 176.530 177.717 -1.187 18223
1051 1 3 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.193 -0.463 18223
1052 1 3 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.413 0.075 18223
1053 1 3 . 1 1 38 38 TYR H H 29 7.726 7.726 8.126 -0.400 18223
1054 1 3 . 1 1 39 39 VAL N N 30 117.958 117.958 115.053 2.905 18223
1055 1 3 . 1 1 39 39 VAL C C 30 177.600 177.600 177.063 0.537 18223
1056 1 3 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.828 -0.453 18223
1057 1 3 . 1 1 39 39 VAL CB C 30 31.421 31.421 31.842 -0.421 18223
1058 1 3 . 1 1 39 39 VAL H H 30 7.849 7.849 8.414 -0.565 18223
1059 1 3 . 1 1 40 40 LYS N N 31 120.116 120.116 116.549 3.567 18223
1060 1 3 . 1 1 40 40 LYS C C 31 177.090 177.090 175.050 2.040 18223
1061 1 3 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.159 -0.389 18223
1062 1 3 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.658 0.557 18223
1063 1 3 . 1 1 40 40 LYS H H 31 8.072 8.072 7.487 0.585 18223
1064 1 3 . 1 1 41 41 ALA N N 32 122.082 122.082 120.710 1.372 18223
1065 1 3 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.402 -0.161 18223
1066 1 3 . 1 1 41 41 ALA C C 32 178.780 178.780 176.200 2.580 18223
1067 1 3 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.009 1.251 18223
1068 1 3 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.192 -1.462 18223
1069 1 3 . 1 1 41 41 ALA H H 32 7.786 7.786 7.718 0.068 18223
1070 1 3 . 1 1 42 42 GLY N N 33 106.746 106.746 108.075 -1.329 18223
1071 1 3 . 1 1 42 42 GLY C C 33 174.790 174.790 174.276 0.514 18223
1072 1 3 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.715 1.105 18223
1073 1 3 . 1 1 42 42 GLY H H 33 7.964 7.964 8.350 -0.386 18223
1074 1 3 . 1 1 43 43 SER N N 34 115.541 115.541 117.475 -1.934 18223
1075 1 3 . 1 1 43 43 SER HA H 34 4.491 4.491 4.553 -0.062 18223
1076 1 3 . 1 1 43 43 SER C C 34 174.920 174.920 175.451 -0.531 18223
1077 1 3 . 1 1 43 43 SER CA C 34 58.730 58.730 58.639 0.091 18223
1078 1 3 . 1 1 43 43 SER CB C 34 63.798 63.798 64.109 -0.311 18223
1079 1 3 . 1 1 43 43 SER H H 34 8.049 8.049 8.068 -0.019 18223
1080 1 3 . 1 1 44 44 VAL N N 35 121.887 121.887 126.189 -4.302 18223
1081 1 3 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.805 -1.475 18223
1082 1 3 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.189 -0.859 18223
1083 1 3 . 1 1 44 44 VAL H H 35 8.332 8.332 8.899 -0.567 18223
1084 1 3 . 1 1 46 46 SER N N 37 113.762 113.762 113.794 -0.032 18223
1085 1 3 . 1 1 46 46 SER CA C 37 61.130 61.130 61.512 -0.382 18223
1086 1 3 . 1 1 46 46 SER CB C 37 62.789 62.789 62.919 -0.130 18223
1087 1 3 . 1 1 46 46 SER H H 37 7.924 7.924 8.090 -0.166 18223
1088 1 3 . 1 1 47 47 LEU N N 38 124.450 124.450 121.853 2.597 18223
1089 1 3 . 1 1 47 47 LEU C C 38 176.440 176.440 178.360 -1.920 18223
1090 1 3 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.871 -0.511 18223
1091 1 3 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.762 0.043 18223
1092 1 3 . 1 1 47 47 LEU H H 38 8.108 8.108 7.515 0.593 18223
1093 1 3 . 1 1 48 48 ALA N N 39 121.290 121.290 120.810 0.480 18223
1094 1 3 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.117 -0.507 18223
1095 1 3 . 1 1 48 48 ALA H H 39 8.250 8.250 7.849 0.401 18223
1096 1 3 . 1 1 49 49 ALA N N 40 120.070 120.070 119.622 0.448 18223
1097 1 3 . 1 1 49 49 ALA C C 40 179.910 179.910 179.506 0.404 18223
1098 1 3 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.948 0.162 18223
1099 1 3 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.146 -0.065 18223
1100 1 3 . 1 1 49 49 ALA H H 40 8.145 8.145 8.465 -0.320 18223
1101 1 3 . 1 1 50 50 GLY N N 41 104.977 104.977 107.704 -2.727 18223
1102 1 3 . 1 1 50 50 GLY C C 41 174.870 174.870 176.060 -1.190 18223
1103 1 3 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.850 0.075 18223
1104 1 3 . 1 1 50 50 GLY H H 41 8.103 8.103 7.744 0.359 18223
1105 1 3 . 1 1 51 51 LEU N N 42 122.431 122.431 122.835 -0.404 18223
1106 1 3 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.483 -1.153 18223
1107 1 3 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.012 -0.207 18223
1108 1 3 . 1 1 51 51 LEU H H 42 7.796 7.796 7.912 -0.116 18223
1109 1 3 . 1 1 52 52 LEU N N 43 119.483 119.483 119.995 -0.512 18223
1110 1 3 . 1 1 52 52 LEU C C 43 179.910 179.910 179.075 0.835 18223
1111 1 3 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.928 -1.158 18223
1112 1 3 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.752 -0.380 18223
1113 1 3 . 1 1 52 52 LEU H H 43 7.862 7.862 7.988 -0.126 18223
1114 1 3 . 1 1 53 53 PHE N N 44 117.117 117.117 117.095 0.022 18223
1115 1 3 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.266 0.105 18223
1116 1 3 . 1 1 53 53 PHE C C 44 178.530 178.530 178.311 0.219 18223
1117 1 3 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.128 -0.978 18223
1118 1 3 . 1 1 53 53 PHE CB C 44 38.128 38.128 37.767 0.361 18223
1119 1 3 . 1 1 53 53 PHE H H 44 8.343 8.343 8.619 -0.276 18223
1120 1 3 . 1 1 54 54 GLY N N 45 107.605 107.605 108.716 -1.111 18223
1121 1 3 . 1 1 54 54 GLY C C 45 176.400 176.400 175.976 0.424 18223
1122 1 3 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.435 -0.685 18223
1123 1 3 . 1 1 54 54 GLY H H 45 8.150 8.150 8.000 0.150 18223
1124 1 3 . 1 1 55 55 SER N N 46 117.713 117.713 118.733 -1.020 18223
1125 1 3 . 1 1 55 55 SER C C 46 176.130 176.130 176.874 -0.744 18223
1126 1 3 . 1 1 55 55 SER CA C 46 61.240 61.240 61.334 -0.094 18223
1127 1 3 . 1 1 55 55 SER CB C 46 63.294 63.294 63.223 0.071 18223
1128 1 3 . 1 1 55 55 SER H H 46 7.942 7.942 7.855 0.087 18223
1129 1 3 . 1 1 56 56 LEU N N 47 121.618 121.618 121.692 -0.074 18223
1130 1 3 . 1 1 56 56 LEU C C 47 178.510 178.510 177.986 0.524 18223
1131 1 3 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.353 -1.593 18223
1132 1 3 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.661 -0.505 18223
1133 1 3 . 1 1 56 56 LEU H H 47 7.910 7.910 8.003 -0.093 18223
1134 1 3 . 1 1 57 57 ALA N N 48 121.557 121.557 120.668 0.889 18223
1135 1 3 . 1 1 57 57 ALA C C 48 180.040 180.040 179.606 0.434 18223
1136 1 3 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.119 -0.569 18223
1137 1 3 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.072 0.009 18223
1138 1 3 . 1 1 57 57 ALA H H 48 7.878 7.878 8.206 -0.328 18223
1139 1 3 . 1 1 58 58 GLY N N 49 106.435 106.435 107.478 -1.043 18223
1140 1 3 . 1 1 58 58 GLY C C 49 175.740 175.740 176.082 -0.342 18223
1141 1 3 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.022 -0.742 18223
1142 1 3 . 1 1 58 58 GLY H H 49 8.085 8.085 8.136 -0.051 18223
1143 1 3 . 1 1 59 59 LEU N N 50 121.230 121.230 122.789 -1.559 18223
1144 1 3 . 1 1 59 59 LEU C C 50 178.390 178.390 180.408 -2.018 18223
1145 1 3 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.300 -1.870 18223
1146 1 3 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.244 0.417 18223
1147 1 3 . 1 1 59 59 LEU H H 50 7.770 7.770 8.287 -0.517 18223
1148 1 3 . 1 1 60 60 GLY N N 51 106.525 106.525 106.292 0.233 18223
1149 1 3 . 1 1 60 60 GLY C C 51 174.820 174.820 175.626 -0.806 18223
1150 1 3 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.004 -0.714 18223
1151 1 3 . 1 1 60 60 GLY H H 51 8.090 8.090 7.883 0.207 18223
1152 1 3 . 1 1 61 61 ALA N N 52 122.773 122.773 124.338 -1.565 18223
1153 1 3 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.726 0.376 18223
1154 1 3 . 1 1 61 61 ALA C C 52 178.320 178.320 176.605 1.715 18223
1155 1 3 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.309 0.111 18223
1156 1 3 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.732 -0.290 18223
1157 1 3 . 1 1 61 61 ALA H H 52 7.819 7.819 7.756 0.063 18223
1158 1 3 . 1 1 62 62 TYR N N 53 118.481 118.481 113.699 4.782 18223
1159 1 3 . 1 1 62 62 TYR C C 53 176.390 176.390 174.222 2.168 18223
1160 1 3 . 1 1 62 62 TYR CA C 53 59.000 59.000 57.440 1.560 18223
1161 1 3 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.649 0.695 18223
1162 1 3 . 1 1 62 62 TYR H H 53 7.794 7.794 7.840 -0.046 18223
1163 1 3 . 1 1 63 63 GLN N N 54 120.770 120.770 121.829 -1.059 18223
1164 1 3 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.944 -0.384 18223
1165 1 3 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.547 -2.899 18223
1166 1 3 . 1 1 63 63 GLN H H 54 8.033 8.033 8.560 -0.527 18223
1167 1 3 . 1 1 64 64 LEU N N 55 121.847 121.847 119.816 2.031 18223
1168 1 3 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.499 -0.329 18223
1169 1 3 . 1 1 64 64 LEU C C 55 177.790 177.790 175.164 2.626 18223
1170 1 3 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.764 0.246 18223
1171 1 3 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.206 -1.401 18223
1172 1 3 . 1 1 64 64 LEU H H 55 8.018 8.018 8.009 0.009 18223
1173 1 3 . 1 1 65 65 SER N N 56 113.937 113.937 115.919 -1.982 18223
1174 1 3 . 1 1 65 65 SER C C 56 174.710 174.710 172.352 2.358 18223
1175 1 3 . 1 1 65 65 SER CA C 56 59.050 59.050 58.838 0.212 18223
1176 1 3 . 1 1 65 65 SER CB C 56 63.554 63.554 63.807 -0.253 18223
1177 1 3 . 1 1 65 65 SER H H 56 7.892 7.892 8.699 -0.807 18223
1178 1 3 . 1 1 66 66 GLN N N 57 120.154 120.154 121.232 -1.078 18223
1179 1 3 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.384 -0.141 18223
1180 1 3 . 1 1 66 66 GLN C C 57 175.760 175.760 173.570 2.190 18223
1181 1 3 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.367 -0.717 18223
1182 1 3 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.808 -0.260 18223
1183 1 3 . 1 1 66 66 GLN H H 57 7.625 7.625 7.968 -0.343 18223
1184 1 3 . 1 1 67 67 ASP N N 58 120.090 120.090 122.311 -2.221 18223
1185 1 3 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.794 -2.794 18223
1186 1 3 . 1 1 67 67 ASP H H 58 8.000 8.000 8.417 -0.417 18223
1187 1 3 . 1 1 68 68 PRO C C 59 177.890 177.890 178.406 -0.516 18223
1188 1 3 . 1 1 69 69 ARG N N 60 117.806 117.806 119.145 -1.339 18223
1189 1 3 . 1 1 69 69 ARG C C 60 178.330 178.330 178.322 0.008 18223
1190 1 3 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.160 -1.265 18223
1191 1 3 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.716 -0.514 18223
1192 1 3 . 1 1 69 69 ARG H H 60 8.402 8.402 8.640 -0.238 18223
1193 1 3 . 1 1 70 70 ASN N N 61 116.920 116.920 116.929 -0.009 18223
1194 1 3 . 1 1 70 70 ASN CA C 61 55.300 55.300 55.983 -0.683 18223
1195 1 3 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.348 0.719 18223
1196 1 3 . 1 1 70 70 ASN H H 61 7.930 7.930 8.310 -0.380 18223
1197 1 3 . 1 1 71 71 VAL N N 62 120.795 120.795 120.937 -0.142 18223
1198 1 3 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.650 -0.723 18223
1199 1 3 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.433 -0.439 18223
1200 1 3 . 1 1 71 71 VAL H H 62 7.783 7.783 7.417 0.366 18223
1201 1 3 . 1 1 72 72 TRP N N 63 120.550 120.550 120.731 -0.181 18223
1202 1 3 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.165 0.252 18223
1203 1 3 . 1 1 72 72 TRP C C 63 177.850 177.850 177.908 -0.058 18223
1204 1 3 . 1 1 72 72 TRP CA C 63 60.130 60.130 60.308 -0.178 18223
1205 1 3 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.289 0.024 18223
1206 1 3 . 1 1 72 72 TRP H H 63 7.760 7.760 8.144 -0.384 18223
1207 1 3 . 1 1 73 73 VAL N N 64 117.896 117.896 118.244 -0.348 18223
1208 1 3 . 1 1 73 73 VAL C C 64 179.270 179.270 178.347 0.923 18223
1209 1 3 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.289 0.241 18223
1210 1 3 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.465 0.844 18223
1211 1 3 . 1 1 73 73 VAL H H 64 7.905 7.905 7.610 0.295 18223
1212 1 3 . 1 1 74 74 PHE N N 65 122.086 122.086 118.196 3.890 18223
1213 1 3 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.380 -0.155 18223
1214 1 3 . 1 1 74 74 PHE C C 65 177.760 177.760 178.077 -0.317 18223
1215 1 3 . 1 1 74 74 PHE CA C 65 61.290 61.290 59.264 2.026 18223
1216 1 3 . 1 1 74 74 PHE CB C 65 38.560 38.560 37.350 1.210 18223
1217 1 3 . 1 1 74 74 PHE H H 65 7.857 7.857 7.860 -0.003 18223
1218 1 3 . 1 1 75 75 LEU N N 66 121.304 121.304 122.428 -1.124 18223
1219 1 3 . 1 1 75 75 LEU C C 66 179.060 179.060 178.760 0.300 18223
1220 1 3 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.440 -0.640 18223
1221 1 3 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.900 -0.600 18223
1222 1 3 . 1 1 75 75 LEU H H 66 8.326 8.326 8.183 0.143 18223
1223 1 3 . 1 1 76 76 ALA N N 67 120.420 120.420 119.871 0.549 18223
1224 1 3 . 1 1 76 76 ALA HA H 67 4.396 4.396 4.020 0.376 18223
1225 1 3 . 1 1 76 76 ALA C C 67 180.180 180.180 179.249 0.931 18223
1226 1 3 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.060 -0.470 18223
1227 1 3 . 1 1 76 76 ALA H H 67 8.283 8.283 8.021 0.262 18223
1228 1 3 . 1 1 77 77 THR N N 68 111.152 111.152 115.655 -4.503 18223
1229 1 3 . 1 1 77 77 THR C C 68 175.830 175.830 176.623 -0.793 18223
1230 1 3 . 1 1 77 77 THR CA C 68 64.159 64.159 67.416 -3.257 18223
1231 1 3 . 1 1 77 77 THR CB C 68 69.711 69.711 68.540 1.171 18223
1232 1 3 . 1 1 77 77 THR H H 68 7.951 7.951 7.951 -0.000 18223
1233 1 3 . 1 1 78 78 SER N N 69 117.883 117.883 116.165 1.718 18223
1234 1 3 . 1 1 78 78 SER C C 69 176.000 176.000 176.939 -0.939 18223
1235 1 3 . 1 1 78 78 SER CA C 69 60.730 60.730 61.258 -0.528 18223
1236 1 3 . 1 1 78 78 SER H H 69 7.839 7.839 8.074 -0.235 18223
1237 1 3 . 1 1 79 79 GLY N N 70 111.078 111.078 109.512 1.566 18223
1238 1 3 . 1 1 79 79 GLY C C 70 175.830 175.830 176.286 -0.456 18223
1239 1 3 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.494 -0.784 18223
1240 1 3 . 1 1 79 79 GLY H H 70 8.269 8.269 8.118 0.151 18223
1241 1 3 . 1 1 80 80 THR N N 71 117.727 117.727 119.407 -1.680 18223
1242 1 3 . 1 1 80 80 THR C C 71 176.110 176.110 176.457 -0.347 18223
1243 1 3 . 1 1 80 80 THR CA C 71 66.178 66.178 66.301 -0.123 18223
1244 1 3 . 1 1 80 80 THR CB C 71 68.630 68.630 68.941 -0.311 18223
1245 1 3 . 1 1 80 80 THR H H 71 7.823 7.823 7.931 -0.108 18223
1246 1 3 . 1 1 81 81 LEU N N 72 121.422 121.422 121.497 -0.075 18223
1247 1 3 . 1 1 81 81 LEU C C 72 178.620 178.620 178.881 -0.261 18223
1248 1 3 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.312 -0.623 18223
1249 1 3 . 1 1 81 81 LEU H H 72 7.846 7.846 8.193 -0.347 18223
1250 1 3 . 1 1 82 82 ALA N N 73 121.160 121.160 118.692 2.468 18223
1251 1 3 . 1 1 82 82 ALA C C 73 180.440 180.440 180.293 0.147 18223
1252 1 3 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.684 1.496 18223
1253 1 3 . 1 1 82 82 ALA CB C 73 17.865 17.865 19.238 -1.373 18223
1254 1 3 . 1 1 82 82 ALA H H 73 8.050 8.050 8.443 -0.393 18223
1255 1 3 . 1 1 83 83 GLY N N 74 106.017 106.017 109.421 -3.404 18223
1256 1 3 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.927 0.083 18223
1257 1 3 . 1 1 83 83 GLY H H 74 8.132 8.132 7.899 0.233 18223
1258 1 3 . 1 1 84 84 ILE N N 75 122.030 122.030 120.297 1.733 18223
1259 1 3 . 1 1 84 84 ILE C C 75 178.530 178.530 175.945 2.585 18223
1260 1 3 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.536 1.194 18223
1261 1 3 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.674 -0.907 18223
1262 1 3 . 1 1 84 84 ILE H H 75 7.930 7.930 8.004 -0.074 18223
1263 1 3 . 1 1 85 85 MET N N 76 117.920 117.920 114.211 3.709 18223
1264 1 3 . 1 1 85 85 MET CA C 76 57.810 57.810 55.243 2.567 18223
1265 1 3 . 1 1 85 85 MET H H 76 8.140 8.140 7.737 0.403 18223
1266 1 3 . 1 1 86 86 GLY N N 77 109.118 109.118 107.458 1.660 18223
1267 1 3 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.722 1.049 18223
1268 1 3 . 1 1 86 86 GLY H H 77 7.920 7.920 8.353 -0.433 18223
1269 1 3 . 1 1 87 87 MET N N 78 119.220 119.220 121.261 -2.041 18223
1270 1 3 . 1 1 87 87 MET CA C 78 55.810 55.810 56.200 -0.390 18223
1271 1 3 . 1 1 87 87 MET H H 78 7.950 7.950 7.746 0.204 18223
1272 1 3 . 1 1 88 88 ARG N N 79 120.090 120.090 118.596 1.494 18223
1273 1 3 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.243 -4.243 18223
1274 1 3 . 1 1 88 88 ARG H H 79 8.000 8.000 7.155 0.845 18223
1275 1 3 . 1 1 90 90 TYR C C 81 176.310 176.310 175.475 0.835 18223
1276 1 3 . 1 1 91 91 HIS N N 82 118.270 118.270 119.849 -1.579 18223
1277 1 3 . 1 1 91 91 HIS C C 82 174.940 174.940 174.341 0.599 18223
1278 1 3 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.267 -0.417 18223
1279 1 3 . 1 1 91 91 HIS H H 82 8.130 8.130 8.258 -0.128 18223
1280 1 3 . 1 1 92 92 SER N N 83 115.818 115.818 116.068 -0.250 18223
1281 1 3 . 1 1 92 92 SER C C 83 175.470 175.470 173.931 1.539 18223
1282 1 3 . 1 1 92 92 SER CA C 83 59.430 59.430 58.242 1.188 18223
1283 1 3 . 1 1 92 92 SER CB C 83 63.870 63.870 63.729 0.141 18223
1284 1 3 . 1 1 92 92 SER H H 83 8.007 8.007 8.250 -0.243 18223
1285 1 3 . 1 1 93 93 GLY N N 84 110.518 110.518 109.699 0.819 18223
1286 1 3 . 1 1 93 93 GLY C C 84 174.740 174.740 174.291 0.449 18223
1287 1 3 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.650 1.280 18223
1288 1 3 . 1 1 93 93 GLY H H 84 8.099 8.099 8.086 0.013 18223
1289 1 3 . 1 1 94 94 LYS N N 85 120.088 120.088 120.740 -0.652 18223
1290 1 3 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.863 -0.420 18223
1291 1 3 . 1 1 94 94 LYS CB C 85 32.359 32.359 31.766 0.593 18223
1292 1 3 . 1 1 94 94 LYS H H 85 7.810 7.810 8.499 -0.689 18223
1293 1 3 . 1 1 95 95 PHE N N 86 118.766 118.766 118.904 -0.138 18223
1294 1 3 . 1 1 95 95 PHE CA C 86 57.810 57.810 56.416 1.394 18223
1295 1 3 . 1 1 95 95 PHE CB C 86 39.281 39.281 40.784 -1.503 18223
1296 1 3 . 1 1 95 95 PHE H H 86 7.911 7.911 7.899 0.012 18223
1297 1 3 . 1 1 96 96 MET N N 87 120.600 120.600 118.101 2.499 18223
1298 1 3 . 1 1 96 96 MET CA C 87 53.150 53.150 55.222 -2.072 18223
1299 1 3 . 1 1 96 96 MET H H 87 7.670 7.670 8.460 -0.790 18223
1300 1 3 . 1 1 97 97 PRO C C 88 176.820 176.820 177.745 -0.925 18223
1301 1 3 . 1 1 98 98 ALA N N 89 124.300 124.300 122.062 2.238 18223
1302 1 3 . 1 1 98 98 ALA C C 89 179.480 179.480 177.565 1.915 18223
1303 1 3 . 1 1 98 98 ALA CA C 89 53.390 53.390 53.688 -0.298 18223
1304 1 3 . 1 1 98 98 ALA CB C 89 18.802 18.802 18.467 0.335 18223
1305 1 3 . 1 1 98 98 ALA H H 89 8.302 8.302 7.906 0.396 18223
1306 1 3 . 1 1 99 99 GLY N N 90 107.011 107.011 105.909 1.102 18223
1307 1 3 . 1 1 99 99 GLY C C 90 174.920 174.920 174.678 0.242 18223
1308 1 3 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.398 1.482 18223
1309 1 3 . 1 1 99 99 GLY H H 90 8.341 8.341 7.540 0.801 18223
1310 1 3 . 1 1 100 100 LEU N N 91 120.873 120.873 124.260 -3.387 18223
1311 1 3 . 1 1 100 100 LEU C C 91 177.250 177.250 178.425 -1.175 18223
1312 1 3 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.134 -2.034 18223
1313 1 3 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.837 0.258 18223
1314 1 3 . 1 1 100 100 LEU H H 91 7.732 7.732 8.529 -0.797 18223
1315 1 3 . 1 1 101 101 ILE N N 92 118.245 118.245 118.493 -0.248 18223
1316 1 3 . 1 1 101 101 ILE C C 92 177.130 177.130 177.731 -0.601 18223
1317 1 3 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.661 -3.747 18223
1318 1 3 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.495 1.633 18223
1319 1 3 . 1 1 101 101 ILE H H 92 7.668 7.668 8.332 -0.664 18223
1320 1 3 . 1 1 102 102 ALA N N 93 127.523 127.523 121.732 5.791 18223
1321 1 3 . 1 1 102 102 ALA C C 93 179.370 179.370 179.849 -0.479 18223
1322 1 3 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.299 -2.461 18223
1323 1 3 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.152 0.866 18223
1324 1 3 . 1 1 102 102 ALA H H 93 8.110 8.110 8.349 -0.239 18223
1325 1 3 . 1 1 103 103 GLY N N 94 109.013 109.013 106.885 2.128 18223
1326 1 3 . 1 1 103 103 GLY C C 94 175.290 175.290 175.886 -0.596 18223
1327 1 3 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.897 -1.477 18223
1328 1 3 . 1 1 103 103 GLY H H 94 8.180 8.180 7.910 0.270 18223
1329 1 3 . 1 1 104 104 ALA N N 95 123.130 123.130 124.264 -1.134 18223
1330 1 3 . 1 1 104 104 ALA C C 95 180.040 180.040 179.808 0.232 18223
1331 1 3 . 1 1 104 104 ALA H H 95 8.230 8.230 8.039 0.191 18223
1332 1 3 . 1 1 105 105 SER N N 96 114.606 114.606 115.066 -0.460 18223
1333 1 3 . 1 1 105 105 SER C C 96 176.140 176.140 176.786 -0.646 18223
1334 1 3 . 1 1 105 105 SER H H 96 7.915 7.915 8.316 -0.401 18223
1335 1 3 . 1 1 106 106 LEU N N 97 122.651 122.651 122.943 -0.292 18223
1336 1 3 . 1 1 106 106 LEU C C 97 179.140 179.140 178.040 1.100 18223
1337 1 3 . 1 1 106 106 LEU H H 97 8.066 8.066 7.994 0.072 18223
1338 1 3 . 1 1 108 108 MET N N 99 118.381 118.381 118.707 -0.326 18223
1339 1 3 . 1 1 108 108 MET C C 99 178.830 178.830 178.497 0.333 18223
1340 1 3 . 1 1 108 108 MET CA C 99 58.730 58.730 59.788 -1.058 18223
1341 1 3 . 1 1 108 108 MET H H 99 7.682 7.682 8.133 -0.451 18223
1342 1 3 . 1 1 109 109 VAL N N 100 118.713 118.713 119.201 -0.488 18223
1343 1 3 . 1 1 109 109 VAL C C 100 177.930 177.930 177.315 0.615 18223
1344 1 3 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.688 -0.458 18223
1345 1 3 . 1 1 109 109 VAL H H 100 7.821 7.821 8.148 -0.327 18223
1346 1 3 . 1 1 110 110 ALA N N 101 122.160 122.160 121.467 0.693 18223
1347 1 3 . 1 1 110 110 ALA C C 101 180.470 180.470 179.331 1.139 18223
1348 1 3 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.372 -0.032 18223
1349 1 3 . 1 1 110 110 ALA H H 101 8.110 8.110 8.034 0.076 18223
1350 1 3 . 1 1 111 111 LYS N N 102 120.260 120.260 118.829 1.431 18223
1351 1 3 . 1 1 111 111 LYS C C 102 177.490 177.490 178.947 -1.457 18223
1352 1 3 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.452 -1.962 18223
1353 1 3 . 1 1 111 111 LYS H H 102 7.870 7.870 7.735 0.135 18223
1354 1 3 . 1 1 112 112 VAL N N 103 120.410 120.410 117.965 2.445 18223
1355 1 3 . 1 1 112 112 VAL C C 103 176.240 176.240 177.905 -1.665 18223
1356 1 3 . 1 1 112 112 VAL CA C 103 65.720 65.720 66.099 -0.379 18223
1357 1 3 . 1 1 112 112 VAL H H 103 7.990 7.990 7.996 -0.006 18223
1358 1 3 . 1 1 113 113 GLY N N 104 108.926 108.926 106.986 1.940 18223
1359 1 3 . 1 1 113 113 GLY C C 104 175.150 175.150 175.040 0.110 18223
1360 1 3 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.870 1.780 18223
1361 1 3 . 1 1 113 113 GLY H H 104 8.477 8.477 7.883 0.594 18223
1362 1 3 . 1 1 114 114 VAL N N 105 119.350 119.350 121.059 -1.709 18223
1363 1 3 . 1 1 114 114 VAL C C 105 178.390 178.390 176.041 2.349 18223
1364 1 3 . 1 1 114 114 VAL CA C 105 66.140 66.140 64.066 2.074 18223
1365 1 3 . 1 1 114 114 VAL H H 105 8.310 8.310 7.894 0.416 18223
1366 1 3 . 1 1 115 115 SER N N 106 115.964 115.964 122.424 -6.460 18223
1367 1 3 . 1 1 115 115 SER C C 106 177.250 177.250 173.664 3.586 18223
1368 1 3 . 1 1 115 115 SER CA C 106 61.130 61.130 59.032 2.098 18223
1369 1 3 . 1 1 115 115 SER H H 106 7.815 7.815 8.587 -0.772 18223
1370 1 3 . 1 1 116 116 MET N N 107 120.190 120.190 124.694 -4.504 18223
1371 1 3 . 1 1 116 116 MET C C 107 177.190 177.190 174.548 2.642 18223
1372 1 3 . 1 1 116 116 MET CA C 107 57.450 57.450 55.748 1.702 18223
1373 1 3 . 1 1 116 116 MET H H 107 7.820 7.820 8.077 -0.257 18223
1374 1 3 . 1 1 117 117 PHE N N 108 117.325 117.325 120.410 -3.085 18223
1375 1 3 . 1 1 117 117 PHE C C 108 175.740 175.740 173.808 1.932 18223
1376 1 3 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.718 0.152 18223
1377 1 3 . 1 1 117 117 PHE H H 108 7.735 7.735 8.481 -0.746 18223
1378 1 3 . 1 1 118 118 ASN N N 109 118.878 118.878 119.506 -0.628 18223
1379 1 3 . 1 1 118 118 ASN C C 109 174.830 174.830 174.113 0.717 18223
1380 1 3 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.479 0.581 18223
1381 1 3 . 1 1 118 118 ASN CB C 109 39.065 39.065 40.660 -1.595 18223
1382 1 3 . 1 1 118 118 ASN H H 109 7.907 7.907 8.491 -0.584 18223
1383 1 3 . 1 1 119 119 ARG N N 110 122.870 122.870 122.376 0.494 18223
1384 1 3 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.548 -1.398 18223
1385 1 3 . 1 1 119 119 ARG H H 110 7.894 7.894 8.626 -0.732 18223
1386 1 3 . 1 1 120 120 PRO C C 111 176.590 176.590 176.483 0.107 18223
1387 1 4 . 1 1 11 11 GLN C C 2 176.170 176.170 174.074 2.096 18223
1388 1 4 . 1 1 12 12 ASP N N 3 120.369 120.369 121.110 -0.741 18223
1389 1 4 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.787 -0.637 18223
1390 1 4 . 1 1 12 12 ASP C C 3 176.980 176.980 175.939 1.041 18223
1391 1 4 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.634 1.203 18223
1392 1 4 . 1 1 12 12 ASP CB C 3 40.796 40.796 40.962 -0.166 18223
1393 1 4 . 1 1 12 12 ASP H H 3 8.275 8.275 7.975 0.300 18223
1394 1 4 . 1 1 13 13 THR N N 4 114.220 114.220 117.537 -3.317 18223
1395 1 4 . 1 1 13 13 THR HA H 4 4.636 4.636 3.954 0.682 18223
1396 1 4 . 1 1 13 13 THR C C 4 175.530 175.530 174.758 0.772 18223
1397 1 4 . 1 1 13 13 THR CA C 4 62.790 62.790 62.831 -0.041 18223
1398 1 4 . 1 1 13 13 THR CB C 4 69.134 69.134 69.437 -0.303 18223
1399 1 4 . 1 1 13 13 THR H H 4 7.990 7.990 8.553 -0.563 18223
1400 1 4 . 1 1 14 14 SER N N 5 117.664 117.664 117.477 0.187 18223
1401 1 4 . 1 1 14 14 SER HA H 5 4.296 4.296 4.324 -0.028 18223
1402 1 4 . 1 1 14 14 SER C C 5 175.200 175.200 175.199 0.001 18223
1403 1 4 . 1 1 14 14 SER CA C 5 59.443 59.443 59.664 -0.221 18223
1404 1 4 . 1 1 14 14 SER CB C 5 63.438 63.438 63.725 -0.287 18223
1405 1 4 . 1 1 14 14 SER H H 5 8.255 8.255 8.526 -0.271 18223
1406 1 4 . 1 1 15 15 SER N N 6 117.093 117.093 119.550 -2.457 18223
1407 1 4 . 1 1 15 15 SER HA H 6 4.317 4.317 4.370 -0.053 18223
1408 1 4 . 1 1 15 15 SER C C 6 174.770 174.770 173.832 0.938 18223
1409 1 4 . 1 1 15 15 SER CA C 6 58.737 58.737 58.151 0.586 18223
1410 1 4 . 1 1 15 15 SER CB C 6 63.656 63.656 61.614 2.042 18223
1411 1 4 . 1 1 15 15 SER H H 6 8.050 8.050 8.772 -0.722 18223
1412 1 4 . 1 1 16 16 VAL N N 7 119.995 119.995 117.890 2.105 18223
1413 1 4 . 1 1 16 16 VAL C C 7 176.150 176.150 174.290 1.860 18223
1414 1 4 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.379 -0.636 18223
1415 1 4 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.446 1.769 18223
1416 1 4 . 1 1 16 16 VAL H H 7 7.775 7.775 7.866 -0.091 18223
1417 1 4 . 1 1 17 17 VAL N N 8 121.090 121.090 117.507 3.583 18223
1418 1 4 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.263 1.647 18223
1419 1 4 . 1 1 17 17 VAL H H 8 7.730 7.730 7.601 0.129 18223
1420 1 4 . 1 1 18 18 PRO C C 9 178.410 178.410 177.762 0.648 18223
1421 1 4 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.010 1.500 18223
1422 1 4 . 1 1 19 19 LEU N N 10 121.410 121.410 122.514 -1.104 18223
1423 1 4 . 1 1 19 19 LEU C C 10 178.910 178.910 178.914 -0.004 18223
1424 1 4 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.230 -2.380 18223
1425 1 4 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.284 0.161 18223
1426 1 4 . 1 1 19 19 LEU H H 10 7.930 7.930 8.426 -0.496 18223
1427 1 4 . 1 1 20 20 HIS N N 11 116.900 116.900 117.039 -0.139 18223
1428 1 4 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.351 0.280 18223
1429 1 4 . 1 1 20 20 HIS C C 11 174.990 174.990 178.098 -3.108 18223
1430 1 4 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.396 -2.396 18223
1431 1 4 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.526 -1.566 18223
1432 1 4 . 1 1 20 20 HIS H H 11 8.384 8.384 8.248 0.136 18223
1433 1 4 . 1 1 21 21 TRP C C 12 177.660 177.660 179.014 -1.354 18223
1434 1 4 . 1 1 22 22 PHE N N 13 119.238 119.238 119.115 0.123 18223
1435 1 4 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.138 0.150 18223
1436 1 4 . 1 1 22 22 PHE C C 13 177.410 177.410 178.129 -0.719 18223
1437 1 4 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.556 -1.858 18223
1438 1 4 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.864 -0.520 18223
1439 1 4 . 1 1 22 22 PHE H H 13 7.883 7.883 8.765 -0.882 18223
1440 1 4 . 1 1 23 23 GLY N N 14 107.209 107.209 106.308 0.901 18223
1441 1 4 . 1 1 23 23 GLY C C 14 176.220 176.220 176.176 0.044 18223
1442 1 4 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.336 -0.256 18223
1443 1 4 . 1 1 23 23 GLY H H 14 7.911 7.911 8.525 -0.614 18223
1444 1 4 . 1 1 24 24 PHE N N 15 121.880 121.880 123.372 -1.492 18223
1445 1 4 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.483 -0.070 18223
1446 1 4 . 1 1 24 24 PHE C C 15 177.840 177.840 177.881 -0.041 18223
1447 1 4 . 1 1 24 24 PHE CA C 15 60.090 60.090 59.310 0.780 18223
1448 1 4 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.111 -0.262 18223
1449 1 4 . 1 1 24 24 PHE H H 15 7.900 7.900 8.506 -0.606 18223
1450 1 4 . 1 1 25 25 GLY N N 16 107.640 107.640 107.644 -0.004 18223
1451 1 4 . 1 1 25 25 GLY C C 16 174.910 174.910 175.721 -0.811 18223
1452 1 4 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.212 0.117 18223
1453 1 4 . 1 1 25 25 GLY H H 16 8.320 8.320 8.823 -0.503 18223
1454 1 4 . 1 1 26 26 TYR N N 17 121.804 121.804 123.225 -1.421 18223
1455 1 4 . 1 1 26 26 TYR C C 17 177.120 177.120 176.877 0.243 18223
1456 1 4 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.046 0.624 18223
1457 1 4 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.489 -0.088 18223
1458 1 4 . 1 1 26 26 TYR H H 17 8.365 8.365 8.221 0.144 18223
1459 1 4 . 1 1 27 27 ALA N N 18 120.785 120.785 121.152 -0.367 18223
1460 1 4 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.944 -0.061 18223
1461 1 4 . 1 1 27 27 ALA C C 18 178.790 178.790 179.232 -0.442 18223
1462 1 4 . 1 1 27 27 ALA CA C 18 55.040 55.040 54.988 0.052 18223
1463 1 4 . 1 1 27 27 ALA CB C 18 17.721 17.721 18.025 -0.304 18223
1464 1 4 . 1 1 27 27 ALA H H 18 7.949 7.949 8.411 -0.462 18223
1465 1 4 . 1 1 28 28 ALA N N 19 120.210 120.210 120.678 -0.468 18223
1466 1 4 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.428 0.422 18223
1467 1 4 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.434 -0.713 18223
1468 1 4 . 1 1 28 28 ALA H H 19 7.870 7.870 8.392 -0.522 18223
1469 1 4 . 1 1 29 29 LEU N N 20 120.090 120.090 120.967 -0.877 18223
1470 1 4 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.123 -6.123 18223
1471 1 4 . 1 1 29 29 LEU H H 20 8.000 8.000 7.701 0.299 18223
1472 1 4 . 1 1 30 30 VAL N N 21 118.299 118.299 116.550 1.749 18223
1473 1 4 . 1 1 30 30 VAL C C 21 178.920 178.920 177.761 1.159 18223
1474 1 4 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.205 -0.585 18223
1475 1 4 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.116 0.161 18223
1476 1 4 . 1 1 30 30 VAL H H 21 7.947 7.947 7.976 -0.029 18223
1477 1 4 . 1 1 31 31 ALA N N 22 122.600 122.600 121.900 0.700 18223
1478 1 4 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.970 0.203 18223
1479 1 4 . 1 1 31 31 ALA C C 22 179.540 179.540 179.484 0.056 18223
1480 1 4 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.323 -1.115 18223
1481 1 4 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.928 0.514 18223
1482 1 4 . 1 1 31 31 ALA H H 22 7.819 7.819 8.235 -0.416 18223
1483 1 4 . 1 1 32 32 SER N N 23 113.502 113.502 116.056 -2.554 18223
1484 1 4 . 1 1 32 32 SER HA H 23 4.015 4.015 3.997 0.018 18223
1485 1 4 . 1 1 32 32 SER C C 23 175.890 175.890 176.945 -1.055 18223
1486 1 4 . 1 1 32 32 SER CA C 23 60.490 60.490 62.528 -2.038 18223
1487 1 4 . 1 1 32 32 SER CB C 23 63.510 63.510 62.554 0.956 18223
1488 1 4 . 1 1 32 32 SER H H 23 7.826 7.826 8.334 -0.508 18223
1489 1 4 . 1 1 33 33 GLY N N 24 109.939 109.939 107.907 2.032 18223
1490 1 4 . 1 1 33 33 GLY C C 24 176.180 176.180 175.566 0.614 18223
1491 1 4 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.767 -0.117 18223
1492 1 4 . 1 1 33 33 GLY H H 24 7.985 7.985 8.410 -0.425 18223
1493 1 4 . 1 1 34 34 GLY N N 25 109.396 109.396 110.207 -0.811 18223
1494 1 4 . 1 1 34 34 GLY C C 25 175.330 175.330 176.067 -0.737 18223
1495 1 4 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.694 -0.525 18223
1496 1 4 . 1 1 34 34 GLY H H 25 8.235 8.235 7.778 0.457 18223
1497 1 4 . 1 1 35 35 ILE N N 26 120.211 120.211 123.266 -3.055 18223
1498 1 4 . 1 1 35 35 ILE C C 26 177.400 177.400 178.166 -0.766 18223
1499 1 4 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.414 -1.584 18223
1500 1 4 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.161 -0.322 18223
1501 1 4 . 1 1 35 35 ILE H H 26 7.998 7.998 8.063 -0.065 18223
1502 1 4 . 1 1 36 36 ILE N N 27 120.051 120.051 118.818 1.233 18223
1503 1 4 . 1 1 36 36 ILE C C 27 177.900 177.900 177.757 0.143 18223
1504 1 4 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.989 -1.139 18223
1505 1 4 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.998 -0.168 18223
1506 1 4 . 1 1 36 36 ILE H H 27 7.998 7.998 8.643 -0.645 18223
1507 1 4 . 1 1 37 37 GLY N N 28 107.531 107.531 107.630 -0.099 18223
1508 1 4 . 1 1 37 37 GLY C C 28 176.120 176.120 176.309 -0.189 18223
1509 1 4 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.479 0.321 18223
1510 1 4 . 1 1 37 37 GLY H H 28 7.983 7.983 7.457 0.526 18223
1511 1 4 . 1 1 38 38 TYR N N 29 120.900 120.900 121.340 -0.440 18223
1512 1 4 . 1 1 38 38 TYR C C 29 176.530 176.530 177.847 -1.317 18223
1513 1 4 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.388 -0.658 18223
1514 1 4 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.511 -0.023 18223
1515 1 4 . 1 1 38 38 TYR H H 29 7.726 7.726 7.995 -0.269 18223
1516 1 4 . 1 1 39 39 VAL N N 30 117.958 117.958 115.016 2.942 18223
1517 1 4 . 1 1 39 39 VAL C C 30 177.600 177.600 176.933 0.667 18223
1518 1 4 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.352 0.023 18223
1519 1 4 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.555 -1.134 18223
1520 1 4 . 1 1 39 39 VAL H H 30 7.849 7.849 8.395 -0.546 18223
1521 1 4 . 1 1 40 40 LYS N N 31 120.116 120.116 116.278 3.838 18223
1522 1 4 . 1 1 40 40 LYS C C 31 177.090 177.090 174.807 2.283 18223
1523 1 4 . 1 1 40 40 LYS CA C 31 57.770 57.770 57.955 -0.185 18223
1524 1 4 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.792 0.423 18223
1525 1 4 . 1 1 40 40 LYS H H 31 8.072 8.072 7.715 0.357 18223
1526 1 4 . 1 1 41 41 ALA N N 32 122.082 122.082 119.438 2.644 18223
1527 1 4 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.375 -0.134 18223
1528 1 4 . 1 1 41 41 ALA C C 32 178.780 178.780 176.116 2.664 18223
1529 1 4 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.997 1.263 18223
1530 1 4 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.060 -0.330 18223
1531 1 4 . 1 1 41 41 ALA H H 32 7.786 7.786 7.631 0.155 18223
1532 1 4 . 1 1 42 42 GLY N N 33 106.746 106.746 105.840 0.906 18223
1533 1 4 . 1 1 42 42 GLY C C 33 174.790 174.790 174.161 0.629 18223
1534 1 4 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.226 0.594 18223
1535 1 4 . 1 1 42 42 GLY H H 33 7.964 7.964 8.289 -0.325 18223
1536 1 4 . 1 1 43 43 SER N N 34 115.541 115.541 116.243 -0.702 18223
1537 1 4 . 1 1 43 43 SER HA H 34 4.491 4.491 4.262 0.229 18223
1538 1 4 . 1 1 43 43 SER C C 34 174.920 174.920 175.328 -0.408 18223
1539 1 4 . 1 1 43 43 SER CA C 34 58.730 58.730 58.989 -0.259 18223
1540 1 4 . 1 1 43 43 SER CB C 34 63.798 63.798 63.712 0.086 18223
1541 1 4 . 1 1 43 43 SER H H 34 8.049 8.049 7.959 0.090 18223
1542 1 4 . 1 1 44 44 VAL N N 35 121.887 121.887 126.602 -4.715 18223
1543 1 4 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.896 -1.566 18223
1544 1 4 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.329 -0.999 18223
1545 1 4 . 1 1 44 44 VAL H H 35 8.332 8.332 8.722 -0.390 18223
1546 1 4 . 1 1 46 46 SER N N 37 113.762 113.762 113.405 0.357 18223
1547 1 4 . 1 1 46 46 SER CA C 37 61.130 61.130 61.828 -0.698 18223
1548 1 4 . 1 1 46 46 SER CB C 37 62.789 62.789 63.004 -0.215 18223
1549 1 4 . 1 1 46 46 SER H H 37 7.924 7.924 8.152 -0.228 18223
1550 1 4 . 1 1 47 47 LEU N N 38 124.450 124.450 121.478 2.972 18223
1551 1 4 . 1 1 47 47 LEU C C 38 176.440 176.440 178.427 -1.987 18223
1552 1 4 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.400 -0.040 18223
1553 1 4 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.040 0.765 18223
1554 1 4 . 1 1 47 47 LEU H H 38 8.108 8.108 7.525 0.583 18223
1555 1 4 . 1 1 48 48 ALA N N 39 121.290 121.290 120.888 0.402 18223
1556 1 4 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.129 -0.519 18223
1557 1 4 . 1 1 48 48 ALA H H 39 8.250 8.250 7.741 0.509 18223
1558 1 4 . 1 1 49 49 ALA N N 40 120.070 120.070 119.289 0.781 18223
1559 1 4 . 1 1 49 49 ALA C C 40 179.910 179.910 179.696 0.214 18223
1560 1 4 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.731 0.379 18223
1561 1 4 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.343 -0.262 18223
1562 1 4 . 1 1 49 49 ALA H H 40 8.145 8.145 8.472 -0.327 18223
1563 1 4 . 1 1 50 50 GLY N N 41 104.977 104.977 107.879 -2.902 18223
1564 1 4 . 1 1 50 50 GLY C C 41 174.870 174.870 175.795 -0.925 18223
1565 1 4 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.737 0.188 18223
1566 1 4 . 1 1 50 50 GLY H H 41 8.103 8.103 7.789 0.314 18223
1567 1 4 . 1 1 51 51 LEU N N 42 122.431 122.431 122.564 -0.133 18223
1568 1 4 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.993 -0.663 18223
1569 1 4 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.178 -0.373 18223
1570 1 4 . 1 1 51 51 LEU H H 42 7.796 7.796 7.876 -0.080 18223
1571 1 4 . 1 1 52 52 LEU N N 43 119.483 119.483 120.772 -1.289 18223
1572 1 4 . 1 1 52 52 LEU C C 43 179.910 179.910 178.607 1.303 18223
1573 1 4 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.366 -0.596 18223
1574 1 4 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.878 -0.506 18223
1575 1 4 . 1 1 52 52 LEU H H 43 7.862 7.862 8.014 -0.152 18223
1576 1 4 . 1 1 53 53 PHE N N 44 117.117 117.117 118.095 -0.978 18223
1577 1 4 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.217 0.154 18223
1578 1 4 . 1 1 53 53 PHE C C 44 178.530 178.530 177.696 0.834 18223
1579 1 4 . 1 1 53 53 PHE CA C 44 60.150 60.150 60.842 -0.692 18223
1580 1 4 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.925 -0.797 18223
1581 1 4 . 1 1 53 53 PHE H H 44 8.343 8.343 8.499 -0.156 18223
1582 1 4 . 1 1 54 54 GLY N N 45 107.605 107.605 107.901 -0.296 18223
1583 1 4 . 1 1 54 54 GLY C C 45 176.400 176.400 175.477 0.923 18223
1584 1 4 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.396 -0.646 18223
1585 1 4 . 1 1 54 54 GLY H H 45 8.150 8.150 7.991 0.159 18223
1586 1 4 . 1 1 55 55 SER N N 46 117.713 117.713 118.178 -0.465 18223
1587 1 4 . 1 1 55 55 SER C C 46 176.130 176.130 176.879 -0.749 18223
1588 1 4 . 1 1 55 55 SER CA C 46 61.240 61.240 61.065 0.175 18223
1589 1 4 . 1 1 55 55 SER CB C 46 63.294 63.294 63.157 0.136 18223
1590 1 4 . 1 1 55 55 SER H H 46 7.942 7.942 7.913 0.029 18223
1591 1 4 . 1 1 56 56 LEU N N 47 121.618 121.618 122.827 -1.209 18223
1592 1 4 . 1 1 56 56 LEU C C 47 178.510 178.510 177.604 0.906 18223
1593 1 4 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.869 -1.109 18223
1594 1 4 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.600 -0.444 18223
1595 1 4 . 1 1 56 56 LEU H H 47 7.910 7.910 8.023 -0.113 18223
1596 1 4 . 1 1 57 57 ALA N N 48 121.557 121.557 120.470 1.087 18223
1597 1 4 . 1 1 57 57 ALA C C 48 180.040 180.040 179.541 0.499 18223
1598 1 4 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.679 -0.129 18223
1599 1 4 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.017 0.064 18223
1600 1 4 . 1 1 57 57 ALA H H 48 7.878 7.878 7.931 -0.053 18223
1601 1 4 . 1 1 58 58 GLY N N 49 106.435 106.435 107.790 -1.355 18223
1602 1 4 . 1 1 58 58 GLY C C 49 175.740 175.740 176.446 -0.706 18223
1603 1 4 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.191 -0.911 18223
1604 1 4 . 1 1 58 58 GLY H H 49 8.085 8.085 7.961 0.124 18223
1605 1 4 . 1 1 59 59 LEU N N 50 121.230 121.230 122.341 -1.111 18223
1606 1 4 . 1 1 59 59 LEU C C 50 178.390 178.390 179.504 -1.114 18223
1607 1 4 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.520 -1.090 18223
1608 1 4 . 1 1 59 59 LEU CB C 50 41.661 41.661 40.636 1.025 18223
1609 1 4 . 1 1 59 59 LEU H H 50 7.770 7.770 8.203 -0.433 18223
1610 1 4 . 1 1 60 60 GLY N N 51 106.525 106.525 107.104 -0.579 18223
1611 1 4 . 1 1 60 60 GLY C C 51 174.820 174.820 175.717 -0.897 18223
1612 1 4 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.802 -0.512 18223
1613 1 4 . 1 1 60 60 GLY H H 51 8.090 8.090 7.697 0.393 18223
1614 1 4 . 1 1 61 61 ALA N N 52 122.773 122.773 125.874 -3.101 18223
1615 1 4 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.284 -0.182 18223
1616 1 4 . 1 1 61 61 ALA C C 52 178.320 178.320 177.647 0.673 18223
1617 1 4 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.251 -0.831 18223
1618 1 4 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.014 -0.572 18223
1619 1 4 . 1 1 61 61 ALA H H 52 7.819 7.819 8.423 -0.604 18223
1620 1 4 . 1 1 62 62 TYR N N 53 118.481 118.481 115.690 2.791 18223
1621 1 4 . 1 1 62 62 TYR C C 53 176.390 176.390 174.478 1.912 18223
1622 1 4 . 1 1 62 62 TYR CA C 53 59.000 59.000 55.770 3.230 18223
1623 1 4 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.938 1.406 18223
1624 1 4 . 1 1 62 62 TYR H H 53 7.794 7.794 7.760 0.034 18223
1625 1 4 . 1 1 63 63 GLN N N 54 120.770 120.770 119.508 1.262 18223
1626 1 4 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.460 0.100 18223
1627 1 4 . 1 1 63 63 GLN CB C 54 28.648 28.648 30.916 -2.268 18223
1628 1 4 . 1 1 63 63 GLN H H 54 8.033 8.033 8.615 -0.582 18223
1629 1 4 . 1 1 64 64 LEU N N 55 121.847 121.847 120.119 1.728 18223
1630 1 4 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.591 -0.421 18223
1631 1 4 . 1 1 64 64 LEU C C 55 177.790 177.790 175.188 2.602 18223
1632 1 4 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.996 0.014 18223
1633 1 4 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.062 -0.257 18223
1634 1 4 . 1 1 64 64 LEU H H 55 8.018 8.018 8.095 -0.077 18223
1635 1 4 . 1 1 65 65 SER N N 56 113.937 113.937 116.988 -3.051 18223
1636 1 4 . 1 1 65 65 SER C C 56 174.710 174.710 172.814 1.896 18223
1637 1 4 . 1 1 65 65 SER CA C 56 59.050 59.050 58.724 0.326 18223
1638 1 4 . 1 1 65 65 SER CB C 56 63.554 63.554 63.585 -0.031 18223
1639 1 4 . 1 1 65 65 SER H H 56 7.892 7.892 8.649 -0.757 18223
1640 1 4 . 1 1 66 66 GLN N N 57 120.154 120.154 120.780 -0.626 18223
1641 1 4 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.406 -0.163 18223
1642 1 4 . 1 1 66 66 GLN C C 57 175.760 175.760 173.735 2.025 18223
1643 1 4 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.478 -0.828 18223
1644 1 4 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.788 -0.240 18223
1645 1 4 . 1 1 66 66 GLN H H 57 7.625 7.625 8.088 -0.463 18223
1646 1 4 . 1 1 67 67 ASP N N 58 120.090 120.090 122.067 -1.977 18223
1647 1 4 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.767 -2.767 18223
1648 1 4 . 1 1 67 67 ASP H H 58 8.000 8.000 8.462 -0.462 18223
1649 1 4 . 1 1 68 68 PRO C C 59 177.890 177.890 178.438 -0.548 18223
1650 1 4 . 1 1 69 69 ARG N N 60 117.806 117.806 119.847 -2.041 18223
1651 1 4 . 1 1 69 69 ARG C C 60 178.330 178.330 178.555 -0.225 18223
1652 1 4 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.149 -1.254 18223
1653 1 4 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.299 -0.097 18223
1654 1 4 . 1 1 69 69 ARG H H 60 8.402 8.402 8.532 -0.130 18223
1655 1 4 . 1 1 70 70 ASN N N 61 116.920 116.920 116.093 0.827 18223
1656 1 4 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.330 -1.030 18223
1657 1 4 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.962 0.105 18223
1658 1 4 . 1 1 70 70 ASN H H 61 7.930 7.930 8.397 -0.467 18223
1659 1 4 . 1 1 71 71 VAL N N 62 120.795 120.795 121.755 -0.960 18223
1660 1 4 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.679 -0.752 18223
1661 1 4 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.982 -0.988 18223
1662 1 4 . 1 1 71 71 VAL H H 62 7.783 7.783 7.688 0.095 18223
1663 1 4 . 1 1 72 72 TRP N N 63 120.550 120.550 120.419 0.131 18223
1664 1 4 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.335 0.082 18223
1665 1 4 . 1 1 72 72 TRP C C 63 177.850 177.850 178.737 -0.887 18223
1666 1 4 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.653 -2.523 18223
1667 1 4 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.023 0.290 18223
1668 1 4 . 1 1 72 72 TRP H H 63 7.760 7.760 8.581 -0.821 18223
1669 1 4 . 1 1 73 73 VAL N N 64 117.896 117.896 118.628 -0.732 18223
1670 1 4 . 1 1 73 73 VAL C C 64 179.270 179.270 178.352 0.918 18223
1671 1 4 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.936 -0.407 18223
1672 1 4 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.380 -0.072 18223
1673 1 4 . 1 1 73 73 VAL H H 64 7.905 7.905 8.254 -0.349 18223
1674 1 4 . 1 1 74 74 PHE N N 65 122.086 122.086 119.383 2.703 18223
1675 1 4 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.365 -0.140 18223
1676 1 4 . 1 1 74 74 PHE C C 65 177.760 177.760 177.700 0.060 18223
1677 1 4 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.156 0.135 18223
1678 1 4 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.784 -0.224 18223
1679 1 4 . 1 1 74 74 PHE H H 65 7.857 7.857 8.167 -0.310 18223
1680 1 4 . 1 1 75 75 LEU N N 66 121.304 121.304 122.185 -0.881 18223
1681 1 4 . 1 1 75 75 LEU C C 66 179.060 179.060 178.636 0.424 18223
1682 1 4 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.716 -0.916 18223
1683 1 4 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.721 -0.421 18223
1684 1 4 . 1 1 75 75 LEU H H 66 8.326 8.326 8.462 -0.136 18223
1685 1 4 . 1 1 76 76 ALA N N 67 120.420 120.420 120.288 0.132 18223
1686 1 4 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.934 0.462 18223
1687 1 4 . 1 1 76 76 ALA C C 67 180.180 180.180 179.337 0.843 18223
1688 1 4 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.242 -0.652 18223
1689 1 4 . 1 1 76 76 ALA H H 67 8.283 8.283 8.284 -0.001 18223
1690 1 4 . 1 1 77 77 THR N N 68 111.152 111.152 115.570 -4.418 18223
1691 1 4 . 1 1 77 77 THR C C 68 175.830 175.830 176.962 -1.132 18223
1692 1 4 . 1 1 77 77 THR CA C 68 64.159 64.159 67.264 -3.105 18223
1693 1 4 . 1 1 77 77 THR CB C 68 69.711 69.711 68.443 1.268 18223
1694 1 4 . 1 1 77 77 THR H H 68 7.951 7.951 8.038 -0.087 18223
1695 1 4 . 1 1 78 78 SER N N 69 117.883 117.883 117.027 0.856 18223
1696 1 4 . 1 1 78 78 SER C C 69 176.000 176.000 176.950 -0.950 18223
1697 1 4 . 1 1 78 78 SER CA C 69 60.730 60.730 61.674 -0.944 18223
1698 1 4 . 1 1 78 78 SER H H 69 7.839 7.839 8.211 -0.372 18223
1699 1 4 . 1 1 79 79 GLY N N 70 111.078 111.078 110.015 1.063 18223
1700 1 4 . 1 1 79 79 GLY C C 70 175.830 175.830 176.320 -0.490 18223
1701 1 4 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.548 -0.838 18223
1702 1 4 . 1 1 79 79 GLY H H 70 8.269 8.269 8.232 0.037 18223
1703 1 4 . 1 1 80 80 THR N N 71 117.727 117.727 119.204 -1.477 18223
1704 1 4 . 1 1 80 80 THR C C 71 176.110 176.110 176.554 -0.444 18223
1705 1 4 . 1 1 80 80 THR CA C 71 66.178 66.178 66.680 -0.502 18223
1706 1 4 . 1 1 80 80 THR CB C 71 68.630 68.630 68.948 -0.318 18223
1707 1 4 . 1 1 80 80 THR H H 71 7.823 7.823 7.921 -0.098 18223
1708 1 4 . 1 1 81 81 LEU N N 72 121.422 121.422 121.594 -0.172 18223
1709 1 4 . 1 1 81 81 LEU C C 72 178.620 178.620 179.149 -0.529 18223
1710 1 4 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.607 -0.917 18223
1711 1 4 . 1 1 81 81 LEU H H 72 7.846 7.846 8.313 -0.467 18223
1712 1 4 . 1 1 82 82 ALA N N 73 121.160 121.160 119.728 1.432 18223
1713 1 4 . 1 1 82 82 ALA C C 73 180.440 180.440 180.225 0.215 18223
1714 1 4 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.327 0.854 18223
1715 1 4 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.715 -0.850 18223
1716 1 4 . 1 1 82 82 ALA H H 73 8.050 8.050 8.486 -0.436 18223
1717 1 4 . 1 1 83 83 GLY N N 74 106.017 106.017 107.421 -1.404 18223
1718 1 4 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.760 0.250 18223
1719 1 4 . 1 1 83 83 GLY H H 74 8.132 8.132 7.820 0.312 18223
1720 1 4 . 1 1 84 84 ILE N N 75 122.030 122.030 119.891 2.139 18223
1721 1 4 . 1 1 84 84 ILE C C 75 178.530 178.530 176.381 2.149 18223
1722 1 4 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.377 1.353 18223
1723 1 4 . 1 1 84 84 ILE CB C 75 37.767 37.767 37.979 -0.212 18223
1724 1 4 . 1 1 84 84 ILE H H 75 7.930 7.930 7.886 0.044 18223
1725 1 4 . 1 1 85 85 MET N N 76 117.920 117.920 114.405 3.515 18223
1726 1 4 . 1 1 85 85 MET CA C 76 57.810 57.810 53.706 4.104 18223
1727 1 4 . 1 1 85 85 MET H H 76 8.140 8.140 6.903 1.237 18223
1728 1 4 . 1 1 86 86 GLY N N 77 109.118 109.118 108.201 0.917 18223
1729 1 4 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.194 1.577 18223
1730 1 4 . 1 1 86 86 GLY H H 77 7.920 7.920 8.245 -0.325 18223
1731 1 4 . 1 1 87 87 MET N N 78 119.220 119.220 121.064 -1.844 18223
1732 1 4 . 1 1 87 87 MET CA C 78 55.810 55.810 56.700 -0.890 18223
1733 1 4 . 1 1 87 87 MET H H 78 7.950 7.950 8.400 -0.450 18223
1734 1 4 . 1 1 88 88 ARG N N 79 120.090 120.090 121.260 -1.170 18223
1735 1 4 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.817 -4.817 18223
1736 1 4 . 1 1 88 88 ARG H H 79 8.000 8.000 8.698 -0.698 18223
1737 1 4 . 1 1 90 90 TYR C C 81 176.310 176.310 176.169 0.141 18223
1738 1 4 . 1 1 91 91 HIS N N 82 118.270 118.270 123.959 -5.689 18223
1739 1 4 . 1 1 91 91 HIS C C 82 174.940 174.940 175.116 -0.176 18223
1740 1 4 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.674 -0.824 18223
1741 1 4 . 1 1 91 91 HIS H H 82 8.130 8.130 8.427 -0.297 18223
1742 1 4 . 1 1 92 92 SER N N 83 115.818 115.818 115.155 0.663 18223
1743 1 4 . 1 1 92 92 SER C C 83 175.470 175.470 174.909 0.561 18223
1744 1 4 . 1 1 92 92 SER CA C 83 59.430 59.430 58.157 1.272 18223
1745 1 4 . 1 1 92 92 SER CB C 83 63.870 63.870 62.892 0.978 18223
1746 1 4 . 1 1 92 92 SER H H 83 8.007 8.007 8.223 -0.216 18223
1747 1 4 . 1 1 93 93 GLY N N 84 110.518 110.518 109.283 1.235 18223
1748 1 4 . 1 1 93 93 GLY C C 84 174.740 174.740 173.477 1.263 18223
1749 1 4 . 1 1 93 93 GLY CA C 84 45.930 45.930 46.112 -0.182 18223
1750 1 4 . 1 1 93 93 GLY H H 84 8.099 8.099 8.410 -0.311 18223
1751 1 4 . 1 1 94 94 LYS N N 85 120.088 120.088 121.331 -1.243 18223
1752 1 4 . 1 1 94 94 LYS CA C 85 56.443 56.443 55.345 1.098 18223
1753 1 4 . 1 1 94 94 LYS CB C 85 32.359 32.359 31.803 0.556 18223
1754 1 4 . 1 1 94 94 LYS H H 85 7.810 7.810 8.057 -0.247 18223
1755 1 4 . 1 1 95 95 PHE N N 86 118.766 118.766 117.450 1.316 18223
1756 1 4 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.756 -0.946 18223
1757 1 4 . 1 1 95 95 PHE CB C 86 39.281 39.281 37.642 1.639 18223
1758 1 4 . 1 1 95 95 PHE H H 86 7.911 7.911 8.592 -0.681 18223
1759 1 4 . 1 1 96 96 MET N N 87 120.600 120.600 119.864 0.736 18223
1760 1 4 . 1 1 96 96 MET CA C 87 53.150 53.150 56.114 -2.965 18223
1761 1 4 . 1 1 96 96 MET H H 87 7.670 7.670 8.286 -0.616 18223
1762 1 4 . 1 1 97 97 PRO C C 88 176.820 176.820 176.736 0.084 18223
1763 1 4 . 1 1 98 98 ALA N N 89 124.300 124.300 119.236 5.064 18223
1764 1 4 . 1 1 98 98 ALA C C 89 179.480 179.480 176.227 3.253 18223
1765 1 4 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.674 0.716 18223
1766 1 4 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.491 -0.689 18223
1767 1 4 . 1 1 98 98 ALA H H 89 8.302 8.302 7.590 0.712 18223
1768 1 4 . 1 1 99 99 GLY N N 90 107.011 107.011 108.070 -1.059 18223
1769 1 4 . 1 1 99 99 GLY C C 90 174.920 174.920 175.574 -0.654 18223
1770 1 4 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.791 1.089 18223
1771 1 4 . 1 1 99 99 GLY H H 90 8.341 8.341 8.006 0.335 18223
1772 1 4 . 1 1 100 100 LEU N N 91 120.873 120.873 125.568 -4.695 18223
1773 1 4 . 1 1 100 100 LEU C C 91 177.250 177.250 178.048 -0.798 18223
1774 1 4 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.713 -1.613 18223
1775 1 4 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.850 0.244 18223
1776 1 4 . 1 1 100 100 LEU H H 91 7.732 7.732 8.567 -0.835 18223
1777 1 4 . 1 1 101 101 ILE N N 92 118.245 118.245 115.960 2.285 18223
1778 1 4 . 1 1 101 101 ILE C C 92 177.130 177.130 177.227 -0.097 18223
1779 1 4 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.694 -3.780 18223
1780 1 4 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.041 1.087 18223
1781 1 4 . 1 1 101 101 ILE H H 92 7.668 7.668 8.329 -0.661 18223
1782 1 4 . 1 1 102 102 ALA N N 93 127.523 127.523 123.177 4.346 18223
1783 1 4 . 1 1 102 102 ALA C C 93 179.370 179.370 179.627 -0.257 18223
1784 1 4 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.005 -2.167 18223
1785 1 4 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.115 0.904 18223
1786 1 4 . 1 1 102 102 ALA H H 93 8.110 8.110 8.114 -0.004 18223
1787 1 4 . 1 1 103 103 GLY N N 94 109.013 109.013 107.359 1.654 18223
1788 1 4 . 1 1 103 103 GLY C C 94 175.290 175.290 175.921 -0.631 18223
1789 1 4 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.036 -1.616 18223
1790 1 4 . 1 1 103 103 GLY H H 94 8.180 8.180 8.008 0.172 18223
1791 1 4 . 1 1 104 104 ALA N N 95 123.130 123.130 124.174 -1.044 18223
1792 1 4 . 1 1 104 104 ALA C C 95 180.040 180.040 179.687 0.353 18223
1793 1 4 . 1 1 104 104 ALA H H 95 8.230 8.230 8.275 -0.045 18223
1794 1 4 . 1 1 105 105 SER N N 96 114.606 114.606 114.207 0.399 18223
1795 1 4 . 1 1 105 105 SER C C 96 176.140 176.140 176.827 -0.687 18223
1796 1 4 . 1 1 105 105 SER H H 96 7.915 7.915 8.206 -0.291 18223
1797 1 4 . 1 1 106 106 LEU N N 97 122.651 122.651 122.312 0.339 18223
1798 1 4 . 1 1 106 106 LEU C C 97 179.140 179.140 178.599 0.541 18223
1799 1 4 . 1 1 106 106 LEU H H 97 8.066 8.066 7.222 0.844 18223
1800 1 4 . 1 1 108 108 MET N N 99 118.381 118.381 118.873 -0.492 18223
1801 1 4 . 1 1 108 108 MET C C 99 178.830 178.830 178.475 0.355 18223
1802 1 4 . 1 1 108 108 MET CA C 99 58.730 58.730 59.739 -1.009 18223
1803 1 4 . 1 1 108 108 MET H H 99 7.682 7.682 8.184 -0.502 18223
1804 1 4 . 1 1 109 109 VAL N N 100 118.713 118.713 118.889 -0.176 18223
1805 1 4 . 1 1 109 109 VAL C C 100 177.930 177.930 177.560 0.370 18223
1806 1 4 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.919 -0.689 18223
1807 1 4 . 1 1 109 109 VAL H H 100 7.821 7.821 8.173 -0.352 18223
1808 1 4 . 1 1 110 110 ALA N N 101 122.160 122.160 121.892 0.268 18223
1809 1 4 . 1 1 110 110 ALA C C 101 180.470 180.470 179.426 1.044 18223
1810 1 4 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.415 -0.075 18223
1811 1 4 . 1 1 110 110 ALA H H 101 8.110 8.110 8.093 0.017 18223
1812 1 4 . 1 1 111 111 LYS N N 102 120.260 120.260 119.084 1.176 18223
1813 1 4 . 1 1 111 111 LYS C C 102 177.490 177.490 178.674 -1.184 18223
1814 1 4 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.197 -1.707 18223
1815 1 4 . 1 1 111 111 LYS H H 102 7.870 7.870 7.887 -0.017 18223
1816 1 4 . 1 1 112 112 VAL N N 103 120.410 120.410 118.318 2.092 18223
1817 1 4 . 1 1 112 112 VAL C C 103 176.240 176.240 177.737 -1.497 18223
1818 1 4 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.223 0.497 18223
1819 1 4 . 1 1 112 112 VAL H H 103 7.990 7.990 8.013 -0.023 18223
1820 1 4 . 1 1 113 113 GLY N N 104 108.926 108.926 106.346 2.580 18223
1821 1 4 . 1 1 113 113 GLY C C 104 175.150 175.150 174.885 0.265 18223
1822 1 4 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.442 2.208 18223
1823 1 4 . 1 1 113 113 GLY H H 104 8.477 8.477 7.762 0.715 18223
1824 1 4 . 1 1 114 114 VAL N N 105 119.350 119.350 120.328 -0.978 18223
1825 1 4 . 1 1 114 114 VAL C C 105 178.390 178.390 175.885 2.505 18223
1826 1 4 . 1 1 114 114 VAL CA C 105 66.140 66.140 63.312 2.828 18223
1827 1 4 . 1 1 114 114 VAL H H 105 8.310 8.310 7.932 0.378 18223
1828 1 4 . 1 1 115 115 SER N N 106 115.964 115.964 117.721 -1.757 18223
1829 1 4 . 1 1 115 115 SER C C 106 177.250 177.250 173.798 3.452 18223
1830 1 4 . 1 1 115 115 SER CA C 106 61.130 61.130 60.163 0.967 18223
1831 1 4 . 1 1 115 115 SER H H 106 7.815 7.815 8.382 -0.567 18223
1832 1 4 . 1 1 116 116 MET N N 107 120.190 120.190 124.353 -4.163 18223
1833 1 4 . 1 1 116 116 MET C C 107 177.190 177.190 174.319 2.871 18223
1834 1 4 . 1 1 116 116 MET CA C 107 57.450 57.450 55.580 1.871 18223
1835 1 4 . 1 1 116 116 MET H H 107 7.820 7.820 7.882 -0.062 18223
1836 1 4 . 1 1 117 117 PHE N N 108 117.325 117.325 119.299 -1.974 18223
1837 1 4 . 1 1 117 117 PHE C C 108 175.740 175.740 174.642 1.098 18223
1838 1 4 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.068 0.802 18223
1839 1 4 . 1 1 117 117 PHE H H 108 7.735 7.735 8.139 -0.404 18223
1840 1 4 . 1 1 118 118 ASN N N 109 118.878 118.878 124.175 -5.297 18223
1841 1 4 . 1 1 118 118 ASN C C 109 174.830 174.830 175.390 -0.560 18223
1842 1 4 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.410 0.650 18223
1843 1 4 . 1 1 118 118 ASN CB C 109 39.065 39.065 37.724 1.341 18223
1844 1 4 . 1 1 118 118 ASN H H 109 7.907 7.907 8.837 -0.930 18223
1845 1 4 . 1 1 119 119 ARG N N 110 122.870 122.870 120.952 1.918 18223
1846 1 4 . 1 1 119 119 ARG CA C 110 54.150 54.150 59.750 -5.600 18223
1847 1 4 . 1 1 119 119 ARG H H 110 7.894 7.894 8.031 -0.137 18223
1848 1 4 . 1 1 120 120 PRO C C 111 176.590 176.590 175.986 0.604 18223
1849 1 5 . 1 1 11 11 GLN C C 2 176.170 176.170 175.142 1.028 18223
1850 1 5 . 1 1 12 12 ASP N N 3 120.369 120.369 122.121 -1.752 18223
1851 1 5 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.579 -0.429 18223
1852 1 5 . 1 1 12 12 ASP C C 3 176.980 176.980 176.437 0.543 18223
1853 1 5 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.744 0.093 18223
1854 1 5 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.720 -0.924 18223
1855 1 5 . 1 1 12 12 ASP H H 3 8.275 8.275 8.256 0.019 18223
1856 1 5 . 1 1 13 13 THR N N 4 114.220 114.220 112.737 1.483 18223
1857 1 5 . 1 1 13 13 THR HA H 4 4.636 4.636 4.185 0.451 18223
1858 1 5 . 1 1 13 13 THR C C 4 175.530 175.530 175.828 -0.298 18223
1859 1 5 . 1 1 13 13 THR CA C 4 62.790 62.790 63.184 -0.395 18223
1860 1 5 . 1 1 13 13 THR CB C 4 69.134 69.134 69.540 -0.406 18223
1861 1 5 . 1 1 13 13 THR H H 4 7.990 7.990 8.142 -0.152 18223
1862 1 5 . 1 1 14 14 SER N N 5 117.664 117.664 119.702 -2.038 18223
1863 1 5 . 1 1 14 14 SER HA H 5 4.296 4.296 4.176 0.120 18223
1864 1 5 . 1 1 14 14 SER C C 5 175.200 175.200 176.051 -0.851 18223
1865 1 5 . 1 1 14 14 SER CA C 5 59.443 59.443 60.442 -0.999 18223
1866 1 5 . 1 1 14 14 SER CB C 5 63.438 63.438 63.480 -0.042 18223
1867 1 5 . 1 1 14 14 SER H H 5 8.255 8.255 8.596 -0.341 18223
1868 1 5 . 1 1 15 15 SER N N 6 117.093 117.093 114.053 3.040 18223
1869 1 5 . 1 1 15 15 SER HA H 6 4.317 4.317 4.161 0.156 18223
1870 1 5 . 1 1 15 15 SER C C 6 174.770 174.770 174.124 0.646 18223
1871 1 5 . 1 1 15 15 SER CA C 6 58.737 58.737 60.205 -1.468 18223
1872 1 5 . 1 1 15 15 SER CB C 6 63.656 63.656 62.291 1.365 18223
1873 1 5 . 1 1 15 15 SER H H 6 8.050 8.050 8.115 -0.065 18223
1874 1 5 . 1 1 16 16 VAL N N 7 119.995 119.995 118.022 1.973 18223
1875 1 5 . 1 1 16 16 VAL C C 7 176.150 176.150 175.143 1.007 18223
1876 1 5 . 1 1 16 16 VAL CA C 7 62.743 62.743 60.880 1.863 18223
1877 1 5 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.842 -0.627 18223
1878 1 5 . 1 1 16 16 VAL H H 7 7.775 7.775 8.298 -0.523 18223
1879 1 5 . 1 1 17 17 VAL N N 8 121.090 121.090 113.387 7.703 18223
1880 1 5 . 1 1 17 17 VAL CA C 8 60.910 60.910 61.876 -0.966 18223
1881 1 5 . 1 1 17 17 VAL H H 8 7.730 7.730 8.240 -0.510 18223
1882 1 5 . 1 1 18 18 PRO C C 9 178.410 178.410 177.914 0.496 18223
1883 1 5 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.982 1.528 18223
1884 1 5 . 1 1 19 19 LEU N N 10 121.410 121.410 118.409 3.001 18223
1885 1 5 . 1 1 19 19 LEU C C 10 178.910 178.910 178.610 0.300 18223
1886 1 5 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.307 -2.457 18223
1887 1 5 . 1 1 19 19 LEU CB C 10 41.445 41.445 40.529 0.916 18223
1888 1 5 . 1 1 19 19 LEU H H 10 7.930 7.930 8.440 -0.510 18223
1889 1 5 . 1 1 20 20 HIS N N 11 116.900 116.900 118.213 -1.313 18223
1890 1 5 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.361 0.270 18223
1891 1 5 . 1 1 20 20 HIS C C 11 174.990 174.990 177.614 -2.624 18223
1892 1 5 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.539 -3.539 18223
1893 1 5 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.520 -1.560 18223
1894 1 5 . 1 1 20 20 HIS H H 11 8.384 8.384 8.325 0.059 18223
1895 1 5 . 1 1 21 21 TRP C C 12 177.660 177.660 178.822 -1.162 18223
1896 1 5 . 1 1 22 22 PHE N N 13 119.238 119.238 118.791 0.447 18223
1897 1 5 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.162 0.126 18223
1898 1 5 . 1 1 22 22 PHE C C 13 177.410 177.410 178.138 -0.728 18223
1899 1 5 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.975 -2.277 18223
1900 1 5 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.967 -0.623 18223
1901 1 5 . 1 1 22 22 PHE H H 13 7.883 7.883 9.064 -1.181 18223
1902 1 5 . 1 1 23 23 GLY N N 14 107.209 107.209 106.030 1.179 18223
1903 1 5 . 1 1 23 23 GLY C C 14 176.220 176.220 176.082 0.138 18223
1904 1 5 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.199 -0.119 18223
1905 1 5 . 1 1 23 23 GLY H H 14 7.911 7.911 8.724 -0.813 18223
1906 1 5 . 1 1 24 24 PHE N N 15 121.880 121.880 123.455 -1.575 18223
1907 1 5 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.380 0.033 18223
1908 1 5 . 1 1 24 24 PHE C C 15 177.840 177.840 177.800 0.040 18223
1909 1 5 . 1 1 24 24 PHE CA C 15 60.090 60.090 59.847 0.243 18223
1910 1 5 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.092 -0.243 18223
1911 1 5 . 1 1 24 24 PHE H H 15 7.900 7.900 8.425 -0.525 18223
1912 1 5 . 1 1 25 25 GLY N N 16 107.640 107.640 107.745 -0.105 18223
1913 1 5 . 1 1 25 25 GLY C C 16 174.910 174.910 176.117 -1.207 18223
1914 1 5 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.324 0.006 18223
1915 1 5 . 1 1 25 25 GLY H H 16 8.320 8.320 8.913 -0.593 18223
1916 1 5 . 1 1 26 26 TYR N N 17 121.804 121.804 123.024 -1.220 18223
1917 1 5 . 1 1 26 26 TYR C C 17 177.120 177.120 177.778 -0.658 18223
1918 1 5 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.775 -0.105 18223
1919 1 5 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.358 0.043 18223
1920 1 5 . 1 1 26 26 TYR H H 17 8.365 8.365 8.298 0.067 18223
1921 1 5 . 1 1 27 27 ALA N N 18 120.785 120.785 121.149 -0.364 18223
1922 1 5 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.946 -0.063 18223
1923 1 5 . 1 1 27 27 ALA C C 18 178.790 178.790 179.309 -0.519 18223
1924 1 5 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.264 -0.223 18223
1925 1 5 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.838 -0.117 18223
1926 1 5 . 1 1 27 27 ALA H H 18 7.949 7.949 8.316 -0.367 18223
1927 1 5 . 1 1 28 28 ALA N N 19 120.210 120.210 120.992 -0.782 18223
1928 1 5 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.897 -0.047 18223
1929 1 5 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.277 -0.556 18223
1930 1 5 . 1 1 28 28 ALA H H 19 7.870 7.870 7.921 -0.051 18223
1931 1 5 . 1 1 29 29 LEU N N 20 120.090 120.090 120.043 0.047 18223
1932 1 5 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.905 -5.905 18223
1933 1 5 . 1 1 29 29 LEU H H 20 8.000 8.000 7.954 0.046 18223
1934 1 5 . 1 1 30 30 VAL N N 21 118.299 118.299 119.464 -1.165 18223
1935 1 5 . 1 1 30 30 VAL C C 21 178.920 178.920 178.243 0.677 18223
1936 1 5 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.455 -0.835 18223
1937 1 5 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.868 0.409 18223
1938 1 5 . 1 1 30 30 VAL H H 21 7.947 7.947 8.373 -0.426 18223
1939 1 5 . 1 1 31 31 ALA N N 22 122.600 122.600 121.083 1.517 18223
1940 1 5 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.931 0.242 18223
1941 1 5 . 1 1 31 31 ALA C C 22 179.540 179.540 179.544 -0.004 18223
1942 1 5 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.337 -1.129 18223
1943 1 5 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.119 0.323 18223
1944 1 5 . 1 1 31 31 ALA H H 22 7.819 7.819 8.282 -0.463 18223
1945 1 5 . 1 1 32 32 SER N N 23 113.502 113.502 114.805 -1.303 18223
1946 1 5 . 1 1 32 32 SER HA H 23 4.015 4.015 4.022 -0.007 18223
1947 1 5 . 1 1 32 32 SER C C 23 175.890 175.890 177.043 -1.153 18223
1948 1 5 . 1 1 32 32 SER CA C 23 60.490 60.490 62.954 -2.464 18223
1949 1 5 . 1 1 32 32 SER CB C 23 63.510 63.510 62.902 0.608 18223
1950 1 5 . 1 1 32 32 SER H H 23 7.826 7.826 8.429 -0.603 18223
1951 1 5 . 1 1 33 33 GLY N N 24 109.939 109.939 108.646 1.293 18223
1952 1 5 . 1 1 33 33 GLY C C 24 176.180 176.180 175.618 0.562 18223
1953 1 5 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.999 -0.349 18223
1954 1 5 . 1 1 33 33 GLY H H 24 7.985 7.985 8.405 -0.420 18223
1955 1 5 . 1 1 34 34 GLY N N 25 109.396 109.396 110.093 -0.697 18223
1956 1 5 . 1 1 34 34 GLY C C 25 175.330 175.330 175.986 -0.656 18223
1957 1 5 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.631 -0.461 18223
1958 1 5 . 1 1 34 34 GLY H H 25 8.235 8.235 7.935 0.300 18223
1959 1 5 . 1 1 35 35 ILE N N 26 120.211 120.211 123.082 -2.871 18223
1960 1 5 . 1 1 35 35 ILE C C 26 177.400 177.400 178.232 -0.832 18223
1961 1 5 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.581 -1.751 18223
1962 1 5 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.014 -0.175 18223
1963 1 5 . 1 1 35 35 ILE H H 26 7.998 7.998 8.083 -0.085 18223
1964 1 5 . 1 1 36 36 ILE N N 27 120.051 120.051 118.938 1.113 18223
1965 1 5 . 1 1 36 36 ILE C C 27 177.900 177.900 178.015 -0.115 18223
1966 1 5 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.206 -0.356 18223
1967 1 5 . 1 1 36 36 ILE CB C 27 36.830 36.830 35.913 0.917 18223
1968 1 5 . 1 1 36 36 ILE H H 27 7.998 7.998 8.650 -0.652 18223
1969 1 5 . 1 1 37 37 GLY N N 28 107.531 107.531 107.790 -0.259 18223
1970 1 5 . 1 1 37 37 GLY C C 28 176.120 176.120 176.715 -0.595 18223
1971 1 5 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.612 0.188 18223
1972 1 5 . 1 1 37 37 GLY H H 28 7.983 7.983 7.579 0.404 18223
1973 1 5 . 1 1 38 38 TYR N N 29 120.900 120.900 122.601 -1.701 18223
1974 1 5 . 1 1 38 38 TYR C C 29 176.530 176.530 177.583 -1.053 18223
1975 1 5 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.246 -0.516 18223
1976 1 5 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.423 0.065 18223
1977 1 5 . 1 1 38 38 TYR H H 29 7.726 7.726 8.087 -0.361 18223
1978 1 5 . 1 1 39 39 VAL N N 30 117.958 117.958 114.557 3.401 18223
1979 1 5 . 1 1 39 39 VAL C C 30 177.600 177.600 176.764 0.836 18223
1980 1 5 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.401 -0.026 18223
1981 1 5 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.282 -0.861 18223
1982 1 5 . 1 1 39 39 VAL H H 30 7.849 7.849 8.394 -0.545 18223
1983 1 5 . 1 1 40 40 LYS N N 31 120.116 120.116 117.447 2.669 18223
1984 1 5 . 1 1 40 40 LYS C C 31 177.090 177.090 174.912 2.178 18223
1985 1 5 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.227 -0.457 18223
1986 1 5 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.580 0.635 18223
1987 1 5 . 1 1 40 40 LYS H H 31 8.072 8.072 7.654 0.418 18223
1988 1 5 . 1 1 41 41 ALA N N 32 122.082 122.082 121.005 1.077 18223
1989 1 5 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.375 -0.134 18223
1990 1 5 . 1 1 41 41 ALA C C 32 178.780 178.780 177.076 1.704 18223
1991 1 5 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.251 1.009 18223
1992 1 5 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.015 -0.285 18223
1993 1 5 . 1 1 41 41 ALA H H 32 7.786 7.786 7.673 0.113 18223
1994 1 5 . 1 1 42 42 GLY N N 33 106.746 106.746 107.906 -1.160 18223
1995 1 5 . 1 1 42 42 GLY C C 33 174.790 174.790 174.446 0.344 18223
1996 1 5 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.240 0.580 18223
1997 1 5 . 1 1 42 42 GLY H H 33 7.964 7.964 8.426 -0.462 18223
1998 1 5 . 1 1 43 43 SER N N 34 115.541 115.541 114.476 1.065 18223
1999 1 5 . 1 1 43 43 SER HA H 34 4.491 4.491 4.954 -0.463 18223
2000 1 5 . 1 1 43 43 SER C C 34 174.920 174.920 174.148 0.772 18223
2001 1 5 . 1 1 43 43 SER CA C 34 58.730 58.730 57.735 0.995 18223
2002 1 5 . 1 1 43 43 SER CB C 34 63.798 63.798 64.916 -1.118 18223
2003 1 5 . 1 1 43 43 SER H H 34 8.049 8.049 7.978 0.071 18223
2004 1 5 . 1 1 44 44 VAL N N 35 121.887 121.887 118.681 3.206 18223
2005 1 5 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.749 1.581 18223
2006 1 5 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.741 -1.411 18223
2007 1 5 . 1 1 44 44 VAL H H 35 8.332 8.332 8.368 -0.036 18223
2008 1 5 . 1 1 46 46 SER N N 37 113.762 113.762 115.493 -1.731 18223
2009 1 5 . 1 1 46 46 SER CA C 37 61.130 61.130 61.396 -0.266 18223
2010 1 5 . 1 1 46 46 SER CB C 37 62.789 62.789 62.565 0.224 18223
2011 1 5 . 1 1 46 46 SER H H 37 7.924 7.924 7.774 0.150 18223
2012 1 5 . 1 1 47 47 LEU N N 38 124.450 124.450 121.441 3.009 18223
2013 1 5 . 1 1 47 47 LEU C C 38 176.440 176.440 178.263 -1.823 18223
2014 1 5 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.654 -0.294 18223
2015 1 5 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.752 0.053 18223
2016 1 5 . 1 1 47 47 LEU H H 38 8.108 8.108 8.054 0.054 18223
2017 1 5 . 1 1 48 48 ALA N N 39 121.290 121.290 120.376 0.914 18223
2018 1 5 . 1 1 48 48 ALA CA C 39 54.610 54.610 54.967 -0.357 18223
2019 1 5 . 1 1 48 48 ALA H H 39 8.250 8.250 7.804 0.446 18223
2020 1 5 . 1 1 49 49 ALA N N 40 120.070 120.070 119.573 0.497 18223
2021 1 5 . 1 1 49 49 ALA C C 40 179.910 179.910 179.747 0.163 18223
2022 1 5 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.739 0.371 18223
2023 1 5 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.361 -0.280 18223
2024 1 5 . 1 1 49 49 ALA H H 40 8.145 8.145 8.164 -0.019 18223
2025 1 5 . 1 1 50 50 GLY N N 41 104.977 104.977 107.843 -2.866 18223
2026 1 5 . 1 1 50 50 GLY C C 41 174.870 174.870 175.923 -1.053 18223
2027 1 5 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.802 0.123 18223
2028 1 5 . 1 1 50 50 GLY H H 41 8.103 8.103 7.894 0.209 18223
2029 1 5 . 1 1 51 51 LEU N N 42 122.431 122.431 122.734 -0.303 18223
2030 1 5 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.453 -0.123 18223
2031 1 5 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.470 0.335 18223
2032 1 5 . 1 1 51 51 LEU H H 42 7.796 7.796 7.931 -0.135 18223
2033 1 5 . 1 1 52 52 LEU N N 43 119.483 119.483 119.846 -0.363 18223
2034 1 5 . 1 1 52 52 LEU C C 43 179.910 179.910 179.383 0.527 18223
2035 1 5 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.490 -0.720 18223
2036 1 5 . 1 1 52 52 LEU CB C 43 41.372 41.372 40.939 0.433 18223
2037 1 5 . 1 1 52 52 LEU H H 43 7.862 7.862 8.013 -0.151 18223
2038 1 5 . 1 1 53 53 PHE N N 44 117.117 117.117 118.478 -1.361 18223
2039 1 5 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.266 0.105 18223
2040 1 5 . 1 1 53 53 PHE C C 44 178.530 178.530 177.706 0.824 18223
2041 1 5 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.030 -0.880 18223
2042 1 5 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.742 -0.614 18223
2043 1 5 . 1 1 53 53 PHE H H 44 8.343 8.343 8.344 -0.001 18223
2044 1 5 . 1 1 54 54 GLY N N 45 107.605 107.605 108.095 -0.490 18223
2045 1 5 . 1 1 54 54 GLY C C 45 176.400 176.400 175.685 0.715 18223
2046 1 5 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.306 -0.556 18223
2047 1 5 . 1 1 54 54 GLY H H 45 8.150 8.150 7.923 0.227 18223
2048 1 5 . 1 1 55 55 SER N N 46 117.713 117.713 118.717 -1.004 18223
2049 1 5 . 1 1 55 55 SER C C 46 176.130 176.130 176.794 -0.664 18223
2050 1 5 . 1 1 55 55 SER CA C 46 61.240 61.240 61.762 -0.522 18223
2051 1 5 . 1 1 55 55 SER CB C 46 63.294 63.294 63.094 0.199 18223
2052 1 5 . 1 1 55 55 SER H H 46 7.942 7.942 7.864 0.078 18223
2053 1 5 . 1 1 56 56 LEU N N 47 121.618 121.618 121.109 0.509 18223
2054 1 5 . 1 1 56 56 LEU C C 47 178.510 178.510 177.286 1.224 18223
2055 1 5 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.709 -0.949 18223
2056 1 5 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.745 -0.589 18223
2057 1 5 . 1 1 56 56 LEU H H 47 7.910 7.910 7.990 -0.080 18223
2058 1 5 . 1 1 57 57 ALA N N 48 121.557 121.557 121.674 -0.117 18223
2059 1 5 . 1 1 57 57 ALA C C 48 180.040 180.040 179.801 0.239 18223
2060 1 5 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.337 0.213 18223
2061 1 5 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.122 -0.041 18223
2062 1 5 . 1 1 57 57 ALA H H 48 7.878 7.878 7.678 0.200 18223
2063 1 5 . 1 1 58 58 GLY N N 49 106.435 106.435 107.531 -1.096 18223
2064 1 5 . 1 1 58 58 GLY C C 49 175.740 175.740 176.321 -0.581 18223
2065 1 5 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.039 -0.759 18223
2066 1 5 . 1 1 58 58 GLY H H 49 8.085 8.085 8.034 0.051 18223
2067 1 5 . 1 1 59 59 LEU N N 50 121.230 121.230 121.705 -0.475 18223
2068 1 5 . 1 1 59 59 LEU C C 50 178.390 178.390 179.212 -0.822 18223
2069 1 5 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.785 -1.355 18223
2070 1 5 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.602 0.059 18223
2071 1 5 . 1 1 59 59 LEU H H 50 7.770 7.770 8.199 -0.429 18223
2072 1 5 . 1 1 60 60 GLY N N 51 106.525 106.525 106.603 -0.078 18223
2073 1 5 . 1 1 60 60 GLY C C 51 174.820 174.820 175.845 -1.025 18223
2074 1 5 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.899 -0.609 18223
2075 1 5 . 1 1 60 60 GLY H H 51 8.090 8.090 7.466 0.624 18223
2076 1 5 . 1 1 61 61 ALA N N 52 122.773 122.773 124.305 -1.532 18223
2077 1 5 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.174 -0.072 18223
2078 1 5 . 1 1 61 61 ALA C C 52 178.320 178.320 177.195 1.125 18223
2079 1 5 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.961 -0.541 18223
2080 1 5 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.273 -0.831 18223
2081 1 5 . 1 1 61 61 ALA H H 52 7.819 7.819 8.249 -0.430 18223
2082 1 5 . 1 1 62 62 TYR N N 53 118.481 118.481 114.712 3.769 18223
2083 1 5 . 1 1 62 62 TYR C C 53 176.390 176.390 174.005 2.385 18223
2084 1 5 . 1 1 62 62 TYR CA C 53 59.000 59.000 57.401 1.599 18223
2085 1 5 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.514 1.830 18223
2086 1 5 . 1 1 62 62 TYR H H 53 7.794 7.794 7.261 0.533 18223
2087 1 5 . 1 1 63 63 GLN N N 54 120.770 120.770 118.841 1.929 18223
2088 1 5 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.732 -0.172 18223
2089 1 5 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.650 -3.002 18223
2090 1 5 . 1 1 63 63 GLN H H 54 8.033 8.033 7.717 0.316 18223
2091 1 5 . 1 1 64 64 LEU N N 55 121.847 121.847 121.011 0.836 18223
2092 1 5 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.365 -0.195 18223
2093 1 5 . 1 1 64 64 LEU C C 55 177.790 177.790 174.928 2.862 18223
2094 1 5 . 1 1 64 64 LEU CA C 55 56.010 56.010 56.377 -0.367 18223
2095 1 5 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.340 -1.535 18223
2096 1 5 . 1 1 64 64 LEU H H 55 8.018 8.018 7.434 0.584 18223
2097 1 5 . 1 1 65 65 SER N N 56 113.937 113.937 118.146 -4.209 18223
2098 1 5 . 1 1 65 65 SER C C 56 174.710 174.710 172.881 1.829 18223
2099 1 5 . 1 1 65 65 SER CA C 56 59.050 59.050 58.907 0.143 18223
2100 1 5 . 1 1 65 65 SER CB C 56 63.554 63.554 63.502 0.052 18223
2101 1 5 . 1 1 65 65 SER H H 56 7.892 7.892 8.352 -0.460 18223
2102 1 5 . 1 1 66 66 GLN N N 57 120.154 120.154 119.073 1.081 18223
2103 1 5 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.289 -0.046 18223
2104 1 5 . 1 1 66 66 GLN C C 57 175.760 175.760 173.634 2.126 18223
2105 1 5 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.620 -0.970 18223
2106 1 5 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.000 -0.452 18223
2107 1 5 . 1 1 66 66 GLN H H 57 7.625 7.625 8.063 -0.438 18223
2108 1 5 . 1 1 67 67 ASP N N 58 120.090 120.090 121.811 -1.721 18223
2109 1 5 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.650 -2.650 18223
2110 1 5 . 1 1 67 67 ASP H H 58 8.000 8.000 8.356 -0.356 18223
2111 1 5 . 1 1 68 68 PRO C C 59 177.890 177.890 178.697 -0.807 18223
2112 1 5 . 1 1 69 69 ARG N N 60 117.806 117.806 119.436 -1.630 18223
2113 1 5 . 1 1 69 69 ARG C C 60 178.330 178.330 178.798 -0.468 18223
2114 1 5 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.572 -1.677 18223
2115 1 5 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.918 -0.716 18223
2116 1 5 . 1 1 69 69 ARG H H 60 8.402 8.402 8.626 -0.224 18223
2117 1 5 . 1 1 70 70 ASN N N 61 116.920 116.920 116.553 0.367 18223
2118 1 5 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.261 -0.961 18223
2119 1 5 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.937 0.130 18223
2120 1 5 . 1 1 70 70 ASN H H 61 7.930 7.930 8.303 -0.373 18223
2121 1 5 . 1 1 71 71 VAL N N 62 120.795 120.795 121.280 -0.485 18223
2122 1 5 . 1 1 71 71 VAL CA C 62 65.927 65.927 67.185 -1.258 18223
2123 1 5 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.394 -0.400 18223
2124 1 5 . 1 1 71 71 VAL H H 62 7.783 7.783 7.592 0.191 18223
2125 1 5 . 1 1 72 72 TRP N N 63 120.550 120.550 120.406 0.144 18223
2126 1 5 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.181 0.236 18223
2127 1 5 . 1 1 72 72 TRP C C 63 177.850 177.850 178.865 -1.015 18223
2128 1 5 . 1 1 72 72 TRP CA C 63 60.130 60.130 60.969 -0.839 18223
2129 1 5 . 1 1 72 72 TRP CB C 63 29.313 29.313 28.779 0.534 18223
2130 1 5 . 1 1 72 72 TRP H H 63 7.760 7.760 8.064 -0.304 18223
2131 1 5 . 1 1 73 73 VAL N N 64 117.896 117.896 117.242 0.654 18223
2132 1 5 . 1 1 73 73 VAL C C 64 179.270 179.270 178.063 1.207 18223
2133 1 5 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.291 0.239 18223
2134 1 5 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.240 0.068 18223
2135 1 5 . 1 1 73 73 VAL H H 64 7.905 7.905 8.013 -0.108 18223
2136 1 5 . 1 1 74 74 PHE N N 65 122.086 122.086 120.092 1.994 18223
2137 1 5 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.234 -0.009 18223
2138 1 5 . 1 1 74 74 PHE C C 65 177.760 177.760 176.563 1.197 18223
2139 1 5 . 1 1 74 74 PHE CA C 65 61.290 61.290 59.994 1.296 18223
2140 1 5 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.179 0.381 18223
2141 1 5 . 1 1 74 74 PHE H H 65 7.857 7.857 7.730 0.127 18223
2142 1 5 . 1 1 75 75 LEU N N 66 121.304 121.304 121.007 0.297 18223
2143 1 5 . 1 1 75 75 LEU C C 66 179.060 179.060 178.535 0.525 18223
2144 1 5 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.528 0.272 18223
2145 1 5 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.310 -0.010 18223
2146 1 5 . 1 1 75 75 LEU H H 66 8.326 8.326 7.816 0.510 18223
2147 1 5 . 1 1 76 76 ALA N N 67 120.420 120.420 119.157 1.263 18223
2148 1 5 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.926 0.470 18223
2149 1 5 . 1 1 76 76 ALA C C 67 180.180 180.180 179.727 0.453 18223
2150 1 5 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.098 -0.508 18223
2151 1 5 . 1 1 76 76 ALA H H 67 8.283 8.283 8.002 0.281 18223
2152 1 5 . 1 1 77 77 THR N N 68 111.152 111.152 115.847 -4.695 18223
2153 1 5 . 1 1 77 77 THR C C 68 175.830 175.830 176.974 -1.144 18223
2154 1 5 . 1 1 77 77 THR CA C 68 64.159 64.159 66.808 -2.649 18223
2155 1 5 . 1 1 77 77 THR CB C 68 69.711 69.711 68.485 1.226 18223
2156 1 5 . 1 1 77 77 THR H H 68 7.951 7.951 8.093 -0.142 18223
2157 1 5 . 1 1 78 78 SER N N 69 117.883 117.883 117.250 0.633 18223
2158 1 5 . 1 1 78 78 SER C C 69 176.000 176.000 176.847 -0.847 18223
2159 1 5 . 1 1 78 78 SER CA C 69 60.730 60.730 61.884 -1.154 18223
2160 1 5 . 1 1 78 78 SER H H 69 7.839 7.839 8.368 -0.529 18223
2161 1 5 . 1 1 79 79 GLY N N 70 111.078 111.078 109.619 1.459 18223
2162 1 5 . 1 1 79 79 GLY C C 70 175.830 175.830 176.300 -0.470 18223
2163 1 5 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.637 -0.927 18223
2164 1 5 . 1 1 79 79 GLY H H 70 8.269 8.269 8.109 0.160 18223
2165 1 5 . 1 1 80 80 THR N N 71 117.727 117.727 119.339 -1.612 18223
2166 1 5 . 1 1 80 80 THR C C 71 176.110 176.110 176.515 -0.405 18223
2167 1 5 . 1 1 80 80 THR CA C 71 66.178 66.178 66.409 -0.231 18223
2168 1 5 . 1 1 80 80 THR CB C 71 68.630 68.630 68.644 -0.014 18223
2169 1 5 . 1 1 80 80 THR H H 71 7.823 7.823 7.917 -0.094 18223
2170 1 5 . 1 1 81 81 LEU N N 72 121.422 121.422 121.637 -0.215 18223
2171 1 5 . 1 1 81 81 LEU C C 72 178.620 178.620 178.547 0.073 18223
2172 1 5 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.788 -1.098 18223
2173 1 5 . 1 1 81 81 LEU H H 72 7.846 7.846 8.112 -0.266 18223
2174 1 5 . 1 1 82 82 ALA N N 73 121.160 121.160 119.694 1.466 18223
2175 1 5 . 1 1 82 82 ALA C C 73 180.440 180.440 179.865 0.575 18223
2176 1 5 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.485 0.695 18223
2177 1 5 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.465 -0.600 18223
2178 1 5 . 1 1 82 82 ALA H H 73 8.050 8.050 8.468 -0.418 18223
2179 1 5 . 1 1 83 83 GLY N N 74 106.017 106.017 107.592 -1.575 18223
2180 1 5 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.421 0.589 18223
2181 1 5 . 1 1 83 83 GLY H H 74 8.132 8.132 7.886 0.246 18223
2182 1 5 . 1 1 84 84 ILE N N 75 122.030 122.030 120.623 1.407 18223
2183 1 5 . 1 1 84 84 ILE C C 75 178.530 178.530 176.563 1.967 18223
2184 1 5 . 1 1 84 84 ILE CA C 75 64.730 64.730 64.007 0.723 18223
2185 1 5 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.414 -0.647 18223
2186 1 5 . 1 1 84 84 ILE H H 75 7.930 7.930 7.973 -0.043 18223
2187 1 5 . 1 1 85 85 MET N N 76 117.920 117.920 114.105 3.815 18223
2188 1 5 . 1 1 85 85 MET CA C 76 57.810 57.810 54.837 2.973 18223
2189 1 5 . 1 1 85 85 MET H H 76 8.140 8.140 7.506 0.634 18223
2190 1 5 . 1 1 86 86 GLY N N 77 109.118 109.118 106.566 2.552 18223
2191 1 5 . 1 1 86 86 GLY CA C 77 45.771 45.771 45.198 0.573 18223
2192 1 5 . 1 1 86 86 GLY H H 77 7.920 7.920 8.098 -0.178 18223
2193 1 5 . 1 1 87 87 MET N N 78 119.220 119.220 116.979 2.241 18223
2194 1 5 . 1 1 87 87 MET CA C 78 55.810 55.810 56.865 -1.055 18223
2195 1 5 . 1 1 87 87 MET H H 78 7.950 7.950 8.316 -0.366 18223
2196 1 5 . 1 1 88 88 ARG N N 79 120.090 120.090 120.660 -0.570 18223
2197 1 5 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.457 -3.457 18223
2198 1 5 . 1 1 88 88 ARG H H 79 8.000 8.000 7.899 0.101 18223
2199 1 5 . 1 1 90 90 TYR C C 81 176.310 176.310 176.085 0.225 18223
2200 1 5 . 1 1 91 91 HIS N N 82 118.270 118.270 118.542 -0.272 18223
2201 1 5 . 1 1 91 91 HIS C C 82 174.940 174.940 175.145 -0.205 18223
2202 1 5 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.449 -0.599 18223
2203 1 5 . 1 1 91 91 HIS H H 82 8.130 8.130 8.099 0.031 18223
2204 1 5 . 1 1 92 92 SER N N 83 115.818 115.818 114.804 1.014 18223
2205 1 5 . 1 1 92 92 SER C C 83 175.470 175.470 172.972 2.498 18223
2206 1 5 . 1 1 92 92 SER CA C 83 59.430 59.430 58.016 1.414 18223
2207 1 5 . 1 1 92 92 SER CB C 83 63.870 63.870 62.930 0.940 18223
2208 1 5 . 1 1 92 92 SER H H 83 8.007 8.007 8.256 -0.249 18223
2209 1 5 . 1 1 93 93 GLY N N 84 110.518 110.518 108.386 2.132 18223
2210 1 5 . 1 1 93 93 GLY C C 84 174.740 174.740 173.098 1.642 18223
2211 1 5 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.977 0.953 18223
2212 1 5 . 1 1 93 93 GLY H H 84 8.099 8.099 7.850 0.249 18223
2213 1 5 . 1 1 94 94 LYS N N 85 120.088 120.088 119.534 0.554 18223
2214 1 5 . 1 1 94 94 LYS CA C 85 56.443 56.443 55.779 0.664 18223
2215 1 5 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.191 -0.831 18223
2216 1 5 . 1 1 94 94 LYS H H 85 7.810 7.810 7.298 0.512 18223
2217 1 5 . 1 1 95 95 PHE N N 86 118.766 118.766 114.761 4.005 18223
2218 1 5 . 1 1 95 95 PHE CA C 86 57.810 57.810 60.485 -2.675 18223
2219 1 5 . 1 1 95 95 PHE CB C 86 39.281 39.281 36.525 2.756 18223
2220 1 5 . 1 1 95 95 PHE H H 86 7.911 7.911 7.643 0.268 18223
2221 1 5 . 1 1 96 96 MET N N 87 120.600 120.600 119.358 1.242 18223
2222 1 5 . 1 1 96 96 MET CA C 87 53.150 53.150 59.284 -6.134 18223
2223 1 5 . 1 1 96 96 MET H H 87 7.670 7.670 8.488 -0.818 18223
2224 1 5 . 1 1 97 97 PRO C C 88 176.820 176.820 176.773 0.047 18223
2225 1 5 . 1 1 98 98 ALA N N 89 124.300 124.300 121.194 3.106 18223
2226 1 5 . 1 1 98 98 ALA C C 89 179.480 179.480 176.579 2.901 18223
2227 1 5 . 1 1 98 98 ALA CA C 89 53.390 53.390 51.222 2.168 18223
2228 1 5 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.822 -2.020 18223
2229 1 5 . 1 1 98 98 ALA H H 89 8.302 8.302 7.706 0.596 18223
2230 1 5 . 1 1 99 99 GLY N N 90 107.011 107.011 105.985 1.026 18223
2231 1 5 . 1 1 99 99 GLY C C 90 174.920 174.920 175.126 -0.206 18223
2232 1 5 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.824 1.056 18223
2233 1 5 . 1 1 99 99 GLY H H 90 8.341 8.341 8.335 0.006 18223
2234 1 5 . 1 1 100 100 LEU N N 91 120.873 120.873 123.720 -2.847 18223
2235 1 5 . 1 1 100 100 LEU C C 91 177.250 177.250 178.209 -0.959 18223
2236 1 5 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.188 -2.088 18223
2237 1 5 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.215 -0.121 18223
2238 1 5 . 1 1 100 100 LEU H H 91 7.732 7.732 8.010 -0.278 18223
2239 1 5 . 1 1 101 101 ILE N N 92 118.245 118.245 118.622 -0.377 18223
2240 1 5 . 1 1 101 101 ILE C C 92 177.130 177.130 176.820 0.310 18223
2241 1 5 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.497 -3.583 18223
2242 1 5 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.766 0.362 18223
2243 1 5 . 1 1 101 101 ILE H H 92 7.668 7.668 8.195 -0.527 18223
2244 1 5 . 1 1 102 102 ALA N N 93 127.523 127.523 121.605 5.918 18223
2245 1 5 . 1 1 102 102 ALA C C 93 179.370 179.370 179.699 -0.329 18223
2246 1 5 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.333 -2.495 18223
2247 1 5 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.020 0.999 18223
2248 1 5 . 1 1 102 102 ALA H H 93 8.110 8.110 8.242 -0.132 18223
2249 1 5 . 1 1 103 103 GLY N N 94 109.013 109.013 107.247 1.766 18223
2250 1 5 . 1 1 103 103 GLY C C 94 175.290 175.290 175.891 -0.601 18223
2251 1 5 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.995 -1.575 18223
2252 1 5 . 1 1 103 103 GLY H H 94 8.180 8.180 8.010 0.170 18223
2253 1 5 . 1 1 104 104 ALA N N 95 123.130 123.130 124.163 -1.033 18223
2254 1 5 . 1 1 104 104 ALA C C 95 180.040 180.040 179.726 0.314 18223
2255 1 5 . 1 1 104 104 ALA H H 95 8.230 8.230 8.219 0.011 18223
2256 1 5 . 1 1 105 105 SER N N 96 114.606 114.606 114.728 -0.122 18223
2257 1 5 . 1 1 105 105 SER C C 96 176.140 176.140 176.838 -0.698 18223
2258 1 5 . 1 1 105 105 SER H H 96 7.915 7.915 8.060 -0.145 18223
2259 1 5 . 1 1 106 106 LEU N N 97 122.651 122.651 123.257 -0.606 18223
2260 1 5 . 1 1 106 106 LEU C C 97 179.140 179.140 178.587 0.553 18223
2261 1 5 . 1 1 106 106 LEU H H 97 8.066 8.066 8.083 -0.017 18223
2262 1 5 . 1 1 108 108 MET N N 99 118.381 118.381 119.715 -1.334 18223
2263 1 5 . 1 1 108 108 MET C C 99 178.830 178.830 178.290 0.540 18223
2264 1 5 . 1 1 108 108 MET CA C 99 58.730 58.730 60.086 -1.356 18223
2265 1 5 . 1 1 108 108 MET H H 99 7.682 7.682 8.244 -0.562 18223
2266 1 5 . 1 1 109 109 VAL N N 100 118.713 118.713 115.962 2.751 18223
2267 1 5 . 1 1 109 109 VAL C C 100 177.930 177.930 177.691 0.239 18223
2268 1 5 . 1 1 109 109 VAL CA C 100 66.230 66.230 65.970 0.260 18223
2269 1 5 . 1 1 109 109 VAL H H 100 7.821 7.821 8.254 -0.433 18223
2270 1 5 . 1 1 110 110 ALA N N 101 122.160 122.160 123.809 -1.649 18223
2271 1 5 . 1 1 110 110 ALA C C 101 180.470 180.470 179.464 1.006 18223
2272 1 5 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.218 0.122 18223
2273 1 5 . 1 1 110 110 ALA H H 101 8.110 8.110 8.089 0.021 18223
2274 1 5 . 1 1 111 111 LYS N N 102 120.260 120.260 120.152 0.108 18223
2275 1 5 . 1 1 111 111 LYS C C 102 177.490 177.490 179.746 -2.256 18223
2276 1 5 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.327 -1.837 18223
2277 1 5 . 1 1 111 111 LYS H H 102 7.870 7.870 8.136 -0.266 18223
2278 1 5 . 1 1 112 112 VAL N N 103 120.410 120.410 117.625 2.785 18223
2279 1 5 . 1 1 112 112 VAL C C 103 176.240 176.240 177.332 -1.092 18223
2280 1 5 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.412 0.308 18223
2281 1 5 . 1 1 112 112 VAL H H 103 7.990 7.990 8.004 -0.014 18223
2282 1 5 . 1 1 113 113 GLY N N 104 108.926 108.926 107.852 1.074 18223
2283 1 5 . 1 1 113 113 GLY C C 104 175.150 175.150 174.208 0.942 18223
2284 1 5 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.333 1.317 18223
2285 1 5 . 1 1 113 113 GLY H H 104 8.477 8.477 7.662 0.815 18223
2286 1 5 . 1 1 114 114 VAL N N 105 119.350 119.350 118.736 0.614 18223
2287 1 5 . 1 1 114 114 VAL C C 105 178.390 178.390 174.304 4.086 18223
2288 1 5 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.454 3.686 18223
2289 1 5 . 1 1 114 114 VAL H H 105 8.310 8.310 7.789 0.521 18223
2290 1 5 . 1 1 115 115 SER N N 106 115.964 115.964 121.419 -5.455 18223
2291 1 5 . 1 1 115 115 SER C C 106 177.250 177.250 172.742 4.508 18223
2292 1 5 . 1 1 115 115 SER CA C 106 61.130 61.130 59.431 1.699 18223
2293 1 5 . 1 1 115 115 SER H H 106 7.815 7.815 8.509 -0.694 18223
2294 1 5 . 1 1 116 116 MET N N 107 120.190 120.190 120.759 -0.569 18223
2295 1 5 . 1 1 116 116 MET C C 107 177.190 177.190 175.356 1.834 18223
2296 1 5 . 1 1 116 116 MET CA C 107 57.450 57.450 54.811 2.639 18223
2297 1 5 . 1 1 116 116 MET H H 107 7.820 7.820 7.875 -0.055 18223
2298 1 5 . 1 1 117 117 PHE N N 108 117.325 117.325 123.729 -6.404 18223
2299 1 5 . 1 1 117 117 PHE C C 108 175.740 175.740 175.432 0.308 18223
2300 1 5 . 1 1 117 117 PHE CA C 108 58.870 58.870 60.905 -2.035 18223
2301 1 5 . 1 1 117 117 PHE H H 108 7.735 7.735 8.855 -1.120 18223
2302 1 5 . 1 1 118 118 ASN N N 109 118.878 118.878 113.976 4.902 18223
2303 1 5 . 1 1 118 118 ASN C C 109 174.830 174.830 174.279 0.551 18223
2304 1 5 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.687 0.373 18223
2305 1 5 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.342 -0.277 18223
2306 1 5 . 1 1 118 118 ASN H H 109 7.907 7.907 8.115 -0.208 18223
2307 1 5 . 1 1 119 119 ARG N N 110 122.870 122.870 120.362 2.508 18223
2308 1 5 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.154 -0.004 18223
2309 1 5 . 1 1 119 119 ARG H H 110 7.894 7.894 8.425 -0.531 18223
2310 1 5 . 1 1 120 120 PRO C C 111 176.590 176.590 176.012 0.578 18223
2311 1 6 . 1 1 11 11 GLN C C 2 176.170 176.170 174.311 1.859 18223
2312 1 6 . 1 1 12 12 ASP N N 3 120.369 120.369 121.157 -0.788 18223
2313 1 6 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.665 -0.515 18223
2314 1 6 . 1 1 12 12 ASP C C 3 176.980 176.980 176.397 0.583 18223
2315 1 6 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.115 0.722 18223
2316 1 6 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.540 -0.744 18223
2317 1 6 . 1 1 12 12 ASP H H 3 8.275 8.275 8.425 -0.150 18223
2318 1 6 . 1 1 13 13 THR N N 4 114.220 114.220 114.668 -0.448 18223
2319 1 6 . 1 1 13 13 THR HA H 4 4.636 4.636 4.167 0.469 18223
2320 1 6 . 1 1 13 13 THR C C 4 175.530 175.530 175.446 0.084 18223
2321 1 6 . 1 1 13 13 THR CA C 4 62.790 62.790 62.825 -0.035 18223
2322 1 6 . 1 1 13 13 THR CB C 4 69.134 69.134 69.825 -0.691 18223
2323 1 6 . 1 1 13 13 THR H H 4 7.990 7.990 8.106 -0.116 18223
2324 1 6 . 1 1 14 14 SER N N 5 117.664 117.664 117.184 0.480 18223
2325 1 6 . 1 1 14 14 SER HA H 5 4.296 4.296 4.256 0.040 18223
2326 1 6 . 1 1 14 14 SER C C 5 175.200 175.200 174.489 0.711 18223
2327 1 6 . 1 1 14 14 SER CA C 5 59.443 59.443 60.733 -1.290 18223
2328 1 6 . 1 1 14 14 SER CB C 5 63.438 63.438 63.443 -0.005 18223
2329 1 6 . 1 1 14 14 SER H H 5 8.255 8.255 8.541 -0.286 18223
2330 1 6 . 1 1 15 15 SER N N 6 117.093 117.093 115.689 1.404 18223
2331 1 6 . 1 1 15 15 SER HA H 6 4.317 4.317 4.160 0.157 18223
2332 1 6 . 1 1 15 15 SER C C 6 174.770 174.770 174.909 -0.139 18223
2333 1 6 . 1 1 15 15 SER CA C 6 58.737 58.737 58.858 -0.121 18223
2334 1 6 . 1 1 15 15 SER CB C 6 63.656 63.656 63.845 -0.189 18223
2335 1 6 . 1 1 15 15 SER H H 6 8.050 8.050 7.886 0.164 18223
2336 1 6 . 1 1 16 16 VAL N N 7 119.995 119.995 120.243 -0.248 18223
2337 1 6 . 1 1 16 16 VAL C C 7 176.150 176.150 175.517 0.633 18223
2338 1 6 . 1 1 16 16 VAL CA C 7 62.743 62.743 64.699 -1.956 18223
2339 1 6 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.794 1.421 18223
2340 1 6 . 1 1 16 16 VAL H H 7 7.775 7.775 8.359 -0.584 18223
2341 1 6 . 1 1 17 17 VAL N N 8 121.090 121.090 117.942 3.148 18223
2342 1 6 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.807 1.103 18223
2343 1 6 . 1 1 17 17 VAL H H 8 7.730 7.730 7.801 -0.071 18223
2344 1 6 . 1 1 18 18 PRO C C 9 178.410 178.410 177.258 1.152 18223
2345 1 6 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.524 1.986 18223
2346 1 6 . 1 1 19 19 LEU N N 10 121.410 121.410 122.092 -0.682 18223
2347 1 6 . 1 1 19 19 LEU C C 10 178.910 178.910 178.546 0.364 18223
2348 1 6 . 1 1 19 19 LEU CA C 10 56.850 56.850 58.861 -2.011 18223
2349 1 6 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.496 -0.051 18223
2350 1 6 . 1 1 19 19 LEU H H 10 7.930 7.930 8.281 -0.351 18223
2351 1 6 . 1 1 20 20 HIS N N 11 116.900 116.900 114.677 2.223 18223
2352 1 6 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.314 0.317 18223
2353 1 6 . 1 1 20 20 HIS C C 11 174.990 174.990 177.781 -2.791 18223
2354 1 6 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.123 -2.123 18223
2355 1 6 . 1 1 20 20 HIS CB C 11 27.960 27.960 28.366 -0.406 18223
2356 1 6 . 1 1 20 20 HIS H H 11 8.384 8.384 8.236 0.148 18223
2357 1 6 . 1 1 21 21 TRP C C 12 177.660 177.660 178.780 -1.120 18223
2358 1 6 . 1 1 22 22 PHE N N 13 119.238 119.238 119.206 0.032 18223
2359 1 6 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.253 0.035 18223
2360 1 6 . 1 1 22 22 PHE C C 13 177.410 177.410 178.035 -0.625 18223
2361 1 6 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.402 -1.704 18223
2362 1 6 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.523 -0.179 18223
2363 1 6 . 1 1 22 22 PHE H H 13 7.883 7.883 8.805 -0.922 18223
2364 1 6 . 1 1 23 23 GLY N N 14 107.209 107.209 106.840 0.369 18223
2365 1 6 . 1 1 23 23 GLY C C 14 176.220 176.220 176.267 -0.047 18223
2366 1 6 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.302 -0.222 18223
2367 1 6 . 1 1 23 23 GLY H H 14 7.911 7.911 8.205 -0.294 18223
2368 1 6 . 1 1 24 24 PHE N N 15 121.880 121.880 122.678 -0.798 18223
2369 1 6 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.314 0.099 18223
2370 1 6 . 1 1 24 24 PHE C C 15 177.840 177.840 178.013 -0.173 18223
2371 1 6 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.122 -1.032 18223
2372 1 6 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.807 0.042 18223
2373 1 6 . 1 1 24 24 PHE H H 15 7.900 7.900 8.505 -0.605 18223
2374 1 6 . 1 1 25 25 GLY N N 16 107.640 107.640 107.338 0.302 18223
2375 1 6 . 1 1 25 25 GLY C C 16 174.910 174.910 175.723 -0.813 18223
2376 1 6 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.084 0.246 18223
2377 1 6 . 1 1 25 25 GLY H H 16 8.320 8.320 8.657 -0.337 18223
2378 1 6 . 1 1 26 26 TYR N N 17 121.804 121.804 123.713 -1.909 18223
2379 1 6 . 1 1 26 26 TYR C C 17 177.120 177.120 176.938 0.182 18223
2380 1 6 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.068 0.602 18223
2381 1 6 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.542 -0.141 18223
2382 1 6 . 1 1 26 26 TYR H H 17 8.365 8.365 8.319 0.046 18223
2383 1 6 . 1 1 27 27 ALA N N 18 120.785 120.785 121.140 -0.355 18223
2384 1 6 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.695 0.188 18223
2385 1 6 . 1 1 27 27 ALA C C 18 178.790 178.790 179.113 -0.323 18223
2386 1 6 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.000 0.040 18223
2387 1 6 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.931 -0.210 18223
2388 1 6 . 1 1 27 27 ALA H H 18 7.949 7.949 8.298 -0.349 18223
2389 1 6 . 1 1 28 28 ALA N N 19 120.210 120.210 120.816 -0.606 18223
2390 1 6 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.771 0.079 18223
2391 1 6 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.199 -0.478 18223
2392 1 6 . 1 1 28 28 ALA H H 19 7.870 7.870 8.058 -0.188 18223
2393 1 6 . 1 1 29 29 LEU N N 20 120.090 120.090 120.149 -0.059 18223
2394 1 6 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.863 -5.863 18223
2395 1 6 . 1 1 29 29 LEU H H 20 8.000 8.000 7.827 0.172 18223
2396 1 6 . 1 1 30 30 VAL N N 21 118.299 118.299 119.681 -1.382 18223
2397 1 6 . 1 1 30 30 VAL C C 21 178.920 178.920 178.070 0.850 18223
2398 1 6 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.518 -0.898 18223
2399 1 6 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.677 0.601 18223
2400 1 6 . 1 1 30 30 VAL H H 21 7.947 7.947 7.926 0.021 18223
2401 1 6 . 1 1 31 31 ALA N N 22 122.600 122.600 120.438 2.162 18223
2402 1 6 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.891 0.282 18223
2403 1 6 . 1 1 31 31 ALA C C 22 179.540 179.540 179.684 -0.144 18223
2404 1 6 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.255 -1.047 18223
2405 1 6 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.933 0.509 18223
2406 1 6 . 1 1 31 31 ALA H H 22 7.819 7.819 8.106 -0.287 18223
2407 1 6 . 1 1 32 32 SER N N 23 113.502 113.502 115.608 -2.106 18223
2408 1 6 . 1 1 32 32 SER HA H 23 4.015 4.015 3.987 0.028 18223
2409 1 6 . 1 1 32 32 SER C C 23 175.890 175.890 176.888 -0.998 18223
2410 1 6 . 1 1 32 32 SER CA C 23 60.490 60.490 62.642 -2.152 18223
2411 1 6 . 1 1 32 32 SER CB C 23 63.510 63.510 62.809 0.701 18223
2412 1 6 . 1 1 32 32 SER H H 23 7.826 7.826 8.167 -0.341 18223
2413 1 6 . 1 1 33 33 GLY N N 24 109.939 109.939 108.496 1.443 18223
2414 1 6 . 1 1 33 33 GLY C C 24 176.180 176.180 175.538 0.642 18223
2415 1 6 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.943 -0.293 18223
2416 1 6 . 1 1 33 33 GLY H H 24 7.985 7.985 8.233 -0.248 18223
2417 1 6 . 1 1 34 34 GLY N N 25 109.396 109.396 110.180 -0.784 18223
2418 1 6 . 1 1 34 34 GLY C C 25 175.330 175.330 176.046 -0.716 18223
2419 1 6 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.736 -0.566 18223
2420 1 6 . 1 1 34 34 GLY H H 25 8.235 8.235 7.955 0.280 18223
2421 1 6 . 1 1 35 35 ILE N N 26 120.211 120.211 123.165 -2.954 18223
2422 1 6 . 1 1 35 35 ILE C C 26 177.400 177.400 178.164 -0.764 18223
2423 1 6 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.715 -1.885 18223
2424 1 6 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.105 -0.266 18223
2425 1 6 . 1 1 35 35 ILE H H 26 7.998 7.998 8.087 -0.089 18223
2426 1 6 . 1 1 36 36 ILE N N 27 120.051 120.051 119.234 0.817 18223
2427 1 6 . 1 1 36 36 ILE C C 27 177.900 177.900 178.114 -0.214 18223
2428 1 6 . 1 1 36 36 ILE CA C 27 63.850 63.850 63.534 0.316 18223
2429 1 6 . 1 1 36 36 ILE CB C 27 36.830 36.830 35.735 1.095 18223
2430 1 6 . 1 1 36 36 ILE H H 27 7.998 7.998 8.720 -0.722 18223
2431 1 6 . 1 1 37 37 GLY N N 28 107.531 107.531 107.443 0.088 18223
2432 1 6 . 1 1 37 37 GLY C C 28 176.120 176.120 176.631 -0.511 18223
2433 1 6 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.479 0.321 18223
2434 1 6 . 1 1 37 37 GLY H H 28 7.983 7.983 7.547 0.436 18223
2435 1 6 . 1 1 38 38 TYR N N 29 120.900 120.900 121.172 -0.272 18223
2436 1 6 . 1 1 38 38 TYR C C 29 176.530 176.530 177.704 -1.174 18223
2437 1 6 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.234 -0.504 18223
2438 1 6 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.670 -0.182 18223
2439 1 6 . 1 1 38 38 TYR H H 29 7.726 7.726 8.143 -0.417 18223
2440 1 6 . 1 1 39 39 VAL N N 30 117.958 117.958 115.765 2.193 18223
2441 1 6 . 1 1 39 39 VAL C C 30 177.600 177.600 176.309 1.291 18223
2442 1 6 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.132 0.243 18223
2443 1 6 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.720 -1.299 18223
2444 1 6 . 1 1 39 39 VAL H H 30 7.849 7.849 8.373 -0.524 18223
2445 1 6 . 1 1 40 40 LYS N N 31 120.116 120.116 117.310 2.806 18223
2446 1 6 . 1 1 40 40 LYS C C 31 177.090 177.090 174.742 2.348 18223
2447 1 6 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.095 -0.325 18223
2448 1 6 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.454 0.761 18223
2449 1 6 . 1 1 40 40 LYS H H 31 8.072 8.072 7.584 0.488 18223
2450 1 6 . 1 1 41 41 ALA N N 32 122.082 122.082 120.850 1.232 18223
2451 1 6 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.373 -0.132 18223
2452 1 6 . 1 1 41 41 ALA C C 32 178.780 178.780 176.171 2.609 18223
2453 1 6 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.061 1.199 18223
2454 1 6 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.158 -1.428 18223
2455 1 6 . 1 1 41 41 ALA H H 32 7.786 7.786 7.537 0.249 18223
2456 1 6 . 1 1 42 42 GLY N N 33 106.746 106.746 108.432 -1.686 18223
2457 1 6 . 1 1 42 42 GLY C C 33 174.790 174.790 174.235 0.555 18223
2458 1 6 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.676 1.144 18223
2459 1 6 . 1 1 42 42 GLY H H 33 7.964 7.964 8.314 -0.350 18223
2460 1 6 . 1 1 43 43 SER N N 34 115.541 115.541 116.925 -1.384 18223
2461 1 6 . 1 1 43 43 SER HA H 34 4.491 4.491 4.487 0.004 18223
2462 1 6 . 1 1 43 43 SER C C 34 174.920 174.920 175.689 -0.769 18223
2463 1 6 . 1 1 43 43 SER CA C 34 58.730 58.730 58.630 0.100 18223
2464 1 6 . 1 1 43 43 SER CB C 34 63.798 63.798 64.109 -0.311 18223
2465 1 6 . 1 1 43 43 SER H H 34 8.049 8.049 8.048 0.001 18223
2466 1 6 . 1 1 44 44 VAL N N 35 121.887 121.887 125.982 -4.095 18223
2467 1 6 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.755 -1.425 18223
2468 1 6 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.926 -1.596 18223
2469 1 6 . 1 1 44 44 VAL H H 35 8.332 8.332 8.854 -0.522 18223
2470 1 6 . 1 1 46 46 SER N N 37 113.762 113.762 113.931 -0.169 18223
2471 1 6 . 1 1 46 46 SER CA C 37 61.130 61.130 61.481 -0.351 18223
2472 1 6 . 1 1 46 46 SER CB C 37 62.789 62.789 62.885 -0.096 18223
2473 1 6 . 1 1 46 46 SER H H 37 7.924 7.924 8.113 -0.189 18223
2474 1 6 . 1 1 47 47 LEU N N 38 124.450 124.450 122.135 2.315 18223
2475 1 6 . 1 1 47 47 LEU C C 38 176.440 176.440 178.286 -1.846 18223
2476 1 6 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.969 -0.609 18223
2477 1 6 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.808 -0.003 18223
2478 1 6 . 1 1 47 47 LEU H H 38 8.108 8.108 7.548 0.560 18223
2479 1 6 . 1 1 48 48 ALA N N 39 121.290 121.290 120.492 0.798 18223
2480 1 6 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.073 -0.463 18223
2481 1 6 . 1 1 48 48 ALA H H 39 8.250 8.250 7.809 0.441 18223
2482 1 6 . 1 1 49 49 ALA N N 40 120.070 120.070 119.521 0.549 18223
2483 1 6 . 1 1 49 49 ALA C C 40 179.910 179.910 179.675 0.235 18223
2484 1 6 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.946 0.164 18223
2485 1 6 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.421 -0.340 18223
2486 1 6 . 1 1 49 49 ALA H H 40 8.145 8.145 8.256 -0.111 18223
2487 1 6 . 1 1 50 50 GLY N N 41 104.977 104.977 107.568 -2.591 18223
2488 1 6 . 1 1 50 50 GLY C C 41 174.870 174.870 175.910 -1.040 18223
2489 1 6 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.782 0.143 18223
2490 1 6 . 1 1 50 50 GLY H H 41 8.103 8.103 7.960 0.143 18223
2491 1 6 . 1 1 51 51 LEU N N 42 122.431 122.431 122.391 0.040 18223
2492 1 6 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.767 -0.437 18223
2493 1 6 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.990 -0.185 18223
2494 1 6 . 1 1 51 51 LEU H H 42 7.796 7.796 7.756 0.040 18223
2495 1 6 . 1 1 52 52 LEU N N 43 119.483 119.483 120.143 -0.660 18223
2496 1 6 . 1 1 52 52 LEU C C 43 179.910 179.910 179.142 0.768 18223
2497 1 6 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.689 -0.919 18223
2498 1 6 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.840 -0.467 18223
2499 1 6 . 1 1 52 52 LEU H H 43 7.862 7.862 7.824 0.038 18223
2500 1 6 . 1 1 53 53 PHE N N 44 117.117 117.117 116.598 0.519 18223
2501 1 6 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.256 0.115 18223
2502 1 6 . 1 1 53 53 PHE C C 44 178.530 178.530 178.315 0.215 18223
2503 1 6 . 1 1 53 53 PHE CA C 44 60.150 60.150 60.643 -0.493 18223
2504 1 6 . 1 1 53 53 PHE CB C 44 38.128 38.128 37.321 0.807 18223
2505 1 6 . 1 1 53 53 PHE H H 44 8.343 8.343 8.073 0.270 18223
2506 1 6 . 1 1 54 54 GLY N N 45 107.605 107.605 108.671 -1.066 18223
2507 1 6 . 1 1 54 54 GLY C C 45 176.400 176.400 175.642 0.758 18223
2508 1 6 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.347 -0.597 18223
2509 1 6 . 1 1 54 54 GLY H H 45 8.150 8.150 7.657 0.493 18223
2510 1 6 . 1 1 55 55 SER N N 46 117.713 117.713 118.207 -0.494 18223
2511 1 6 . 1 1 55 55 SER C C 46 176.130 176.130 176.779 -0.649 18223
2512 1 6 . 1 1 55 55 SER CA C 46 61.240 61.240 61.442 -0.202 18223
2513 1 6 . 1 1 55 55 SER CB C 46 63.294 63.294 63.114 0.180 18223
2514 1 6 . 1 1 55 55 SER H H 46 7.942 7.942 7.909 0.033 18223
2515 1 6 . 1 1 56 56 LEU N N 47 121.618 121.618 122.149 -0.531 18223
2516 1 6 . 1 1 56 56 LEU C C 47 178.510 178.510 178.328 0.182 18223
2517 1 6 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.205 -1.445 18223
2518 1 6 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.575 -0.419 18223
2519 1 6 . 1 1 56 56 LEU H H 47 7.910 7.910 7.995 -0.085 18223
2520 1 6 . 1 1 57 57 ALA N N 48 121.557 121.557 120.377 1.180 18223
2521 1 6 . 1 1 57 57 ALA C C 48 180.040 180.040 179.902 0.138 18223
2522 1 6 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.181 -0.631 18223
2523 1 6 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.854 0.227 18223
2524 1 6 . 1 1 57 57 ALA H H 48 7.878 7.878 8.176 -0.298 18223
2525 1 6 . 1 1 58 58 GLY N N 49 106.435 106.435 107.423 -0.988 18223
2526 1 6 . 1 1 58 58 GLY C C 49 175.740 175.740 175.939 -0.199 18223
2527 1 6 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.814 -0.534 18223
2528 1 6 . 1 1 58 58 GLY H H 49 8.085 8.085 8.167 -0.082 18223
2529 1 6 . 1 1 59 59 LEU N N 50 121.230 121.230 122.650 -1.420 18223
2530 1 6 . 1 1 59 59 LEU C C 50 178.390 178.390 180.057 -1.667 18223
2531 1 6 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.520 -2.090 18223
2532 1 6 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.203 0.458 18223
2533 1 6 . 1 1 59 59 LEU H H 50 7.770 7.770 8.006 -0.236 18223
2534 1 6 . 1 1 60 60 GLY N N 51 106.525 106.525 106.669 -0.144 18223
2535 1 6 . 1 1 60 60 GLY C C 51 174.820 174.820 175.590 -0.770 18223
2536 1 6 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.010 -0.720 18223
2537 1 6 . 1 1 60 60 GLY H H 51 8.090 8.090 7.902 0.188 18223
2538 1 6 . 1 1 61 61 ALA N N 52 122.773 122.773 124.246 -1.473 18223
2539 1 6 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.101 0.001 18223
2540 1 6 . 1 1 61 61 ALA C C 52 178.320 178.320 178.624 -0.304 18223
2541 1 6 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.379 -0.959 18223
2542 1 6 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.796 -0.354 18223
2543 1 6 . 1 1 61 61 ALA H H 52 7.819 7.819 8.015 -0.196 18223
2544 1 6 . 1 1 62 62 TYR N N 53 118.481 118.481 116.800 1.681 18223
2545 1 6 . 1 1 62 62 TYR C C 53 176.390 176.390 173.914 2.476 18223
2546 1 6 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.740 2.260 18223
2547 1 6 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.394 0.950 18223
2548 1 6 . 1 1 62 62 TYR H H 53 7.794 7.794 7.785 0.009 18223
2549 1 6 . 1 1 63 63 GLN N N 54 120.770 120.770 115.919 4.851 18223
2550 1 6 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.824 -0.264 18223
2551 1 6 . 1 1 63 63 GLN CB C 54 28.648 28.648 25.547 3.101 18223
2552 1 6 . 1 1 63 63 GLN H H 54 8.033 8.033 8.512 -0.479 18223
2553 1 6 . 1 1 64 64 LEU N N 55 121.847 121.847 122.597 -0.750 18223
2554 1 6 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.560 -0.390 18223
2555 1 6 . 1 1 64 64 LEU C C 55 177.790 177.790 176.442 1.348 18223
2556 1 6 . 1 1 64 64 LEU CA C 55 56.010 56.010 56.428 -0.418 18223
2557 1 6 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.899 -2.094 18223
2558 1 6 . 1 1 64 64 LEU H H 55 8.018 8.018 8.033 -0.015 18223
2559 1 6 . 1 1 65 65 SER N N 56 113.937 113.937 114.205 -0.268 18223
2560 1 6 . 1 1 65 65 SER C C 56 174.710 174.710 173.563 1.147 18223
2561 1 6 . 1 1 65 65 SER CA C 56 59.050 59.050 58.734 0.316 18223
2562 1 6 . 1 1 65 65 SER CB C 56 63.554 63.554 62.690 0.864 18223
2563 1 6 . 1 1 65 65 SER H H 56 7.892 7.892 8.205 -0.313 18223
2564 1 6 . 1 1 66 66 GLN N N 57 120.154 120.154 120.232 -0.078 18223
2565 1 6 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.458 -0.215 18223
2566 1 6 . 1 1 66 66 GLN C C 57 175.760 175.760 174.262 1.498 18223
2567 1 6 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.079 -0.429 18223
2568 1 6 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.782 -0.234 18223
2569 1 6 . 1 1 66 66 GLN H H 57 7.625 7.625 8.145 -0.520 18223
2570 1 6 . 1 1 67 67 ASP N N 58 120.090 120.090 119.059 1.031 18223
2571 1 6 . 1 1 67 67 ASP CA C 58 52.000 52.000 51.847 0.153 18223
2572 1 6 . 1 1 67 67 ASP H H 58 8.000 8.000 8.031 -0.031 18223
2573 1 6 . 1 1 68 68 PRO C C 59 177.890 177.890 178.603 -0.713 18223
2574 1 6 . 1 1 69 69 ARG N N 60 117.806 117.806 119.743 -1.937 18223
2575 1 6 . 1 1 69 69 ARG C C 60 178.330 178.330 178.732 -0.402 18223
2576 1 6 . 1 1 69 69 ARG CA C 60 58.895 58.895 59.579 -0.684 18223
2577 1 6 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.267 -0.065 18223
2578 1 6 . 1 1 69 69 ARG H H 60 8.402 8.402 8.597 -0.195 18223
2579 1 6 . 1 1 70 70 ASN N N 61 116.920 116.920 116.522 0.398 18223
2580 1 6 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.141 -0.841 18223
2581 1 6 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.631 0.436 18223
2582 1 6 . 1 1 70 70 ASN H H 61 7.930 7.930 8.334 -0.404 18223
2583 1 6 . 1 1 71 71 VAL N N 62 120.795 120.795 121.178 -0.383 18223
2584 1 6 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.296 -0.369 18223
2585 1 6 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.451 -0.457 18223
2586 1 6 . 1 1 71 71 VAL H H 62 7.783 7.783 7.713 0.070 18223
2587 1 6 . 1 1 72 72 TRP N N 63 120.550 120.550 120.827 -0.277 18223
2588 1 6 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.309 0.108 18223
2589 1 6 . 1 1 72 72 TRP C C 63 177.850 177.850 178.748 -0.898 18223
2590 1 6 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.240 -1.110 18223
2591 1 6 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.261 0.052 18223
2592 1 6 . 1 1 72 72 TRP H H 63 7.760 7.760 8.165 -0.405 18223
2593 1 6 . 1 1 73 73 VAL N N 64 117.896 117.896 118.222 -0.326 18223
2594 1 6 . 1 1 73 73 VAL C C 64 179.270 179.270 178.232 1.038 18223
2595 1 6 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.682 -0.152 18223
2596 1 6 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.320 -0.012 18223
2597 1 6 . 1 1 73 73 VAL H H 64 7.905 7.905 8.127 -0.222 18223
2598 1 6 . 1 1 74 74 PHE N N 65 122.086 122.086 121.209 0.877 18223
2599 1 6 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.413 -0.188 18223
2600 1 6 . 1 1 74 74 PHE C C 65 177.760 177.760 176.762 0.998 18223
2601 1 6 . 1 1 74 74 PHE CA C 65 61.290 61.290 60.578 0.712 18223
2602 1 6 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.990 -0.430 18223
2603 1 6 . 1 1 74 74 PHE H H 65 7.857 7.857 8.447 -0.590 18223
2604 1 6 . 1 1 75 75 LEU N N 66 121.304 121.304 122.304 -1.000 18223
2605 1 6 . 1 1 75 75 LEU C C 66 179.060 179.060 178.072 0.988 18223
2606 1 6 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.921 -0.121 18223
2607 1 6 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.470 -0.170 18223
2608 1 6 . 1 1 75 75 LEU H H 66 8.326 8.326 8.085 0.241 18223
2609 1 6 . 1 1 76 76 ALA N N 67 120.420 120.420 119.194 1.226 18223
2610 1 6 . 1 1 76 76 ALA HA H 67 4.396 4.396 4.052 0.344 18223
2611 1 6 . 1 1 76 76 ALA C C 67 180.180 180.180 179.745 0.435 18223
2612 1 6 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.405 -0.815 18223
2613 1 6 . 1 1 76 76 ALA H H 67 8.283 8.283 8.257 0.026 18223
2614 1 6 . 1 1 77 77 THR N N 68 111.152 111.152 115.552 -4.400 18223
2615 1 6 . 1 1 77 77 THR C C 68 175.830 175.830 176.748 -0.918 18223
2616 1 6 . 1 1 77 77 THR CA C 68 64.159 64.159 66.791 -2.632 18223
2617 1 6 . 1 1 77 77 THR CB C 68 69.711 69.711 68.372 1.339 18223
2618 1 6 . 1 1 77 77 THR H H 68 7.951 7.951 7.932 0.019 18223
2619 1 6 . 1 1 78 78 SER N N 69 117.883 117.883 116.501 1.382 18223
2620 1 6 . 1 1 78 78 SER C C 69 176.000 176.000 177.128 -1.128 18223
2621 1 6 . 1 1 78 78 SER CA C 69 60.730 60.730 61.116 -0.386 18223
2622 1 6 . 1 1 78 78 SER H H 69 7.839 7.839 8.013 -0.174 18223
2623 1 6 . 1 1 79 79 GLY N N 70 111.078 111.078 110.266 0.812 18223
2624 1 6 . 1 1 79 79 GLY C C 70 175.830 175.830 175.845 -0.015 18223
2625 1 6 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.597 -0.887 18223
2626 1 6 . 1 1 79 79 GLY H H 70 8.269 8.269 8.117 0.152 18223
2627 1 6 . 1 1 80 80 THR N N 71 117.727 117.727 117.206 0.521 18223
2628 1 6 . 1 1 80 80 THR C C 71 176.110 176.110 176.640 -0.530 18223
2629 1 6 . 1 1 80 80 THR CA C 71 66.178 66.178 65.060 1.118 18223
2630 1 6 . 1 1 80 80 THR CB C 71 68.630 68.630 68.798 -0.168 18223
2631 1 6 . 1 1 80 80 THR H H 71 7.823 7.823 7.834 -0.011 18223
2632 1 6 . 1 1 81 81 LEU N N 72 121.422 121.422 121.898 -0.476 18223
2633 1 6 . 1 1 81 81 LEU C C 72 178.620 178.620 178.662 -0.042 18223
2634 1 6 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.742 -1.052 18223
2635 1 6 . 1 1 81 81 LEU H H 72 7.846 7.846 8.187 -0.341 18223
2636 1 6 . 1 1 82 82 ALA N N 73 121.160 121.160 118.457 2.703 18223
2637 1 6 . 1 1 82 82 ALA C C 73 180.440 180.440 179.430 1.010 18223
2638 1 6 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.682 1.498 18223
2639 1 6 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.589 -0.724 18223
2640 1 6 . 1 1 82 82 ALA H H 73 8.050 8.050 8.313 -0.263 18223
2641 1 6 . 1 1 83 83 GLY N N 74 106.017 106.017 108.598 -2.581 18223
2642 1 6 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.660 0.350 18223
2643 1 6 . 1 1 83 83 GLY H H 74 8.132 8.132 7.775 0.357 18223
2644 1 6 . 1 1 84 84 ILE N N 75 122.030 122.030 120.146 1.884 18223
2645 1 6 . 1 1 84 84 ILE C C 75 178.530 178.530 176.558 1.972 18223
2646 1 6 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.962 0.769 18223
2647 1 6 . 1 1 84 84 ILE CB C 75 37.767 37.767 37.941 -0.174 18223
2648 1 6 . 1 1 84 84 ILE H H 75 7.930 7.930 8.005 -0.075 18223
2649 1 6 . 1 1 85 85 MET N N 76 117.920 117.920 117.679 0.241 18223
2650 1 6 . 1 1 85 85 MET CA C 76 57.810 57.810 54.612 3.198 18223
2651 1 6 . 1 1 85 85 MET H H 76 8.140 8.140 7.385 0.755 18223
2652 1 6 . 1 1 86 86 GLY N N 77 109.118 109.118 106.391 2.727 18223
2653 1 6 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.492 1.279 18223
2654 1 6 . 1 1 86 86 GLY H H 77 7.920 7.920 8.108 -0.188 18223
2655 1 6 . 1 1 87 87 MET N N 78 119.220 119.220 120.722 -1.502 18223
2656 1 6 . 1 1 87 87 MET CA C 78 55.810 55.810 56.096 -0.286 18223
2657 1 6 . 1 1 87 87 MET H H 78 7.950 7.950 8.338 -0.388 18223
2658 1 6 . 1 1 88 88 ARG N N 79 120.090 120.090 121.927 -1.837 18223
2659 1 6 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.741 -4.741 18223
2660 1 6 . 1 1 88 88 ARG H H 79 8.000 8.000 7.861 0.139 18223
2661 1 6 . 1 1 90 90 TYR C C 81 176.310 176.310 174.973 1.337 18223
2662 1 6 . 1 1 91 91 HIS N N 82 118.270 118.270 119.901 -1.631 18223
2663 1 6 . 1 1 91 91 HIS C C 82 174.940 174.940 174.707 0.233 18223
2664 1 6 . 1 1 91 91 HIS CA C 82 55.850 55.850 57.680 -1.830 18223
2665 1 6 . 1 1 91 91 HIS H H 82 8.130 8.130 8.328 -0.198 18223
2666 1 6 . 1 1 92 92 SER N N 83 115.818 115.818 114.028 1.790 18223
2667 1 6 . 1 1 92 92 SER C C 83 175.470 175.470 174.001 1.469 18223
2668 1 6 . 1 1 92 92 SER CA C 83 59.430 59.430 58.459 0.971 18223
2669 1 6 . 1 1 92 92 SER CB C 83 63.870 63.870 65.060 -1.190 18223
2670 1 6 . 1 1 92 92 SER H H 83 8.007 8.007 8.561 -0.554 18223
2671 1 6 . 1 1 93 93 GLY N N 84 110.518 110.518 112.441 -1.923 18223
2672 1 6 . 1 1 93 93 GLY C C 84 174.740 174.740 174.317 0.423 18223
2673 1 6 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.133 0.797 18223
2674 1 6 . 1 1 93 93 GLY H H 84 8.099 8.099 8.515 -0.416 18223
2675 1 6 . 1 1 94 94 LYS N N 85 120.088 120.088 123.809 -3.721 18223
2676 1 6 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.479 -0.036 18223
2677 1 6 . 1 1 94 94 LYS CB C 85 32.359 32.359 31.421 0.938 18223
2678 1 6 . 1 1 94 94 LYS H H 85 7.810 7.810 8.717 -0.907 18223
2679 1 6 . 1 1 95 95 PHE N N 86 118.766 118.766 118.062 0.704 18223
2680 1 6 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.946 -0.135 18223
2681 1 6 . 1 1 95 95 PHE CB C 86 39.281 39.281 39.800 -0.519 18223
2682 1 6 . 1 1 95 95 PHE H H 86 7.911 7.911 7.739 0.172 18223
2683 1 6 . 1 1 96 96 MET N N 87 120.600 120.600 121.792 -1.192 18223
2684 1 6 . 1 1 96 96 MET CA C 87 53.150 53.150 54.811 -1.661 18223
2685 1 6 . 1 1 96 96 MET H H 87 7.670 7.670 7.943 -0.273 18223
2686 1 6 . 1 1 97 97 PRO C C 88 176.820 176.820 175.464 1.356 18223
2687 1 6 . 1 1 98 98 ALA N N 89 124.300 124.300 123.877 0.423 18223
2688 1 6 . 1 1 98 98 ALA C C 89 179.480 179.480 176.069 3.411 18223
2689 1 6 . 1 1 98 98 ALA CA C 89 53.390 53.390 53.114 0.276 18223
2690 1 6 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.395 -0.593 18223
2691 1 6 . 1 1 98 98 ALA H H 89 8.302 8.302 8.300 0.002 18223
2692 1 6 . 1 1 99 99 GLY N N 90 107.011 107.011 108.006 -0.995 18223
2693 1 6 . 1 1 99 99 GLY C C 90 174.920 174.920 174.850 0.070 18223
2694 1 6 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.822 1.058 18223
2695 1 6 . 1 1 99 99 GLY H H 90 8.341 8.341 7.974 0.367 18223
2696 1 6 . 1 1 100 100 LEU N N 91 120.873 120.873 122.531 -1.658 18223
2697 1 6 . 1 1 100 100 LEU C C 91 177.250 177.250 178.669 -1.419 18223
2698 1 6 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.939 -1.839 18223
2699 1 6 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.785 0.309 18223
2700 1 6 . 1 1 100 100 LEU H H 91 7.732 7.732 8.198 -0.466 18223
2701 1 6 . 1 1 101 101 ILE N N 92 118.245 118.245 116.647 1.598 18223
2702 1 6 . 1 1 101 101 ILE C C 92 177.130 177.130 177.122 0.008 18223
2703 1 6 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.757 -3.844 18223
2704 1 6 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.481 1.647 18223
2705 1 6 . 1 1 101 101 ILE H H 92 7.668 7.668 7.937 -0.269 18223
2706 1 6 . 1 1 102 102 ALA N N 93 127.523 127.523 122.787 4.736 18223
2707 1 6 . 1 1 102 102 ALA C C 93 179.370 179.370 179.765 -0.395 18223
2708 1 6 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.428 -2.590 18223
2709 1 6 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.577 1.442 18223
2710 1 6 . 1 1 102 102 ALA H H 93 8.110 8.110 8.419 -0.309 18223
2711 1 6 . 1 1 103 103 GLY N N 94 109.013 109.013 106.886 2.127 18223
2712 1 6 . 1 1 103 103 GLY C C 94 175.290 175.290 175.938 -0.648 18223
2713 1 6 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.934 -1.514 18223
2714 1 6 . 1 1 103 103 GLY H H 94 8.180 8.180 7.493 0.687 18223
2715 1 6 . 1 1 104 104 ALA N N 95 123.130 123.130 124.483 -1.353 18223
2716 1 6 . 1 1 104 104 ALA C C 95 180.040 180.040 179.584 0.456 18223
2717 1 6 . 1 1 104 104 ALA H H 95 8.230 8.230 8.091 0.139 18223
2718 1 6 . 1 1 105 105 SER N N 96 114.606 114.606 114.227 0.379 18223
2719 1 6 . 1 1 105 105 SER C C 96 176.140 176.140 176.912 -0.772 18223
2720 1 6 . 1 1 105 105 SER H H 96 7.915 7.915 7.899 0.016 18223
2721 1 6 . 1 1 106 106 LEU N N 97 122.651 122.651 122.923 -0.272 18223
2722 1 6 . 1 1 106 106 LEU C C 97 179.140 179.140 178.701 0.439 18223
2723 1 6 . 1 1 106 106 LEU H H 97 8.066 8.066 7.870 0.196 18223
2724 1 6 . 1 1 108 108 MET N N 99 118.381 118.381 118.712 -0.331 18223
2725 1 6 . 1 1 108 108 MET C C 99 178.830 178.830 178.602 0.228 18223
2726 1 6 . 1 1 108 108 MET CA C 99 58.730 58.730 59.667 -0.937 18223
2727 1 6 . 1 1 108 108 MET H H 99 7.682 7.682 8.097 -0.415 18223
2728 1 6 . 1 1 109 109 VAL N N 100 118.713 118.713 118.362 0.351 18223
2729 1 6 . 1 1 109 109 VAL C C 100 177.930 177.930 177.482 0.448 18223
2730 1 6 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.990 -0.760 18223
2731 1 6 . 1 1 109 109 VAL H H 100 7.821 7.821 8.046 -0.225 18223
2732 1 6 . 1 1 110 110 ALA N N 101 122.160 122.160 122.062 0.098 18223
2733 1 6 . 1 1 110 110 ALA C C 101 180.470 180.470 179.505 0.965 18223
2734 1 6 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.367 -0.028 18223
2735 1 6 . 1 1 110 110 ALA H H 101 8.110 8.110 7.828 0.282 18223
2736 1 6 . 1 1 111 111 LYS N N 102 120.260 120.260 119.112 1.148 18223
2737 1 6 . 1 1 111 111 LYS C C 102 177.490 177.490 179.485 -1.995 18223
2738 1 6 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.451 -1.961 18223
2739 1 6 . 1 1 111 111 LYS H H 102 7.870 7.870 8.024 -0.154 18223
2740 1 6 . 1 1 112 112 VAL N N 103 120.410 120.410 118.806 1.604 18223
2741 1 6 . 1 1 112 112 VAL C C 103 176.240 176.240 177.823 -1.583 18223
2742 1 6 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.858 -0.138 18223
2743 1 6 . 1 1 112 112 VAL H H 103 7.990 7.990 8.064 -0.074 18223
2744 1 6 . 1 1 113 113 GLY N N 104 108.926 108.926 107.759 1.167 18223
2745 1 6 . 1 1 113 113 GLY C C 104 175.150 175.150 174.303 0.847 18223
2746 1 6 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.042 1.608 18223
2747 1 6 . 1 1 113 113 GLY H H 104 8.477 8.477 7.912 0.565 18223
2748 1 6 . 1 1 114 114 VAL N N 105 119.350 119.350 120.829 -1.479 18223
2749 1 6 . 1 1 114 114 VAL C C 105 178.390 178.390 176.454 1.936 18223
2750 1 6 . 1 1 114 114 VAL CA C 105 66.140 66.140 61.209 4.931 18223
2751 1 6 . 1 1 114 114 VAL H H 105 8.310 8.310 7.951 0.359 18223
2752 1 6 . 1 1 115 115 SER N N 106 115.964 115.964 120.359 -4.395 18223
2753 1 6 . 1 1 115 115 SER C C 106 177.250 177.250 173.847 3.403 18223
2754 1 6 . 1 1 115 115 SER CA C 106 61.130 61.130 61.059 0.071 18223
2755 1 6 . 1 1 115 115 SER H H 106 7.815 7.815 8.782 -0.967 18223
2756 1 6 . 1 1 116 116 MET N N 107 120.190 120.190 119.492 0.698 18223
2757 1 6 . 1 1 116 116 MET C C 107 177.190 177.190 175.717 1.473 18223
2758 1 6 . 1 1 116 116 MET CA C 107 57.450 57.450 56.462 0.988 18223
2759 1 6 . 1 1 116 116 MET H H 107 7.820 7.820 8.207 -0.387 18223
2760 1 6 . 1 1 117 117 PHE N N 108 117.325 117.325 120.231 -2.906 18223
2761 1 6 . 1 1 117 117 PHE C C 108 175.740 175.740 176.909 -1.169 18223
2762 1 6 . 1 1 117 117 PHE CA C 108 58.870 58.870 59.207 -0.337 18223
2763 1 6 . 1 1 117 117 PHE H H 108 7.735 7.735 8.574 -0.839 18223
2764 1 6 . 1 1 118 118 ASN N N 109 118.878 118.878 116.572 2.306 18223
2765 1 6 . 1 1 118 118 ASN C C 109 174.830 174.830 174.712 0.118 18223
2766 1 6 . 1 1 118 118 ASN CA C 109 53.060 53.060 54.174 -1.114 18223
2767 1 6 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.319 0.746 18223
2768 1 6 . 1 1 118 118 ASN H H 109 7.907 7.907 8.339 -0.432 18223
2769 1 6 . 1 1 119 119 ARG N N 110 122.870 122.870 117.928 4.942 18223
2770 1 6 . 1 1 119 119 ARG CA C 110 54.150 54.150 57.024 -2.874 18223
2771 1 6 . 1 1 119 119 ARG H H 110 7.894 7.894 8.615 -0.721 18223
2772 1 6 . 1 1 120 120 PRO C C 111 176.590 176.590 176.225 0.365 18223
2773 1 7 . 1 1 11 11 GLN C C 2 176.170 176.170 174.730 1.440 18223
2774 1 7 . 1 1 12 12 ASP N N 3 120.369 120.369 120.752 -0.383 18223
2775 1 7 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.426 -0.276 18223
2776 1 7 . 1 1 12 12 ASP C C 3 176.980 176.980 176.211 0.769 18223
2777 1 7 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.452 0.385 18223
2778 1 7 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.396 -0.600 18223
2779 1 7 . 1 1 12 12 ASP H H 3 8.275 8.275 8.391 -0.116 18223
2780 1 7 . 1 1 13 13 THR N N 4 114.220 114.220 115.083 -0.863 18223
2781 1 7 . 1 1 13 13 THR HA H 4 4.636 4.636 4.119 0.517 18223
2782 1 7 . 1 1 13 13 THR C C 4 175.530 175.530 174.782 0.748 18223
2783 1 7 . 1 1 13 13 THR CA C 4 62.790 62.790 63.192 -0.402 18223
2784 1 7 . 1 1 13 13 THR CB C 4 69.134 69.134 69.449 -0.315 18223
2785 1 7 . 1 1 13 13 THR H H 4 7.990 7.990 8.195 -0.205 18223
2786 1 7 . 1 1 14 14 SER N N 5 117.664 117.664 120.012 -2.348 18223
2787 1 7 . 1 1 14 14 SER HA H 5 4.296 4.296 4.420 -0.124 18223
2788 1 7 . 1 1 14 14 SER C C 5 175.200 175.200 174.645 0.555 18223
2789 1 7 . 1 1 14 14 SER CA C 5 59.443 59.443 58.635 0.808 18223
2790 1 7 . 1 1 14 14 SER CB C 5 63.438 63.438 62.222 1.216 18223
2791 1 7 . 1 1 14 14 SER H H 5 8.255 8.255 8.562 -0.307 18223
2792 1 7 . 1 1 15 15 SER N N 6 117.093 117.093 121.672 -4.579 18223
2793 1 7 . 1 1 15 15 SER HA H 6 4.317 4.317 4.403 -0.086 18223
2794 1 7 . 1 1 15 15 SER C C 6 174.770 174.770 175.522 -0.752 18223
2795 1 7 . 1 1 15 15 SER CA C 6 58.737 58.737 60.398 -1.661 18223
2796 1 7 . 1 1 15 15 SER CB C 6 63.656 63.656 63.184 0.472 18223
2797 1 7 . 1 1 15 15 SER H H 6 8.050 8.050 8.172 -0.122 18223
2798 1 7 . 1 1 16 16 VAL N N 7 119.995 119.995 117.844 2.151 18223
2799 1 7 . 1 1 16 16 VAL C C 7 176.150 176.150 175.712 0.438 18223
2800 1 7 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.929 -1.186 18223
2801 1 7 . 1 1 16 16 VAL CB C 7 32.215 32.215 31.237 0.978 18223
2802 1 7 . 1 1 16 16 VAL H H 7 7.775 7.775 7.888 -0.113 18223
2803 1 7 . 1 1 17 17 VAL N N 8 121.090 121.090 113.331 7.759 18223
2804 1 7 . 1 1 17 17 VAL CA C 8 60.910 60.910 58.783 2.127 18223
2805 1 7 . 1 1 17 17 VAL H H 8 7.730 7.730 7.437 0.293 18223
2806 1 7 . 1 1 18 18 PRO C C 9 178.410 178.410 177.732 0.678 18223
2807 1 7 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.582 1.928 18223
2808 1 7 . 1 1 19 19 LEU N N 10 121.410 121.410 121.583 -0.173 18223
2809 1 7 . 1 1 19 19 LEU C C 10 178.910 178.910 178.815 0.095 18223
2810 1 7 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.870 -3.020 18223
2811 1 7 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.565 -0.120 18223
2812 1 7 . 1 1 19 19 LEU H H 10 7.930 7.930 8.434 -0.504 18223
2813 1 7 . 1 1 20 20 HIS N N 11 116.900 116.900 117.049 -0.149 18223
2814 1 7 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.319 0.312 18223
2815 1 7 . 1 1 20 20 HIS C C 11 174.990 174.990 177.864 -2.874 18223
2816 1 7 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.512 -2.512 18223
2817 1 7 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.749 -1.789 18223
2818 1 7 . 1 1 20 20 HIS H H 11 8.384 8.384 8.549 -0.165 18223
2819 1 7 . 1 1 21 21 TRP C C 12 177.660 177.660 178.931 -1.271 18223
2820 1 7 . 1 1 22 22 PHE N N 13 119.238 119.238 118.562 0.676 18223
2821 1 7 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.189 0.099 18223
2822 1 7 . 1 1 22 22 PHE C C 13 177.410 177.410 177.650 -0.240 18223
2823 1 7 . 1 1 22 22 PHE CA C 13 60.698 60.698 61.752 -1.054 18223
2824 1 7 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.737 -0.393 18223
2825 1 7 . 1 1 22 22 PHE H H 13 7.883 7.883 8.654 -0.771 18223
2826 1 7 . 1 1 23 23 GLY N N 14 107.209 107.209 107.788 -0.579 18223
2827 1 7 . 1 1 23 23 GLY C C 14 176.220 176.220 175.824 0.396 18223
2828 1 7 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.086 -0.006 18223
2829 1 7 . 1 1 23 23 GLY H H 14 7.911 7.911 8.750 -0.839 18223
2830 1 7 . 1 1 24 24 PHE N N 15 121.880 121.880 122.917 -1.037 18223
2831 1 7 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.370 0.043 18223
2832 1 7 . 1 1 24 24 PHE C C 15 177.840 177.840 177.857 -0.017 18223
2833 1 7 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.101 -0.011 18223
2834 1 7 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.065 -0.216 18223
2835 1 7 . 1 1 24 24 PHE H H 15 7.900 7.900 8.398 -0.498 18223
2836 1 7 . 1 1 25 25 GLY N N 16 107.640 107.640 107.533 0.107 18223
2837 1 7 . 1 1 25 25 GLY C C 16 174.910 174.910 175.684 -0.774 18223
2838 1 7 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.077 0.253 18223
2839 1 7 . 1 1 25 25 GLY H H 16 8.320 8.320 8.581 -0.261 18223
2840 1 7 . 1 1 26 26 TYR N N 17 121.804 121.804 123.104 -1.300 18223
2841 1 7 . 1 1 26 26 TYR C C 17 177.120 177.120 177.161 -0.041 18223
2842 1 7 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.569 0.101 18223
2843 1 7 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.310 0.091 18223
2844 1 7 . 1 1 26 26 TYR H H 17 8.365 8.365 7.978 0.387 18223
2845 1 7 . 1 1 27 27 ALA N N 18 120.785 120.785 120.856 -0.071 18223
2846 1 7 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.878 0.005 18223
2847 1 7 . 1 1 27 27 ALA C C 18 178.790 178.790 178.970 -0.180 18223
2848 1 7 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.105 -0.065 18223
2849 1 7 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.861 -0.140 18223
2850 1 7 . 1 1 27 27 ALA H H 18 7.949 7.949 8.106 -0.157 18223
2851 1 7 . 1 1 28 28 ALA N N 19 120.210 120.210 120.482 -0.272 18223
2852 1 7 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.434 0.416 18223
2853 1 7 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.026 -0.305 18223
2854 1 7 . 1 1 28 28 ALA H H 19 7.870 7.870 7.749 0.121 18223
2855 1 7 . 1 1 29 29 LEU N N 20 120.090 120.090 119.957 0.133 18223
2856 1 7 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.762 -5.762 18223
2857 1 7 . 1 1 29 29 LEU H H 20 8.000 8.000 7.608 0.392 18223
2858 1 7 . 1 1 30 30 VAL N N 21 118.299 118.299 119.439 -1.140 18223
2859 1 7 . 1 1 30 30 VAL C C 21 178.920 178.920 178.193 0.727 18223
2860 1 7 . 1 1 30 30 VAL CA C 21 65.620 65.620 65.943 -0.323 18223
2861 1 7 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.644 0.633 18223
2862 1 7 . 1 1 30 30 VAL H H 21 7.947 7.947 8.013 -0.066 18223
2863 1 7 . 1 1 31 31 ALA N N 22 122.600 122.600 120.910 1.690 18223
2864 1 7 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.896 0.277 18223
2865 1 7 . 1 1 31 31 ALA C C 22 179.540 179.540 179.544 -0.004 18223
2866 1 7 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.250 -1.042 18223
2867 1 7 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.928 0.514 18223
2868 1 7 . 1 1 31 31 ALA H H 22 7.819 7.819 8.145 -0.326 18223
2869 1 7 . 1 1 32 32 SER N N 23 113.502 113.502 116.011 -2.509 18223
2870 1 7 . 1 1 32 32 SER HA H 23 4.015 4.015 3.926 0.089 18223
2871 1 7 . 1 1 32 32 SER C C 23 175.890 175.890 176.718 -0.828 18223
2872 1 7 . 1 1 32 32 SER CA C 23 60.490 60.490 63.102 -2.612 18223
2873 1 7 . 1 1 32 32 SER CB C 23 63.510 63.510 62.654 0.856 18223
2874 1 7 . 1 1 32 32 SER H H 23 7.826 7.826 8.097 -0.271 18223
2875 1 7 . 1 1 33 33 GLY N N 24 109.939 109.939 108.138 1.801 18223
2876 1 7 . 1 1 33 33 GLY C C 24 176.180 176.180 175.530 0.650 18223
2877 1 7 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.764 -0.114 18223
2878 1 7 . 1 1 33 33 GLY H H 24 7.985 7.985 8.204 -0.219 18223
2879 1 7 . 1 1 34 34 GLY N N 25 109.396 109.396 110.107 -0.711 18223
2880 1 7 . 1 1 34 34 GLY C C 25 175.330 175.330 175.965 -0.635 18223
2881 1 7 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.644 -0.474 18223
2882 1 7 . 1 1 34 34 GLY H H 25 8.235 8.235 7.891 0.344 18223
2883 1 7 . 1 1 35 35 ILE N N 26 120.211 120.211 123.103 -2.892 18223
2884 1 7 . 1 1 35 35 ILE C C 26 177.400 177.400 178.212 -0.812 18223
2885 1 7 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.558 -1.728 18223
2886 1 7 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.033 -0.194 18223
2887 1 7 . 1 1 35 35 ILE H H 26 7.998 7.998 8.046 -0.048 18223
2888 1 7 . 1 1 36 36 ILE N N 27 120.051 120.051 118.989 1.062 18223
2889 1 7 . 1 1 36 36 ILE C C 27 177.900 177.900 178.021 -0.121 18223
2890 1 7 . 1 1 36 36 ILE CA C 27 63.850 63.850 63.364 0.486 18223
2891 1 7 . 1 1 36 36 ILE CB C 27 36.830 36.830 35.619 1.211 18223
2892 1 7 . 1 1 36 36 ILE H H 27 7.998 7.998 8.616 -0.618 18223
2893 1 7 . 1 1 37 37 GLY N N 28 107.531 107.531 107.694 -0.163 18223
2894 1 7 . 1 1 37 37 GLY C C 28 176.120 176.120 176.710 -0.590 18223
2895 1 7 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.522 0.278 18223
2896 1 7 . 1 1 37 37 GLY H H 28 7.983 7.983 7.508 0.475 18223
2897 1 7 . 1 1 38 38 TYR N N 29 120.900 120.900 121.181 -0.281 18223
2898 1 7 . 1 1 38 38 TYR C C 29 176.530 176.530 177.947 -1.417 18223
2899 1 7 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.121 -0.391 18223
2900 1 7 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.443 0.045 18223
2901 1 7 . 1 1 38 38 TYR H H 29 7.726 7.726 8.042 -0.316 18223
2902 1 7 . 1 1 39 39 VAL N N 30 117.958 117.958 115.685 2.273 18223
2903 1 7 . 1 1 39 39 VAL C C 30 177.600 177.600 176.904 0.696 18223
2904 1 7 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.757 0.618 18223
2905 1 7 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.179 -0.758 18223
2906 1 7 . 1 1 39 39 VAL H H 30 7.849 7.849 8.407 -0.558 18223
2907 1 7 . 1 1 40 40 LYS N N 31 120.116 120.116 116.679 3.437 18223
2908 1 7 . 1 1 40 40 LYS C C 31 177.090 177.090 174.809 2.281 18223
2909 1 7 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.028 -0.258 18223
2910 1 7 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.627 0.589 18223
2911 1 7 . 1 1 40 40 LYS H H 31 8.072 8.072 7.651 0.421 18223
2912 1 7 . 1 1 41 41 ALA N N 32 122.082 122.082 120.898 1.184 18223
2913 1 7 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.369 -0.128 18223
2914 1 7 . 1 1 41 41 ALA C C 32 178.780 178.780 176.249 2.531 18223
2915 1 7 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.128 1.132 18223
2916 1 7 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.230 -1.500 18223
2917 1 7 . 1 1 41 41 ALA H H 32 7.786 7.786 7.533 0.253 18223
2918 1 7 . 1 1 42 42 GLY N N 33 106.746 106.746 108.926 -2.180 18223
2919 1 7 . 1 1 42 42 GLY C C 33 174.790 174.790 174.513 0.277 18223
2920 1 7 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.316 0.504 18223
2921 1 7 . 1 1 42 42 GLY H H 33 7.964 7.964 8.759 -0.795 18223
2922 1 7 . 1 1 43 43 SER N N 34 115.541 115.541 117.614 -2.073 18223
2923 1 7 . 1 1 43 43 SER HA H 34 4.491 4.491 4.579 -0.088 18223
2924 1 7 . 1 1 43 43 SER C C 34 174.920 174.920 175.357 -0.437 18223
2925 1 7 . 1 1 43 43 SER CA C 34 58.730 58.730 57.339 1.391 18223
2926 1 7 . 1 1 43 43 SER CB C 34 63.798 63.798 64.123 -0.325 18223
2927 1 7 . 1 1 43 43 SER H H 34 8.049 8.049 7.983 0.066 18223
2928 1 7 . 1 1 44 44 VAL N N 35 121.887 121.887 127.653 -5.766 18223
2929 1 7 . 1 1 44 44 VAL CA C 35 65.330 65.330 65.723 -0.393 18223
2930 1 7 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.429 -1.099 18223
2931 1 7 . 1 1 44 44 VAL H H 35 8.332 8.332 8.764 -0.432 18223
2932 1 7 . 1 1 46 46 SER N N 37 113.762 113.762 113.722 0.040 18223
2933 1 7 . 1 1 46 46 SER CA C 37 61.130 61.130 61.359 -0.229 18223
2934 1 7 . 1 1 46 46 SER CB C 37 62.789 62.789 62.896 -0.107 18223
2935 1 7 . 1 1 46 46 SER H H 37 7.924 7.924 8.095 -0.171 18223
2936 1 7 . 1 1 47 47 LEU N N 38 124.450 124.450 121.373 3.077 18223
2937 1 7 . 1 1 47 47 LEU C C 38 176.440 176.440 178.587 -2.147 18223
2938 1 7 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.654 -0.293 18223
2939 1 7 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.894 -0.089 18223
2940 1 7 . 1 1 47 47 LEU H H 38 8.108 8.108 7.498 0.610 18223
2941 1 7 . 1 1 48 48 ALA N N 39 121.290 121.290 120.713 0.577 18223
2942 1 7 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.024 -0.414 18223
2943 1 7 . 1 1 48 48 ALA H H 39 8.250 8.250 7.844 0.406 18223
2944 1 7 . 1 1 49 49 ALA N N 40 120.070 120.070 119.593 0.477 18223
2945 1 7 . 1 1 49 49 ALA C C 40 179.910 179.910 179.650 0.260 18223
2946 1 7 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.929 0.181 18223
2947 1 7 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.305 -0.224 18223
2948 1 7 . 1 1 49 49 ALA H H 40 8.145 8.145 8.386 -0.241 18223
2949 1 7 . 1 1 50 50 GLY N N 41 104.977 104.977 107.617 -2.640 18223
2950 1 7 . 1 1 50 50 GLY C C 41 174.870 174.870 175.854 -0.984 18223
2951 1 7 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.752 0.173 18223
2952 1 7 . 1 1 50 50 GLY H H 41 8.103 8.103 7.945 0.158 18223
2953 1 7 . 1 1 51 51 LEU N N 42 122.431 122.431 122.302 0.129 18223
2954 1 7 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.100 -0.770 18223
2955 1 7 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.072 -0.266 18223
2956 1 7 . 1 1 51 51 LEU H H 42 7.796 7.796 7.757 0.039 18223
2957 1 7 . 1 1 52 52 LEU N N 43 119.483 119.483 119.821 -0.338 18223
2958 1 7 . 1 1 52 52 LEU C C 43 179.910 179.910 179.542 0.368 18223
2959 1 7 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.386 -0.616 18223
2960 1 7 . 1 1 52 52 LEU CB C 43 41.372 41.372 40.989 0.383 18223
2961 1 7 . 1 1 52 52 LEU H H 43 7.862 7.862 7.967 -0.105 18223
2962 1 7 . 1 1 53 53 PHE N N 44 117.117 117.117 118.012 -0.895 18223
2963 1 7 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.212 0.159 18223
2964 1 7 . 1 1 53 53 PHE C C 44 178.530 178.530 177.883 0.647 18223
2965 1 7 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.339 -1.189 18223
2966 1 7 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.649 -0.521 18223
2967 1 7 . 1 1 53 53 PHE H H 44 8.343 8.343 8.496 -0.153 18223
2968 1 7 . 1 1 54 54 GLY N N 45 107.605 107.605 107.913 -0.308 18223
2969 1 7 . 1 1 54 54 GLY C C 45 176.400 176.400 175.470 0.930 18223
2970 1 7 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.590 -0.840 18223
2971 1 7 . 1 1 54 54 GLY H H 45 8.150 8.150 7.988 0.162 18223
2972 1 7 . 1 1 55 55 SER N N 46 117.713 117.713 118.440 -0.727 18223
2973 1 7 . 1 1 55 55 SER C C 46 176.130 176.130 176.693 -0.563 18223
2974 1 7 . 1 1 55 55 SER CA C 46 61.240 61.240 61.597 -0.357 18223
2975 1 7 . 1 1 55 55 SER CB C 46 63.294 63.294 63.003 0.291 18223
2976 1 7 . 1 1 55 55 SER H H 46 7.942 7.942 7.913 0.029 18223
2977 1 7 . 1 1 56 56 LEU N N 47 121.618 121.618 121.950 -0.332 18223
2978 1 7 . 1 1 56 56 LEU C C 47 178.510 178.510 178.289 0.221 18223
2979 1 7 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.265 -1.505 18223
2980 1 7 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.476 -0.320 18223
2981 1 7 . 1 1 56 56 LEU H H 47 7.910 7.910 7.864 0.046 18223
2982 1 7 . 1 1 57 57 ALA N N 48 121.557 121.557 120.448 1.109 18223
2983 1 7 . 1 1 57 57 ALA C C 48 180.040 180.040 179.846 0.194 18223
2984 1 7 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.901 -0.351 18223
2985 1 7 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.256 -0.175 18223
2986 1 7 . 1 1 57 57 ALA H H 48 7.878 7.878 8.125 -0.247 18223
2987 1 7 . 1 1 58 58 GLY N N 49 106.435 106.435 106.995 -0.560 18223
2988 1 7 . 1 1 58 58 GLY C C 49 175.740 175.740 174.954 0.786 18223
2989 1 7 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.462 -0.182 18223
2990 1 7 . 1 1 58 58 GLY H H 49 8.085 8.085 8.038 0.047 18223
2991 1 7 . 1 1 59 59 LEU N N 50 121.230 121.230 122.463 -1.233 18223
2992 1 7 . 1 1 59 59 LEU C C 50 178.390 178.390 179.926 -1.536 18223
2993 1 7 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.111 -1.681 18223
2994 1 7 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.263 0.398 18223
2995 1 7 . 1 1 59 59 LEU H H 50 7.770 7.770 7.777 -0.007 18223
2996 1 7 . 1 1 60 60 GLY N N 51 106.525 106.525 105.804 0.721 18223
2997 1 7 . 1 1 60 60 GLY C C 51 174.820 174.820 175.577 -0.757 18223
2998 1 7 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.896 -0.606 18223
2999 1 7 . 1 1 60 60 GLY H H 51 8.090 8.090 7.698 0.392 18223
3000 1 7 . 1 1 61 61 ALA N N 52 122.773 122.773 125.057 -2.284 18223
3001 1 7 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.989 0.113 18223
3002 1 7 . 1 1 61 61 ALA C C 52 178.320 178.320 176.273 2.047 18223
3003 1 7 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.619 -0.199 18223
3004 1 7 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.487 -1.045 18223
3005 1 7 . 1 1 61 61 ALA H H 52 7.819 7.819 7.591 0.228 18223
3006 1 7 . 1 1 62 62 TYR N N 53 118.481 118.481 110.864 7.617 18223
3007 1 7 . 1 1 62 62 TYR C C 53 176.390 176.390 173.553 2.837 18223
3008 1 7 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.252 2.748 18223
3009 1 7 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.745 1.599 18223
3010 1 7 . 1 1 62 62 TYR H H 53 7.794 7.794 7.116 0.678 18223
3011 1 7 . 1 1 63 63 GLN N N 54 120.770 120.770 122.737 -1.967 18223
3012 1 7 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.689 -0.129 18223
3013 1 7 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.605 -2.957 18223
3014 1 7 . 1 1 63 63 GLN H H 54 8.033 8.033 8.232 -0.199 18223
3015 1 7 . 1 1 64 64 LEU N N 55 121.847 121.847 119.742 2.105 18223
3016 1 7 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.419 -0.249 18223
3017 1 7 . 1 1 64 64 LEU C C 55 177.790 177.790 175.134 2.656 18223
3018 1 7 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.654 0.356 18223
3019 1 7 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.636 -0.831 18223
3020 1 7 . 1 1 64 64 LEU H H 55 8.018 8.018 7.897 0.120 18223
3021 1 7 . 1 1 65 65 SER N N 56 113.937 113.937 115.932 -1.995 18223
3022 1 7 . 1 1 65 65 SER C C 56 174.710 174.710 173.012 1.698 18223
3023 1 7 . 1 1 65 65 SER CA C 56 59.050 59.050 59.089 -0.039 18223
3024 1 7 . 1 1 65 65 SER CB C 56 63.554 63.554 63.448 0.106 18223
3025 1 7 . 1 1 65 65 SER H H 56 7.892 7.892 8.332 -0.440 18223
3026 1 7 . 1 1 66 66 GLN N N 57 120.154 120.154 119.397 0.757 18223
3027 1 7 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.390 -0.147 18223
3028 1 7 . 1 1 66 66 GLN C C 57 175.760 175.760 174.113 1.647 18223
3029 1 7 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.305 -0.655 18223
3030 1 7 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.292 -0.744 18223
3031 1 7 . 1 1 66 66 GLN H H 57 7.625 7.625 8.251 -0.626 18223
3032 1 7 . 1 1 67 67 ASP N N 58 120.090 120.090 118.629 1.461 18223
3033 1 7 . 1 1 67 67 ASP CA C 58 52.000 52.000 52.962 -0.962 18223
3034 1 7 . 1 1 67 67 ASP H H 58 8.000 8.000 8.168 -0.168 18223
3035 1 7 . 1 1 68 68 PRO C C 59 177.890 177.890 178.413 -0.523 18223
3036 1 7 . 1 1 69 69 ARG N N 60 117.806 117.806 119.694 -1.888 18223
3037 1 7 . 1 1 69 69 ARG C C 60 178.330 178.330 178.475 -0.145 18223
3038 1 7 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.511 -1.616 18223
3039 1 7 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.467 -0.265 18223
3040 1 7 . 1 1 69 69 ARG H H 60 8.402 8.402 8.675 -0.273 18223
3041 1 7 . 1 1 70 70 ASN N N 61 116.920 116.920 116.457 0.463 18223
3042 1 7 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.293 -0.993 18223
3043 1 7 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.039 0.028 18223
3044 1 7 . 1 1 70 70 ASN H H 61 7.930 7.930 8.511 -0.581 18223
3045 1 7 . 1 1 71 71 VAL N N 62 120.795 120.795 121.356 -0.561 18223
3046 1 7 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.644 -0.717 18223
3047 1 7 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.866 -0.872 18223
3048 1 7 . 1 1 71 71 VAL H H 62 7.783 7.783 7.615 0.168 18223
3049 1 7 . 1 1 72 72 TRP N N 63 120.550 120.550 120.336 0.214 18223
3050 1 7 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.271 0.146 18223
3051 1 7 . 1 1 72 72 TRP C C 63 177.850 177.850 178.481 -0.631 18223
3052 1 7 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.322 -2.192 18223
3053 1 7 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.154 0.159 18223
3054 1 7 . 1 1 72 72 TRP H H 63 7.760 7.760 8.325 -0.565 18223
3055 1 7 . 1 1 73 73 VAL N N 64 117.896 117.896 118.258 -0.362 18223
3056 1 7 . 1 1 73 73 VAL C C 64 179.270 179.270 178.362 0.908 18223
3057 1 7 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.078 0.452 18223
3058 1 7 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.901 0.407 18223
3059 1 7 . 1 1 73 73 VAL H H 64 7.905 7.905 8.274 -0.369 18223
3060 1 7 . 1 1 74 74 PHE N N 65 122.086 122.086 119.508 2.578 18223
3061 1 7 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.608 -0.383 18223
3062 1 7 . 1 1 74 74 PHE C C 65 177.760 177.760 178.369 -0.609 18223
3063 1 7 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.338 -0.048 18223
3064 1 7 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.735 -0.175 18223
3065 1 7 . 1 1 74 74 PHE H H 65 7.857 7.857 8.215 -0.358 18223
3066 1 7 . 1 1 75 75 LEU N N 66 121.304 121.304 121.776 -0.472 18223
3067 1 7 . 1 1 75 75 LEU C C 66 179.060 179.060 178.520 0.540 18223
3068 1 7 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.753 0.047 18223
3069 1 7 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.411 -0.111 18223
3070 1 7 . 1 1 75 75 LEU H H 66 8.326 8.326 8.296 0.030 18223
3071 1 7 . 1 1 76 76 ALA N N 67 120.420 120.420 120.560 -0.140 18223
3072 1 7 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.893 0.503 18223
3073 1 7 . 1 1 76 76 ALA C C 67 180.180 180.180 179.180 1.000 18223
3074 1 7 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.476 -0.886 18223
3075 1 7 . 1 1 76 76 ALA H H 67 8.283 8.283 8.256 0.027 18223
3076 1 7 . 1 1 77 77 THR N N 68 111.152 111.152 113.355 -2.203 18223
3077 1 7 . 1 1 77 77 THR C C 68 175.830 175.830 177.052 -1.222 18223
3078 1 7 . 1 1 77 77 THR CA C 68 64.159 64.159 65.722 -1.562 18223
3079 1 7 . 1 1 77 77 THR CB C 68 69.711 69.711 67.909 1.802 18223
3080 1 7 . 1 1 77 77 THR H H 68 7.951 7.951 8.108 -0.157 18223
3081 1 7 . 1 1 78 78 SER N N 69 117.883 117.883 118.290 -0.407 18223
3082 1 7 . 1 1 78 78 SER C C 69 176.000 176.000 176.804 -0.804 18223
3083 1 7 . 1 1 78 78 SER CA C 69 60.730 60.730 62.150 -1.420 18223
3084 1 7 . 1 1 78 78 SER H H 69 7.839 7.839 8.137 -0.298 18223
3085 1 7 . 1 1 79 79 GLY N N 70 111.078 111.078 110.200 0.878 18223
3086 1 7 . 1 1 79 79 GLY C C 70 175.830 175.830 176.264 -0.434 18223
3087 1 7 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.611 -0.901 18223
3088 1 7 . 1 1 79 79 GLY H H 70 8.269 8.269 8.497 -0.228 18223
3089 1 7 . 1 1 80 80 THR N N 71 117.727 117.727 119.191 -1.464 18223
3090 1 7 . 1 1 80 80 THR C C 71 176.110 176.110 176.544 -0.434 18223
3091 1 7 . 1 1 80 80 THR CA C 71 66.178 66.178 66.473 -0.295 18223
3092 1 7 . 1 1 80 80 THR CB C 71 68.630 68.630 68.680 -0.049 18223
3093 1 7 . 1 1 80 80 THR H H 71 7.823 7.823 7.911 -0.088 18223
3094 1 7 . 1 1 81 81 LEU N N 72 121.422 121.422 122.569 -1.147 18223
3095 1 7 . 1 1 81 81 LEU C C 72 178.620 178.620 178.713 -0.093 18223
3096 1 7 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.265 -0.575 18223
3097 1 7 . 1 1 81 81 LEU H H 72 7.846 7.846 8.106 -0.260 18223
3098 1 7 . 1 1 82 82 ALA N N 73 121.160 121.160 119.783 1.377 18223
3099 1 7 . 1 1 82 82 ALA C C 73 180.440 180.440 179.008 1.432 18223
3100 1 7 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.439 0.741 18223
3101 1 7 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.706 -0.841 18223
3102 1 7 . 1 1 82 82 ALA H H 73 8.050 8.050 8.525 -0.475 18223
3103 1 7 . 1 1 83 83 GLY N N 74 106.017 106.017 106.754 -0.737 18223
3104 1 7 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.518 0.492 18223
3105 1 7 . 1 1 83 83 GLY H H 74 8.132 8.132 7.764 0.368 18223
3106 1 7 . 1 1 84 84 ILE N N 75 122.030 122.030 120.676 1.354 18223
3107 1 7 . 1 1 84 84 ILE C C 75 178.530 178.530 176.624 1.906 18223
3108 1 7 . 1 1 84 84 ILE CA C 75 64.730 64.730 64.108 0.622 18223
3109 1 7 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.474 -0.707 18223
3110 1 7 . 1 1 84 84 ILE H H 75 7.930 7.930 7.978 -0.048 18223
3111 1 7 . 1 1 85 85 MET N N 76 117.920 117.920 113.705 4.215 18223
3112 1 7 . 1 1 85 85 MET CA C 76 57.810 57.810 54.984 2.826 18223
3113 1 7 . 1 1 85 85 MET H H 76 8.140 8.140 7.682 0.458 18223
3114 1 7 . 1 1 86 86 GLY N N 77 109.118 109.118 108.580 0.538 18223
3115 1 7 . 1 1 86 86 GLY CA C 77 45.771 45.771 45.093 0.678 18223
3116 1 7 . 1 1 86 86 GLY H H 77 7.920 7.920 8.325 -0.405 18223
3117 1 7 . 1 1 87 87 MET N N 78 119.220 119.220 121.241 -2.021 18223
3118 1 7 . 1 1 87 87 MET CA C 78 55.810 55.810 57.273 -1.463 18223
3119 1 7 . 1 1 87 87 MET H H 78 7.950 7.950 8.570 -0.620 18223
3120 1 7 . 1 1 88 88 ARG N N 79 120.090 120.090 118.840 1.250 18223
3121 1 7 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.248 -3.248 18223
3122 1 7 . 1 1 88 88 ARG H H 79 8.000 8.000 7.707 0.293 18223
3123 1 7 . 1 1 90 90 TYR C C 81 176.310 176.310 175.767 0.543 18223
3124 1 7 . 1 1 91 91 HIS N N 82 118.270 118.270 119.629 -1.359 18223
3125 1 7 . 1 1 91 91 HIS C C 82 174.940 174.940 174.604 0.336 18223
3126 1 7 . 1 1 91 91 HIS CA C 82 55.850 55.850 55.154 0.696 18223
3127 1 7 . 1 1 91 91 HIS H H 82 8.130 8.130 7.442 0.688 18223
3128 1 7 . 1 1 92 92 SER N N 83 115.818 115.818 113.445 2.373 18223
3129 1 7 . 1 1 92 92 SER C C 83 175.470 175.470 173.128 2.342 18223
3130 1 7 . 1 1 92 92 SER CA C 83 59.430 59.430 58.326 1.104 18223
3131 1 7 . 1 1 92 92 SER CB C 83 63.870 63.870 65.310 -1.440 18223
3132 1 7 . 1 1 92 92 SER H H 83 8.007 8.007 7.964 0.043 18223
3133 1 7 . 1 1 93 93 GLY N N 84 110.518 110.518 108.822 1.696 18223
3134 1 7 . 1 1 93 93 GLY C C 84 174.740 174.740 175.264 -0.524 18223
3135 1 7 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.967 0.963 18223
3136 1 7 . 1 1 93 93 GLY H H 84 8.099 8.099 8.314 -0.215 18223
3137 1 7 . 1 1 94 94 LYS N N 85 120.088 120.088 121.218 -1.130 18223
3138 1 7 . 1 1 94 94 LYS CA C 85 56.443 56.443 58.413 -1.970 18223
3139 1 7 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.709 -0.350 18223
3140 1 7 . 1 1 94 94 LYS H H 85 7.810 7.810 8.160 -0.350 18223
3141 1 7 . 1 1 95 95 PHE N N 86 118.766 118.766 120.051 -1.285 18223
3142 1 7 . 1 1 95 95 PHE CA C 86 57.810 57.810 56.724 1.086 18223
3143 1 7 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.601 0.680 18223
3144 1 7 . 1 1 95 95 PHE H H 86 7.911 7.911 7.896 0.015 18223
3145 1 7 . 1 1 96 96 MET N N 87 120.600 120.600 122.743 -2.143 18223
3146 1 7 . 1 1 96 96 MET CA C 87 53.150 53.150 53.702 -0.552 18223
3147 1 7 . 1 1 96 96 MET H H 87 7.670 7.670 7.677 -0.007 18223
3148 1 7 . 1 1 97 97 PRO C C 88 176.820 176.820 176.230 0.590 18223
3149 1 7 . 1 1 98 98 ALA N N 89 124.300 124.300 121.580 2.720 18223
3150 1 7 . 1 1 98 98 ALA C C 89 179.480 179.480 176.861 2.619 18223
3151 1 7 . 1 1 98 98 ALA CA C 89 53.390 53.390 53.076 0.314 18223
3152 1 7 . 1 1 98 98 ALA CB C 89 18.802 18.802 17.729 1.073 18223
3153 1 7 . 1 1 98 98 ALA H H 89 8.302 8.302 8.371 -0.069 18223
3154 1 7 . 1 1 99 99 GLY N N 90 107.011 107.011 102.428 4.583 18223
3155 1 7 . 1 1 99 99 GLY C C 90 174.920 174.920 174.157 0.763 18223
3156 1 7 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.916 0.964 18223
3157 1 7 . 1 1 99 99 GLY H H 90 8.341 8.341 7.645 0.696 18223
3158 1 7 . 1 1 100 100 LEU N N 91 120.873 120.873 124.429 -3.556 18223
3159 1 7 . 1 1 100 100 LEU C C 91 177.250 177.250 177.085 0.165 18223
3160 1 7 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.316 -2.216 18223
3161 1 7 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.184 -0.090 18223
3162 1 7 . 1 1 100 100 LEU H H 91 7.732 7.732 7.572 0.160 18223
3163 1 7 . 1 1 101 101 ILE N N 92 118.245 118.245 119.627 -1.382 18223
3164 1 7 . 1 1 101 101 ILE C C 92 177.130 177.130 176.836 0.294 18223
3165 1 7 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.435 -3.521 18223
3166 1 7 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.420 0.708 18223
3167 1 7 . 1 1 101 101 ILE H H 92 7.668 7.668 8.434 -0.766 18223
3168 1 7 . 1 1 102 102 ALA N N 93 127.523 127.523 121.103 6.420 18223
3169 1 7 . 1 1 102 102 ALA C C 93 179.370 179.370 179.727 -0.357 18223
3170 1 7 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.276 -2.438 18223
3171 1 7 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.929 1.090 18223
3172 1 7 . 1 1 102 102 ALA H H 93 8.110 8.110 8.190 -0.080 18223
3173 1 7 . 1 1 103 103 GLY N N 94 109.013 109.013 107.081 1.932 18223
3174 1 7 . 1 1 103 103 GLY C C 94 175.290 175.290 175.958 -0.668 18223
3175 1 7 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.902 -1.482 18223
3176 1 7 . 1 1 103 103 GLY H H 94 8.180 8.180 8.022 0.158 18223
3177 1 7 . 1 1 104 104 ALA N N 95 123.130 123.130 124.600 -1.470 18223
3178 1 7 . 1 1 104 104 ALA C C 95 180.040 180.040 179.857 0.183 18223
3179 1 7 . 1 1 104 104 ALA H H 95 8.230 8.230 8.473 -0.243 18223
3180 1 7 . 1 1 105 105 SER N N 96 114.606 114.606 114.374 0.232 18223
3181 1 7 . 1 1 105 105 SER C C 96 176.140 176.140 176.706 -0.566 18223
3182 1 7 . 1 1 105 105 SER H H 96 7.915 7.915 8.269 -0.354 18223
3183 1 7 . 1 1 106 106 LEU N N 97 122.651 122.651 122.740 -0.089 18223
3184 1 7 . 1 1 106 106 LEU C C 97 179.140 179.140 178.620 0.520 18223
3185 1 7 . 1 1 106 106 LEU H H 97 8.066 8.066 8.131 -0.065 18223
3186 1 7 . 1 1 108 108 MET N N 99 118.381 118.381 119.928 -1.547 18223
3187 1 7 . 1 1 108 108 MET C C 99 178.830 178.830 178.029 0.801 18223
3188 1 7 . 1 1 108 108 MET CA C 99 58.730 58.730 59.581 -0.851 18223
3189 1 7 . 1 1 108 108 MET H H 99 7.682 7.682 8.268 -0.586 18223
3190 1 7 . 1 1 109 109 VAL N N 100 118.713 118.713 119.390 -0.677 18223
3191 1 7 . 1 1 109 109 VAL C C 100 177.930 177.930 177.492 0.438 18223
3192 1 7 . 1 1 109 109 VAL CA C 100 66.230 66.230 67.510 -1.280 18223
3193 1 7 . 1 1 109 109 VAL H H 100 7.821 7.821 8.112 -0.291 18223
3194 1 7 . 1 1 110 110 ALA N N 101 122.160 122.160 121.707 0.453 18223
3195 1 7 . 1 1 110 110 ALA C C 101 180.470 180.470 179.357 1.113 18223
3196 1 7 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.539 -0.199 18223
3197 1 7 . 1 1 110 110 ALA H H 101 8.110 8.110 8.152 -0.042 18223
3198 1 7 . 1 1 111 111 LYS N N 102 120.260 120.260 118.772 1.488 18223
3199 1 7 . 1 1 111 111 LYS C C 102 177.490 177.490 178.927 -1.437 18223
3200 1 7 . 1 1 111 111 LYS CA C 102 57.490 57.490 58.875 -1.385 18223
3201 1 7 . 1 1 111 111 LYS H H 102 7.870 7.870 7.754 0.116 18223
3202 1 7 . 1 1 112 112 VAL N N 103 120.410 120.410 117.386 3.024 18223
3203 1 7 . 1 1 112 112 VAL C C 103 176.240 176.240 177.887 -1.647 18223
3204 1 7 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.283 0.437 18223
3205 1 7 . 1 1 112 112 VAL H H 103 7.990 7.990 8.151 -0.161 18223
3206 1 7 . 1 1 113 113 GLY N N 104 108.926 108.926 106.892 2.034 18223
3207 1 7 . 1 1 113 113 GLY C C 104 175.150 175.150 175.204 -0.054 18223
3208 1 7 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.722 1.928 18223
3209 1 7 . 1 1 113 113 GLY H H 104 8.477 8.477 7.747 0.730 18223
3210 1 7 . 1 1 114 114 VAL N N 105 119.350 119.350 120.512 -1.162 18223
3211 1 7 . 1 1 114 114 VAL C C 105 178.390 178.390 175.820 2.570 18223
3212 1 7 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.162 3.978 18223
3213 1 7 . 1 1 114 114 VAL H H 105 8.310 8.310 8.160 0.150 18223
3214 1 7 . 1 1 115 115 SER N N 106 115.964 115.964 118.056 -2.092 18223
3215 1 7 . 1 1 115 115 SER C C 106 177.250 177.250 173.743 3.507 18223
3216 1 7 . 1 1 115 115 SER CA C 106 61.130 61.130 59.789 1.341 18223
3217 1 7 . 1 1 115 115 SER H H 106 7.815 7.815 8.403 -0.588 18223
3218 1 7 . 1 1 116 116 MET N N 107 120.190 120.190 126.398 -6.208 18223
3219 1 7 . 1 1 116 116 MET C C 107 177.190 177.190 174.372 2.818 18223
3220 1 7 . 1 1 116 116 MET CA C 107 57.450 57.450 55.400 2.050 18223
3221 1 7 . 1 1 116 116 MET H H 107 7.820 7.820 8.283 -0.463 18223
3222 1 7 . 1 1 117 117 PHE N N 108 117.325 117.325 119.078 -1.753 18223
3223 1 7 . 1 1 117 117 PHE C C 108 175.740 175.740 173.929 1.811 18223
3224 1 7 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.860 1.010 18223
3225 1 7 . 1 1 117 117 PHE H H 108 7.735 7.735 8.010 -0.275 18223
3226 1 7 . 1 1 118 118 ASN N N 109 118.878 118.878 121.956 -3.078 18223
3227 1 7 . 1 1 118 118 ASN C C 109 174.830 174.830 175.132 -0.302 18223
3228 1 7 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.771 -0.711 18223
3229 1 7 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.223 -0.158 18223
3230 1 7 . 1 1 118 118 ASN H H 109 7.907 7.907 8.669 -0.762 18223
3231 1 7 . 1 1 119 119 ARG N N 110 122.870 122.870 121.135 1.735 18223
3232 1 7 . 1 1 119 119 ARG CA C 110 54.150 54.150 56.139 -1.989 18223
3233 1 7 . 1 1 119 119 ARG H H 110 7.894 7.894 8.381 -0.487 18223
3234 1 7 . 1 1 120 120 PRO C C 111 176.590 176.590 176.117 0.473 18223
3235 1 8 . 1 1 11 11 GLN C C 2 176.170 176.170 174.070 2.100 18223
3236 1 8 . 1 1 12 12 ASP N N 3 120.369 120.369 121.834 -1.465 18223
3237 1 8 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.854 -0.704 18223
3238 1 8 . 1 1 12 12 ASP C C 3 176.980 176.980 175.544 1.436 18223
3239 1 8 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.824 1.013 18223
3240 1 8 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.512 -1.716 18223
3241 1 8 . 1 1 12 12 ASP H H 3 8.275 8.275 8.289 -0.014 18223
3242 1 8 . 1 1 13 13 THR N N 4 114.220 114.220 115.906 -1.686 18223
3243 1 8 . 1 1 13 13 THR HA H 4 4.636 4.636 4.133 0.503 18223
3244 1 8 . 1 1 13 13 THR C C 4 175.530 175.530 174.220 1.310 18223
3245 1 8 . 1 1 13 13 THR CA C 4 62.790 62.790 62.187 0.603 18223
3246 1 8 . 1 1 13 13 THR CB C 4 69.134 69.134 69.332 -0.198 18223
3247 1 8 . 1 1 13 13 THR H H 4 7.990 7.990 8.037 -0.047 18223
3248 1 8 . 1 1 14 14 SER N N 5 117.664 117.664 116.738 0.926 18223
3249 1 8 . 1 1 14 14 SER HA H 5 4.296 4.296 4.512 -0.216 18223
3250 1 8 . 1 1 14 14 SER C C 5 175.200 175.200 173.931 1.269 18223
3251 1 8 . 1 1 14 14 SER CA C 5 59.443 59.443 58.679 0.764 18223
3252 1 8 . 1 1 14 14 SER CB C 5 63.438 63.438 62.317 1.121 18223
3253 1 8 . 1 1 14 14 SER H H 5 8.255 8.255 8.611 -0.356 18223
3254 1 8 . 1 1 15 15 SER N N 6 117.093 117.093 116.469 0.624 18223
3255 1 8 . 1 1 15 15 SER HA H 6 4.317 4.317 4.493 -0.176 18223
3256 1 8 . 1 1 15 15 SER C C 6 174.770 174.770 174.439 0.331 18223
3257 1 8 . 1 1 15 15 SER CA C 6 58.737 58.737 58.565 0.172 18223
3258 1 8 . 1 1 15 15 SER CB C 6 63.656 63.656 63.334 0.322 18223
3259 1 8 . 1 1 15 15 SER H H 6 8.050 8.050 8.450 -0.400 18223
3260 1 8 . 1 1 16 16 VAL N N 7 119.995 119.995 118.094 1.901 18223
3261 1 8 . 1 1 16 16 VAL C C 7 176.150 176.150 174.139 2.011 18223
3262 1 8 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.488 0.255 18223
3263 1 8 . 1 1 16 16 VAL CB C 7 32.215 32.215 34.341 -2.126 18223
3264 1 8 . 1 1 16 16 VAL H H 7 7.775 7.775 7.462 0.313 18223
3265 1 8 . 1 1 17 17 VAL N N 8 121.090 121.090 116.672 4.418 18223
3266 1 8 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.156 1.754 18223
3267 1 8 . 1 1 17 17 VAL H H 8 7.730 7.730 7.495 0.235 18223
3268 1 8 . 1 1 18 18 PRO C C 9 178.410 178.410 177.674 0.736 18223
3269 1 8 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.374 1.136 18223
3270 1 8 . 1 1 19 19 LEU N N 10 121.410 121.410 122.101 -0.691 18223
3271 1 8 . 1 1 19 19 LEU C C 10 178.910 178.910 178.921 -0.011 18223
3272 1 8 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.883 -3.033 18223
3273 1 8 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.828 -0.383 18223
3274 1 8 . 1 1 19 19 LEU H H 10 7.930 7.930 8.698 -0.768 18223
3275 1 8 . 1 1 20 20 HIS N N 11 116.900 116.900 117.303 -0.403 18223
3276 1 8 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.377 0.254 18223
3277 1 8 . 1 1 20 20 HIS C C 11 174.990 174.990 178.011 -3.021 18223
3278 1 8 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.219 -3.219 18223
3279 1 8 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.632 -1.672 18223
3280 1 8 . 1 1 20 20 HIS H H 11 8.384 8.384 8.314 0.070 18223
3281 1 8 . 1 1 21 21 TRP C C 12 177.660 177.660 179.096 -1.436 18223
3282 1 8 . 1 1 22 22 PHE N N 13 119.238 119.238 118.325 0.913 18223
3283 1 8 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.141 0.147 18223
3284 1 8 . 1 1 22 22 PHE C C 13 177.410 177.410 178.112 -0.702 18223
3285 1 8 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.886 -2.188 18223
3286 1 8 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.743 -0.399 18223
3287 1 8 . 1 1 22 22 PHE H H 13 7.883 7.883 9.146 -1.263 18223
3288 1 8 . 1 1 23 23 GLY N N 14 107.209 107.209 106.183 1.026 18223
3289 1 8 . 1 1 23 23 GLY C C 14 176.220 176.220 176.109 0.111 18223
3290 1 8 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.667 -0.587 18223
3291 1 8 . 1 1 23 23 GLY H H 14 7.911 7.911 8.455 -0.544 18223
3292 1 8 . 1 1 24 24 PHE N N 15 121.880 121.880 122.636 -0.756 18223
3293 1 8 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.281 0.132 18223
3294 1 8 . 1 1 24 24 PHE C C 15 177.840 177.840 178.025 -0.185 18223
3295 1 8 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.645 -0.555 18223
3296 1 8 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.836 0.013 18223
3297 1 8 . 1 1 24 24 PHE H H 15 7.900 7.900 7.891 0.009 18223
3298 1 8 . 1 1 25 25 GLY N N 16 107.640 107.640 107.679 -0.039 18223
3299 1 8 . 1 1 25 25 GLY C C 16 174.910 174.910 175.825 -0.915 18223
3300 1 8 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.002 0.328 18223
3301 1 8 . 1 1 25 25 GLY H H 16 8.320 8.320 8.781 -0.461 18223
3302 1 8 . 1 1 26 26 TYR N N 17 121.804 121.804 123.712 -1.908 18223
3303 1 8 . 1 1 26 26 TYR C C 17 177.120 177.120 177.314 -0.194 18223
3304 1 8 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.657 0.012 18223
3305 1 8 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.617 -0.216 18223
3306 1 8 . 1 1 26 26 TYR H H 17 8.365 8.365 8.585 -0.220 18223
3307 1 8 . 1 1 27 27 ALA N N 18 120.785 120.785 120.463 0.322 18223
3308 1 8 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.992 -0.109 18223
3309 1 8 . 1 1 27 27 ALA C C 18 178.790 178.790 179.290 -0.500 18223
3310 1 8 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.195 -0.155 18223
3311 1 8 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.924 -0.202 18223
3312 1 8 . 1 1 27 27 ALA H H 18 7.949 7.949 8.323 -0.374 18223
3313 1 8 . 1 1 28 28 ALA N N 19 120.210 120.210 120.644 -0.434 18223
3314 1 8 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.551 0.299 18223
3315 1 8 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.323 -0.602 18223
3316 1 8 . 1 1 28 28 ALA H H 19 7.870 7.870 7.929 -0.059 18223
3317 1 8 . 1 1 29 29 LEU N N 20 120.090 120.090 120.587 -0.497 18223
3318 1 8 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.185 -6.186 18223
3319 1 8 . 1 1 29 29 LEU H H 20 8.000 8.000 7.741 0.259 18223
3320 1 8 . 1 1 30 30 VAL N N 21 118.299 118.299 119.458 -1.159 18223
3321 1 8 . 1 1 30 30 VAL C C 21 178.920 178.920 178.237 0.683 18223
3322 1 8 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.311 -0.691 18223
3323 1 8 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.860 0.417 18223
3324 1 8 . 1 1 30 30 VAL H H 21 7.947 7.947 8.042 -0.095 18223
3325 1 8 . 1 1 31 31 ALA N N 22 122.600 122.600 120.308 2.292 18223
3326 1 8 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.991 0.182 18223
3327 1 8 . 1 1 31 31 ALA C C 22 179.540 179.540 179.743 -0.203 18223
3328 1 8 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.239 -1.031 18223
3329 1 8 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.050 0.392 18223
3330 1 8 . 1 1 31 31 ALA H H 22 7.819 7.819 8.153 -0.334 18223
3331 1 8 . 1 1 32 32 SER N N 23 113.502 113.502 115.988 -2.486 18223
3332 1 8 . 1 1 32 32 SER HA H 23 4.015 4.015 4.047 -0.032 18223
3333 1 8 . 1 1 32 32 SER C C 23 175.890 175.890 176.876 -0.986 18223
3334 1 8 . 1 1 32 32 SER CA C 23 60.490 60.490 62.750 -2.260 18223
3335 1 8 . 1 1 32 32 SER CB C 23 63.510 63.510 62.858 0.652 18223
3336 1 8 . 1 1 32 32 SER H H 23 7.826 7.826 8.218 -0.392 18223
3337 1 8 . 1 1 33 33 GLY N N 24 109.939 109.939 108.530 1.409 18223
3338 1 8 . 1 1 33 33 GLY C C 24 176.180 176.180 175.366 0.814 18223
3339 1 8 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.765 -0.115 18223
3340 1 8 . 1 1 33 33 GLY H H 24 7.985 7.985 8.495 -0.510 18223
3341 1 8 . 1 1 34 34 GLY N N 25 109.396 109.396 110.014 -0.618 18223
3342 1 8 . 1 1 34 34 GLY C C 25 175.330 175.330 175.417 -0.087 18223
3343 1 8 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.498 -0.329 18223
3344 1 8 . 1 1 34 34 GLY H H 25 8.235 8.235 7.931 0.304 18223
3345 1 8 . 1 1 35 35 ILE N N 26 120.211 120.211 122.945 -2.734 18223
3346 1 8 . 1 1 35 35 ILE C C 26 177.400 177.400 177.952 -0.552 18223
3347 1 8 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.289 -0.459 18223
3348 1 8 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.401 -0.562 18223
3349 1 8 . 1 1 35 35 ILE H H 26 7.998 7.998 7.991 0.007 18223
3350 1 8 . 1 1 36 36 ILE N N 27 120.051 120.051 118.814 1.237 18223
3351 1 8 . 1 1 36 36 ILE C C 27 177.900 177.900 177.657 0.243 18223
3352 1 8 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.863 -1.013 18223
3353 1 8 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.223 -0.393 18223
3354 1 8 . 1 1 36 36 ILE H H 27 7.998 7.998 8.847 -0.849 18223
3355 1 8 . 1 1 37 37 GLY N N 28 107.531 107.531 107.739 -0.208 18223
3356 1 8 . 1 1 37 37 GLY C C 28 176.120 176.120 176.307 -0.187 18223
3357 1 8 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.498 0.301 18223
3358 1 8 . 1 1 37 37 GLY H H 28 7.983 7.983 7.477 0.506 18223
3359 1 8 . 1 1 38 38 TYR N N 29 120.900 120.900 122.417 -1.517 18223
3360 1 8 . 1 1 38 38 TYR C C 29 176.530 176.530 177.504 -0.974 18223
3361 1 8 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.172 -0.442 18223
3362 1 8 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.650 -0.162 18223
3363 1 8 . 1 1 38 38 TYR H H 29 7.726 7.726 8.155 -0.429 18223
3364 1 8 . 1 1 39 39 VAL N N 30 117.958 117.958 115.337 2.621 18223
3365 1 8 . 1 1 39 39 VAL C C 30 177.600 177.600 176.790 0.810 18223
3366 1 8 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.518 0.857 18223
3367 1 8 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.242 -0.821 18223
3368 1 8 . 1 1 39 39 VAL H H 30 7.849 7.849 8.114 -0.265 18223
3369 1 8 . 1 1 40 40 LYS N N 31 120.116 120.116 116.237 3.879 18223
3370 1 8 . 1 1 40 40 LYS C C 31 177.090 177.090 175.022 2.068 18223
3371 1 8 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.170 -0.400 18223
3372 1 8 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.632 0.583 18223
3373 1 8 . 1 1 40 40 LYS H H 31 8.072 8.072 7.874 0.198 18223
3374 1 8 . 1 1 41 41 ALA N N 32 122.082 122.082 120.053 2.029 18223
3375 1 8 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.383 -0.142 18223
3376 1 8 . 1 1 41 41 ALA C C 32 178.780 178.780 176.016 2.764 18223
3377 1 8 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.163 1.097 18223
3378 1 8 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.065 -0.335 18223
3379 1 8 . 1 1 41 41 ALA H H 32 7.786 7.786 7.622 0.164 18223
3380 1 8 . 1 1 42 42 GLY N N 33 106.746 106.746 106.228 0.518 18223
3381 1 8 . 1 1 42 42 GLY C C 33 174.790 174.790 174.050 0.740 18223
3382 1 8 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.376 0.444 18223
3383 1 8 . 1 1 42 42 GLY H H 33 7.964 7.964 8.309 -0.345 18223
3384 1 8 . 1 1 43 43 SER N N 34 115.541 115.541 115.392 0.149 18223
3385 1 8 . 1 1 43 43 SER HA H 34 4.491 4.491 4.254 0.237 18223
3386 1 8 . 1 1 43 43 SER C C 34 174.920 174.920 175.366 -0.446 18223
3387 1 8 . 1 1 43 43 SER CA C 34 58.730 58.730 58.480 0.250 18223
3388 1 8 . 1 1 43 43 SER CB C 34 63.798 63.798 63.714 0.084 18223
3389 1 8 . 1 1 43 43 SER H H 34 8.049 8.049 7.912 0.137 18223
3390 1 8 . 1 1 44 44 VAL N N 35 121.887 121.887 126.787 -4.900 18223
3391 1 8 . 1 1 44 44 VAL CA C 35 65.330 65.330 67.137 -1.807 18223
3392 1 8 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.903 -1.573 18223
3393 1 8 . 1 1 44 44 VAL H H 35 8.332 8.332 8.717 -0.385 18223
3394 1 8 . 1 1 46 46 SER N N 37 113.762 113.762 113.833 -0.071 18223
3395 1 8 . 1 1 46 46 SER CA C 37 61.130 61.130 61.424 -0.294 18223
3396 1 8 . 1 1 46 46 SER CB C 37 62.789 62.789 62.859 -0.070 18223
3397 1 8 . 1 1 46 46 SER H H 37 7.924 7.924 8.137 -0.213 18223
3398 1 8 . 1 1 47 47 LEU N N 38 124.450 124.450 122.268 2.182 18223
3399 1 8 . 1 1 47 47 LEU C C 38 176.440 176.440 178.123 -1.683 18223
3400 1 8 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.060 -0.700 18223
3401 1 8 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.866 -0.061 18223
3402 1 8 . 1 1 47 47 LEU H H 38 8.108 8.108 7.541 0.567 18223
3403 1 8 . 1 1 48 48 ALA N N 39 121.290 121.290 120.411 0.879 18223
3404 1 8 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.098 -0.488 18223
3405 1 8 . 1 1 48 48 ALA H H 39 8.250 8.250 7.873 0.377 18223
3406 1 8 . 1 1 49 49 ALA N N 40 120.070 120.070 119.368 0.702 18223
3407 1 8 . 1 1 49 49 ALA C C 40 179.910 179.910 179.743 0.167 18223
3408 1 8 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.833 0.277 18223
3409 1 8 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.351 -0.270 18223
3410 1 8 . 1 1 49 49 ALA H H 40 8.145 8.145 8.279 -0.134 18223
3411 1 8 . 1 1 50 50 GLY N N 41 104.977 104.977 107.708 -2.731 18223
3412 1 8 . 1 1 50 50 GLY C C 41 174.870 174.870 175.928 -1.058 18223
3413 1 8 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.863 0.062 18223
3414 1 8 . 1 1 50 50 GLY H H 41 8.103 8.103 7.984 0.119 18223
3415 1 8 . 1 1 51 51 LEU N N 42 122.431 122.431 122.671 -0.240 18223
3416 1 8 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.925 -0.595 18223
3417 1 8 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.767 0.038 18223
3418 1 8 . 1 1 51 51 LEU H H 42 7.796 7.796 7.868 -0.072 18223
3419 1 8 . 1 1 52 52 LEU N N 43 119.483 119.483 119.597 -0.114 18223
3420 1 8 . 1 1 52 52 LEU C C 43 179.910 179.910 179.627 0.283 18223
3421 1 8 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.303 -0.533 18223
3422 1 8 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.821 -0.449 18223
3423 1 8 . 1 1 52 52 LEU H H 43 7.862 7.862 8.031 -0.169 18223
3424 1 8 . 1 1 53 53 PHE N N 44 117.117 117.117 118.616 -1.499 18223
3425 1 8 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.288 0.083 18223
3426 1 8 . 1 1 53 53 PHE C C 44 178.530 178.530 177.628 0.902 18223
3427 1 8 . 1 1 53 53 PHE CA C 44 60.150 60.150 60.561 -0.411 18223
3428 1 8 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.517 -0.390 18223
3429 1 8 . 1 1 53 53 PHE H H 44 8.343 8.343 8.420 -0.077 18223
3430 1 8 . 1 1 54 54 GLY N N 45 107.605 107.605 107.955 -0.350 18223
3431 1 8 . 1 1 54 54 GLY C C 45 176.400 176.400 175.650 0.750 18223
3432 1 8 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.298 -0.548 18223
3433 1 8 . 1 1 54 54 GLY H H 45 8.150 8.150 7.972 0.178 18223
3434 1 8 . 1 1 55 55 SER N N 46 117.713 117.713 118.159 -0.446 18223
3435 1 8 . 1 1 55 55 SER C C 46 176.130 176.130 176.810 -0.680 18223
3436 1 8 . 1 1 55 55 SER CA C 46 61.240 61.240 61.798 -0.558 18223
3437 1 8 . 1 1 55 55 SER CB C 46 63.294 63.294 63.060 0.234 18223
3438 1 8 . 1 1 55 55 SER H H 46 7.942 7.942 7.941 0.001 18223
3439 1 8 . 1 1 56 56 LEU N N 47 121.618 121.618 123.166 -1.548 18223
3440 1 8 . 1 1 56 56 LEU C C 47 178.510 178.510 178.361 0.149 18223
3441 1 8 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.326 -0.566 18223
3442 1 8 . 1 1 56 56 LEU CB C 47 41.156 41.156 40.900 0.256 18223
3443 1 8 . 1 1 56 56 LEU H H 47 7.910 7.910 8.053 -0.143 18223
3444 1 8 . 1 1 57 57 ALA N N 48 121.557 121.557 120.083 1.474 18223
3445 1 8 . 1 1 57 57 ALA C C 48 180.040 180.040 179.505 0.535 18223
3446 1 8 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.915 -0.365 18223
3447 1 8 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.715 0.366 18223
3448 1 8 . 1 1 57 57 ALA H H 48 7.878 7.878 7.993 -0.115 18223
3449 1 8 . 1 1 58 58 GLY N N 49 106.435 106.435 107.108 -0.673 18223
3450 1 8 . 1 1 58 58 GLY C C 49 175.740 175.740 176.381 -0.641 18223
3451 1 8 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.006 -0.726 18223
3452 1 8 . 1 1 58 58 GLY H H 49 8.085 8.085 7.998 0.087 18223
3453 1 8 . 1 1 59 59 LEU N N 50 121.230 121.230 121.831 -0.601 18223
3454 1 8 . 1 1 59 59 LEU C C 50 178.390 178.390 179.442 -1.052 18223
3455 1 8 . 1 1 59 59 LEU CA C 50 56.430 56.430 56.874 -0.444 18223
3456 1 8 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.324 0.337 18223
3457 1 8 . 1 1 59 59 LEU H H 50 7.770 7.770 7.939 -0.169 18223
3458 1 8 . 1 1 60 60 GLY N N 51 106.525 106.525 106.969 -0.444 18223
3459 1 8 . 1 1 60 60 GLY C C 51 174.820 174.820 175.543 -0.723 18223
3460 1 8 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.654 -0.364 18223
3461 1 8 . 1 1 60 60 GLY H H 51 8.090 8.090 7.678 0.412 18223
3462 1 8 . 1 1 61 61 ALA N N 52 122.773 122.773 122.870 -0.097 18223
3463 1 8 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.911 0.191 18223
3464 1 8 . 1 1 61 61 ALA C C 52 178.320 178.320 177.387 0.933 18223
3465 1 8 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.588 -0.168 18223
3466 1 8 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.930 -0.488 18223
3467 1 8 . 1 1 61 61 ALA H H 52 7.819 7.819 7.963 -0.144 18223
3468 1 8 . 1 1 62 62 TYR N N 53 118.481 118.481 115.356 3.125 18223
3469 1 8 . 1 1 62 62 TYR C C 53 176.390 176.390 175.102 1.288 18223
3470 1 8 . 1 1 62 62 TYR CA C 53 59.000 59.000 57.042 1.958 18223
3471 1 8 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.740 0.604 18223
3472 1 8 . 1 1 62 62 TYR H H 53 7.794 7.794 7.242 0.551 18223
3473 1 8 . 1 1 63 63 GLN N N 54 120.770 120.770 119.946 0.824 18223
3474 1 8 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.739 -0.179 18223
3475 1 8 . 1 1 63 63 GLN CB C 54 28.648 28.648 27.168 1.480 18223
3476 1 8 . 1 1 63 63 GLN H H 54 8.033 8.033 8.065 -0.032 18223
3477 1 8 . 1 1 64 64 LEU N N 55 121.847 121.847 123.416 -1.569 18223
3478 1 8 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.416 -0.246 18223
3479 1 8 . 1 1 64 64 LEU C C 55 177.790 177.790 175.482 2.308 18223
3480 1 8 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.609 0.401 18223
3481 1 8 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.276 -0.471 18223
3482 1 8 . 1 1 64 64 LEU H H 55 8.018 8.018 8.209 -0.191 18223
3483 1 8 . 1 1 65 65 SER N N 56 113.937 113.937 114.302 -0.365 18223
3484 1 8 . 1 1 65 65 SER C C 56 174.710 174.710 173.347 1.363 18223
3485 1 8 . 1 1 65 65 SER CA C 56 59.050 59.050 58.482 0.568 18223
3486 1 8 . 1 1 65 65 SER CB C 56 63.554 63.554 63.552 0.002 18223
3487 1 8 . 1 1 65 65 SER H H 56 7.892 7.892 8.205 -0.313 18223
3488 1 8 . 1 1 66 66 GLN N N 57 120.154 120.154 119.050 1.104 18223
3489 1 8 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.094 0.149 18223
3490 1 8 . 1 1 66 66 GLN C C 57 175.760 175.760 174.283 1.477 18223
3491 1 8 . 1 1 66 66 GLN CA C 57 55.650 55.650 57.146 -1.496 18223
3492 1 8 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.017 0.531 18223
3493 1 8 . 1 1 66 66 GLN H H 57 7.625 7.625 8.323 -0.698 18223
3494 1 8 . 1 1 67 67 ASP N N 58 120.090 120.090 120.670 -0.580 18223
3495 1 8 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.424 -2.424 18223
3496 1 8 . 1 1 67 67 ASP H H 58 8.000 8.000 8.393 -0.393 18223
3497 1 8 . 1 1 68 68 PRO C C 59 177.890 177.890 178.515 -0.625 18223
3498 1 8 . 1 1 69 69 ARG N N 60 117.806 117.806 118.487 -0.681 18223
3499 1 8 . 1 1 69 69 ARG C C 60 178.330 178.330 178.159 0.171 18223
3500 1 8 . 1 1 69 69 ARG CA C 60 58.895 58.895 59.715 -0.820 18223
3501 1 8 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.573 -0.371 18223
3502 1 8 . 1 1 69 69 ARG H H 60 8.402 8.402 8.278 0.124 18223
3503 1 8 . 1 1 70 70 ASN N N 61 116.920 116.920 117.496 -0.576 18223
3504 1 8 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.151 -0.852 18223
3505 1 8 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.069 -0.002 18223
3506 1 8 . 1 1 70 70 ASN H H 61 7.930 7.930 8.231 -0.301 18223
3507 1 8 . 1 1 71 71 VAL N N 62 120.795 120.795 116.844 3.951 18223
3508 1 8 . 1 1 71 71 VAL CA C 62 65.927 65.927 65.645 0.282 18223
3509 1 8 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.292 -0.298 18223
3510 1 8 . 1 1 71 71 VAL H H 62 7.783 7.783 7.548 0.235 18223
3511 1 8 . 1 1 72 72 TRP N N 63 120.550 120.550 122.385 -1.835 18223
3512 1 8 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.511 -0.094 18223
3513 1 8 . 1 1 72 72 TRP C C 63 177.850 177.850 178.928 -1.078 18223
3514 1 8 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.111 -0.981 18223
3515 1 8 . 1 1 72 72 TRP CB C 63 29.313 29.313 28.920 0.393 18223
3516 1 8 . 1 1 72 72 TRP H H 63 7.760 7.760 7.942 -0.182 18223
3517 1 8 . 1 1 73 73 VAL N N 64 117.896 117.896 118.177 -0.281 18223
3518 1 8 . 1 1 73 73 VAL C C 64 179.270 179.270 178.147 1.123 18223
3519 1 8 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.313 -0.783 18223
3520 1 8 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.457 -0.149 18223
3521 1 8 . 1 1 73 73 VAL H H 64 7.905 7.905 8.341 -0.436 18223
3522 1 8 . 1 1 74 74 PHE N N 65 122.086 122.086 118.505 3.581 18223
3523 1 8 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.227 -0.002 18223
3524 1 8 . 1 1 74 74 PHE C C 65 177.760 177.760 177.332 0.428 18223
3525 1 8 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.926 -0.636 18223
3526 1 8 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.821 -0.261 18223
3527 1 8 . 1 1 74 74 PHE H H 65 7.857 7.857 7.370 0.487 18223
3528 1 8 . 1 1 75 75 LEU N N 66 121.304 121.304 122.289 -0.985 18223
3529 1 8 . 1 1 75 75 LEU C C 66 179.060 179.060 177.610 1.450 18223
3530 1 8 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.086 -0.286 18223
3531 1 8 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.859 -0.559 18223
3532 1 8 . 1 1 75 75 LEU H H 66 8.326 8.326 8.404 -0.078 18223
3533 1 8 . 1 1 76 76 ALA N N 67 120.420 120.420 119.319 1.101 18223
3534 1 8 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.905 0.491 18223
3535 1 8 . 1 1 76 76 ALA C C 67 180.180 180.180 179.425 0.755 18223
3536 1 8 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.062 -0.472 18223
3537 1 8 . 1 1 76 76 ALA H H 67 8.283 8.283 8.111 0.172 18223
3538 1 8 . 1 1 77 77 THR N N 68 111.152 111.152 115.653 -4.501 18223
3539 1 8 . 1 1 77 77 THR C C 68 175.830 175.830 176.633 -0.803 18223
3540 1 8 . 1 1 77 77 THR CA C 68 64.159 64.159 67.502 -3.343 18223
3541 1 8 . 1 1 77 77 THR CB C 68 69.711 69.711 68.370 1.341 18223
3542 1 8 . 1 1 77 77 THR H H 68 7.951 7.951 8.046 -0.095 18223
3543 1 8 . 1 1 78 78 SER N N 69 117.883 117.883 115.469 2.414 18223
3544 1 8 . 1 1 78 78 SER C C 69 176.000 176.000 176.911 -0.911 18223
3545 1 8 . 1 1 78 78 SER CA C 69 60.730 60.730 60.512 0.218 18223
3546 1 8 . 1 1 78 78 SER H H 69 7.839 7.839 8.007 -0.168 18223
3547 1 8 . 1 1 79 79 GLY N N 70 111.078 111.078 110.872 0.206 18223
3548 1 8 . 1 1 79 79 GLY C C 70 175.830 175.830 175.762 0.068 18223
3549 1 8 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.493 -0.783 18223
3550 1 8 . 1 1 79 79 GLY H H 70 8.269 8.269 8.106 0.163 18223
3551 1 8 . 1 1 80 80 THR N N 71 117.727 117.727 118.479 -0.752 18223
3552 1 8 . 1 1 80 80 THR C C 71 176.110 176.110 176.574 -0.464 18223
3553 1 8 . 1 1 80 80 THR CA C 71 66.178 66.178 66.333 -0.155 18223
3554 1 8 . 1 1 80 80 THR CB C 71 68.630 68.630 69.039 -0.409 18223
3555 1 8 . 1 1 80 80 THR H H 71 7.823 7.823 7.815 0.008 18223
3556 1 8 . 1 1 81 81 LEU N N 72 121.422 121.422 122.564 -1.142 18223
3557 1 8 . 1 1 81 81 LEU C C 72 178.620 178.620 177.856 0.764 18223
3558 1 8 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.557 -0.867 18223
3559 1 8 . 1 1 81 81 LEU H H 72 7.846 7.846 8.077 -0.231 18223
3560 1 8 . 1 1 82 82 ALA N N 73 121.160 121.160 118.450 2.710 18223
3561 1 8 . 1 1 82 82 ALA C C 73 180.440 180.440 179.732 0.708 18223
3562 1 8 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.795 1.385 18223
3563 1 8 . 1 1 82 82 ALA CB C 73 17.865 17.865 19.011 -1.146 18223
3564 1 8 . 1 1 82 82 ALA H H 73 8.050 8.050 8.154 -0.104 18223
3565 1 8 . 1 1 83 83 GLY N N 74 106.017 106.017 109.366 -3.349 18223
3566 1 8 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.917 0.093 18223
3567 1 8 . 1 1 83 83 GLY H H 74 8.132 8.132 7.829 0.303 18223
3568 1 8 . 1 1 84 84 ILE N N 75 122.030 122.030 120.130 1.900 18223
3569 1 8 . 1 1 84 84 ILE C C 75 178.530 178.530 176.071 2.459 18223
3570 1 8 . 1 1 84 84 ILE CA C 75 64.730 64.730 62.898 1.832 18223
3571 1 8 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.563 -0.796 18223
3572 1 8 . 1 1 84 84 ILE H H 75 7.930 7.930 7.923 0.007 18223
3573 1 8 . 1 1 85 85 MET N N 76 117.920 117.920 118.091 -0.171 18223
3574 1 8 . 1 1 85 85 MET CA C 76 57.810 57.810 54.788 3.022 18223
3575 1 8 . 1 1 85 85 MET H H 76 8.140 8.140 7.828 0.312 18223
3576 1 8 . 1 1 86 86 GLY N N 77 109.118 109.118 107.065 2.053 18223
3577 1 8 . 1 1 86 86 GLY CA C 77 45.771 45.771 45.004 0.767 18223
3578 1 8 . 1 1 86 86 GLY H H 77 7.920 7.920 8.039 -0.119 18223
3579 1 8 . 1 1 87 87 MET N N 78 119.220 119.220 118.724 0.496 18223
3580 1 8 . 1 1 87 87 MET CA C 78 55.810 55.810 57.368 -1.558 18223
3581 1 8 . 1 1 87 87 MET H H 78 7.950 7.950 8.410 -0.460 18223
3582 1 8 . 1 1 88 88 ARG N N 79 120.090 120.090 119.508 0.582 18223
3583 1 8 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.458 -3.458 18223
3584 1 8 . 1 1 88 88 ARG H H 79 8.000 8.000 7.816 0.184 18223
3585 1 8 . 1 1 90 90 TYR C C 81 176.310 176.310 175.314 0.996 18223
3586 1 8 . 1 1 91 91 HIS N N 82 118.270 118.270 118.814 -0.544 18223
3587 1 8 . 1 1 91 91 HIS C C 82 174.940 174.940 173.969 0.971 18223
3588 1 8 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.541 -0.691 18223
3589 1 8 . 1 1 91 91 HIS H H 82 8.130 8.130 8.381 -0.251 18223
3590 1 8 . 1 1 92 92 SER N N 83 115.818 115.818 114.875 0.943 18223
3591 1 8 . 1 1 92 92 SER C C 83 175.470 175.470 173.439 2.031 18223
3592 1 8 . 1 1 92 92 SER CA C 83 59.430 59.430 57.849 1.581 18223
3593 1 8 . 1 1 92 92 SER CB C 83 63.870 63.870 63.646 0.224 18223
3594 1 8 . 1 1 92 92 SER H H 83 8.007 8.007 8.173 -0.166 18223
3595 1 8 . 1 1 93 93 GLY N N 84 110.518 110.518 108.966 1.552 18223
3596 1 8 . 1 1 93 93 GLY C C 84 174.740 174.740 173.435 1.305 18223
3597 1 8 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.254 1.676 18223
3598 1 8 . 1 1 93 93 GLY H H 84 8.099 8.099 7.740 0.359 18223
3599 1 8 . 1 1 94 94 LYS N N 85 120.088 120.088 123.941 -3.853 18223
3600 1 8 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.818 -0.374 18223
3601 1 8 . 1 1 94 94 LYS CB C 85 32.359 32.359 30.343 2.016 18223
3602 1 8 . 1 1 94 94 LYS H H 85 7.810 7.810 8.289 -0.479 18223
3603 1 8 . 1 1 95 95 PHE N N 86 118.766 118.766 113.896 4.870 18223
3604 1 8 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.998 -0.188 18223
3605 1 8 . 1 1 95 95 PHE CB C 86 39.281 39.281 37.042 2.239 18223
3606 1 8 . 1 1 95 95 PHE H H 86 7.911 7.911 8.029 -0.118 18223
3607 1 8 . 1 1 96 96 MET N N 87 120.600 120.600 119.702 0.898 18223
3608 1 8 . 1 1 96 96 MET CA C 87 53.150 53.150 60.537 -7.387 18223
3609 1 8 . 1 1 96 96 MET H H 87 7.670 7.670 8.147 -0.477 18223
3610 1 8 . 1 1 97 97 PRO C C 88 176.820 176.820 176.421 0.399 18223
3611 1 8 . 1 1 98 98 ALA N N 89 124.300 124.300 117.389 6.911 18223
3612 1 8 . 1 1 98 98 ALA C C 89 179.480 179.480 176.200 3.280 18223
3613 1 8 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.273 1.117 18223
3614 1 8 . 1 1 98 98 ALA CB C 89 18.802 18.802 18.909 -0.107 18223
3615 1 8 . 1 1 98 98 ALA H H 89 8.302 8.302 7.683 0.619 18223
3616 1 8 . 1 1 99 99 GLY N N 90 107.011 107.011 107.435 -0.424 18223
3617 1 8 . 1 1 99 99 GLY C C 90 174.920 174.920 174.357 0.563 18223
3618 1 8 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.247 0.633 18223
3619 1 8 . 1 1 99 99 GLY H H 90 8.341 8.341 8.043 0.298 18223
3620 1 8 . 1 1 100 100 LEU N N 91 120.873 120.873 123.175 -2.302 18223
3621 1 8 . 1 1 100 100 LEU C C 91 177.250 177.250 177.489 -0.239 18223
3622 1 8 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.989 -1.889 18223
3623 1 8 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.385 -0.290 18223
3624 1 8 . 1 1 100 100 LEU H H 91 7.732 7.732 8.120 -0.388 18223
3625 1 8 . 1 1 101 101 ILE N N 92 118.245 118.245 120.184 -1.939 18223
3626 1 8 . 1 1 101 101 ILE C C 92 177.130 177.130 176.723 0.407 18223
3627 1 8 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.563 -3.649 18223
3628 1 8 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.345 0.783 18223
3629 1 8 . 1 1 101 101 ILE H H 92 7.668 7.668 8.240 -0.572 18223
3630 1 8 . 1 1 102 102 ALA N N 93 127.523 127.523 121.299 6.224 18223
3631 1 8 . 1 1 102 102 ALA C C 93 179.370 179.370 179.841 -0.471 18223
3632 1 8 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.325 -2.486 18223
3633 1 8 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.084 0.935 18223
3634 1 8 . 1 1 102 102 ALA H H 93 8.110 8.110 8.214 -0.104 18223
3635 1 8 . 1 1 103 103 GLY N N 94 109.013 109.013 107.038 1.975 18223
3636 1 8 . 1 1 103 103 GLY C C 94 175.290 175.290 175.893 -0.603 18223
3637 1 8 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.012 -1.592 18223
3638 1 8 . 1 1 103 103 GLY H H 94 8.180 8.180 8.161 0.019 18223
3639 1 8 . 1 1 104 104 ALA N N 95 123.130 123.130 124.188 -1.058 18223
3640 1 8 . 1 1 104 104 ALA C C 95 180.040 180.040 179.700 0.340 18223
3641 1 8 . 1 1 104 104 ALA H H 95 8.230 8.230 8.295 -0.065 18223
3642 1 8 . 1 1 105 105 SER N N 96 114.606 114.606 114.683 -0.077 18223
3643 1 8 . 1 1 105 105 SER C C 96 176.140 176.140 176.731 -0.591 18223
3644 1 8 . 1 1 105 105 SER H H 96 7.915 7.915 7.972 -0.057 18223
3645 1 8 . 1 1 106 106 LEU N N 97 122.651 122.651 122.934 -0.283 18223
3646 1 8 . 1 1 106 106 LEU C C 97 179.140 179.140 177.911 1.229 18223
3647 1 8 . 1 1 106 106 LEU H H 97 8.066 8.066 7.905 0.161 18223
3648 1 8 . 1 1 108 108 MET N N 99 118.381 118.381 118.861 -0.480 18223
3649 1 8 . 1 1 108 108 MET C C 99 178.830 178.830 178.396 0.434 18223
3650 1 8 . 1 1 108 108 MET CA C 99 58.730 58.730 59.870 -1.141 18223
3651 1 8 . 1 1 108 108 MET H H 99 7.682 7.682 8.444 -0.762 18223
3652 1 8 . 1 1 109 109 VAL N N 100 118.713 118.713 119.288 -0.575 18223
3653 1 8 . 1 1 109 109 VAL C C 100 177.930 177.930 177.725 0.205 18223
3654 1 8 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.900 -0.670 18223
3655 1 8 . 1 1 109 109 VAL H H 100 7.821 7.821 8.202 -0.381 18223
3656 1 8 . 1 1 110 110 ALA N N 101 122.160 122.160 121.179 0.981 18223
3657 1 8 . 1 1 110 110 ALA C C 101 180.470 180.470 179.703 0.767 18223
3658 1 8 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.304 0.036 18223
3659 1 8 . 1 1 110 110 ALA H H 101 8.110 8.110 8.092 0.018 18223
3660 1 8 . 1 1 111 111 LYS N N 102 120.260 120.260 118.806 1.454 18223
3661 1 8 . 1 1 111 111 LYS C C 102 177.490 177.490 178.308 -0.818 18223
3662 1 8 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.124 -1.634 18223
3663 1 8 . 1 1 111 111 LYS H H 102 7.870 7.870 7.708 0.162 18223
3664 1 8 . 1 1 112 112 VAL N N 103 120.410 120.410 117.239 3.171 18223
3665 1 8 . 1 1 112 112 VAL C C 103 176.240 176.240 177.956 -1.716 18223
3666 1 8 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.468 0.253 18223
3667 1 8 . 1 1 112 112 VAL H H 103 7.990 7.990 8.004 -0.014 18223
3668 1 8 . 1 1 113 113 GLY N N 104 108.926 108.926 106.946 1.980 18223
3669 1 8 . 1 1 113 113 GLY C C 104 175.150 175.150 175.047 0.103 18223
3670 1 8 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.803 1.847 18223
3671 1 8 . 1 1 113 113 GLY H H 104 8.477 8.477 7.867 0.610 18223
3672 1 8 . 1 1 114 114 VAL N N 105 119.350 119.350 120.681 -1.331 18223
3673 1 8 . 1 1 114 114 VAL C C 105 178.390 178.390 176.084 2.306 18223
3674 1 8 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.660 3.480 18223
3675 1 8 . 1 1 114 114 VAL H H 105 8.310 8.310 7.822 0.488 18223
3676 1 8 . 1 1 115 115 SER N N 106 115.964 115.964 117.759 -1.795 18223
3677 1 8 . 1 1 115 115 SER C C 106 177.250 177.250 173.323 3.927 18223
3678 1 8 . 1 1 115 115 SER CA C 106 61.130 61.130 59.335 1.795 18223
3679 1 8 . 1 1 115 115 SER H H 106 7.815 7.815 8.321 -0.506 18223
3680 1 8 . 1 1 116 116 MET N N 107 120.190 120.190 125.042 -4.852 18223
3681 1 8 . 1 1 116 116 MET C C 107 177.190 177.190 175.852 1.338 18223
3682 1 8 . 1 1 116 116 MET CA C 107 57.450 57.450 54.941 2.509 18223
3683 1 8 . 1 1 116 116 MET H H 107 7.820 7.820 8.181 -0.361 18223
3684 1 8 . 1 1 117 117 PHE N N 108 117.325 117.325 123.675 -6.350 18223
3685 1 8 . 1 1 117 117 PHE C C 108 175.740 175.740 175.573 0.167 18223
3686 1 8 . 1 1 117 117 PHE CA C 108 58.870 58.870 60.302 -1.432 18223
3687 1 8 . 1 1 117 117 PHE H H 108 7.735 7.735 8.807 -1.072 18223
3688 1 8 . 1 1 118 118 ASN N N 109 118.878 118.878 115.309 3.569 18223
3689 1 8 . 1 1 118 118 ASN C C 109 174.830 174.830 174.789 0.041 18223
3690 1 8 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.622 -0.562 18223
3691 1 8 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.440 0.625 18223
3692 1 8 . 1 1 118 118 ASN H H 109 7.907 7.907 8.221 -0.314 18223
3693 1 8 . 1 1 119 119 ARG N N 110 122.870 122.870 119.698 3.172 18223
3694 1 8 . 1 1 119 119 ARG CA C 110 54.150 54.150 56.194 -2.043 18223
3695 1 8 . 1 1 119 119 ARG H H 110 7.894 7.894 8.734 -0.840 18223
3696 1 8 . 1 1 120 120 PRO C C 111 176.590 176.590 176.568 0.022 18223
3697 1 9 . 1 1 11 11 GLN C C 2 176.170 176.170 173.788 2.382 18223
3698 1 9 . 1 1 12 12 ASP N N 3 120.369 120.369 121.672 -1.303 18223
3699 1 9 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.562 -0.412 18223
3700 1 9 . 1 1 12 12 ASP C C 3 176.980 176.980 177.583 -0.603 18223
3701 1 9 . 1 1 12 12 ASP CA C 3 54.837 54.837 55.138 -0.301 18223
3702 1 9 . 1 1 12 12 ASP CB C 3 40.796 40.796 40.795 0.001 18223
3703 1 9 . 1 1 12 12 ASP H H 3 8.275 8.275 8.749 -0.474 18223
3704 1 9 . 1 1 13 13 THR N N 4 114.220 114.220 115.932 -1.712 18223
3705 1 9 . 1 1 13 13 THR HA H 4 4.636 4.636 4.229 0.407 18223
3706 1 9 . 1 1 13 13 THR C C 4 175.530 175.530 175.164 0.366 18223
3707 1 9 . 1 1 13 13 THR CA C 4 62.790 62.790 63.926 -1.136 18223
3708 1 9 . 1 1 13 13 THR CB C 4 69.134 69.134 69.159 -0.025 18223
3709 1 9 . 1 1 13 13 THR H H 4 7.990 7.990 8.029 -0.039 18223
3710 1 9 . 1 1 14 14 SER N N 5 117.664 117.664 112.140 5.524 18223
3711 1 9 . 1 1 14 14 SER HA H 5 4.296 4.296 4.657 -0.361 18223
3712 1 9 . 1 1 14 14 SER C C 5 175.200 175.200 173.089 2.111 18223
3713 1 9 . 1 1 14 14 SER CA C 5 59.443 59.443 57.956 1.487 18223
3714 1 9 . 1 1 14 14 SER CB C 5 63.438 63.438 64.596 -1.158 18223
3715 1 9 . 1 1 14 14 SER H H 5 8.255 8.255 7.827 0.428 18223
3716 1 9 . 1 1 15 15 SER N N 6 117.093 117.093 114.154 2.939 18223
3717 1 9 . 1 1 15 15 SER HA H 6 4.317 4.317 4.526 -0.209 18223
3718 1 9 . 1 1 15 15 SER C C 6 174.770 174.770 175.722 -0.952 18223
3719 1 9 . 1 1 15 15 SER CA C 6 58.737 58.737 59.006 -0.269 18223
3720 1 9 . 1 1 15 15 SER CB C 6 63.656 63.656 63.858 -0.203 18223
3721 1 9 . 1 1 15 15 SER H H 6 8.050 8.050 8.874 -0.824 18223
3722 1 9 . 1 1 16 16 VAL N N 7 119.995 119.995 122.401 -2.406 18223
3723 1 9 . 1 1 16 16 VAL C C 7 176.150 176.150 175.807 0.343 18223
3724 1 9 . 1 1 16 16 VAL CA C 7 62.743 62.743 64.320 -1.577 18223
3725 1 9 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.206 0.009 18223
3726 1 9 . 1 1 16 16 VAL H H 7 7.775 7.775 8.070 -0.295 18223
3727 1 9 . 1 1 17 17 VAL N N 8 121.090 121.090 116.215 4.875 18223
3728 1 9 . 1 1 17 17 VAL CA C 8 60.910 60.910 60.403 0.507 18223
3729 1 9 . 1 1 17 17 VAL H H 8 7.730 7.730 7.528 0.202 18223
3730 1 9 . 1 1 18 18 PRO C C 9 178.410 178.410 177.672 0.738 18223
3731 1 9 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.249 1.261 18223
3732 1 9 . 1 1 19 19 LEU N N 10 121.410 121.410 122.209 -0.799 18223
3733 1 9 . 1 1 19 19 LEU C C 10 178.910 178.910 178.721 0.189 18223
3734 1 9 . 1 1 19 19 LEU CA C 10 56.850 56.850 58.318 -1.468 18223
3735 1 9 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.298 0.147 18223
3736 1 9 . 1 1 19 19 LEU H H 10 7.930 7.930 8.437 -0.507 18223
3737 1 9 . 1 1 20 20 HIS N N 11 116.900 116.900 116.656 0.244 18223
3738 1 9 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.384 0.247 18223
3739 1 9 . 1 1 20 20 HIS C C 11 174.990 174.990 178.280 -3.290 18223
3740 1 9 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.688 -2.688 18223
3741 1 9 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.530 -1.570 18223
3742 1 9 . 1 1 20 20 HIS H H 11 8.384 8.384 8.244 0.140 18223
3743 1 9 . 1 1 21 21 TRP C C 12 177.660 177.660 179.028 -1.368 18223
3744 1 9 . 1 1 22 22 PHE N N 13 119.238 119.238 118.062 1.176 18223
3745 1 9 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.108 0.180 18223
3746 1 9 . 1 1 22 22 PHE C C 13 177.410 177.410 177.845 -0.435 18223
3747 1 9 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.807 -2.109 18223
3748 1 9 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.762 -0.418 18223
3749 1 9 . 1 1 22 22 PHE H H 13 7.883 7.883 9.078 -1.195 18223
3750 1 9 . 1 1 23 23 GLY N N 14 107.209 107.209 106.428 0.781 18223
3751 1 9 . 1 1 23 23 GLY C C 14 176.220 176.220 175.826 0.394 18223
3752 1 9 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.348 -0.268 18223
3753 1 9 . 1 1 23 23 GLY H H 14 7.911 7.911 8.353 -0.442 18223
3754 1 9 . 1 1 24 24 PHE N N 15 121.880 121.880 123.083 -1.203 18223
3755 1 9 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.319 0.094 18223
3756 1 9 . 1 1 24 24 PHE C C 15 177.840 177.840 177.700 0.140 18223
3757 1 9 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.573 -0.483 18223
3758 1 9 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.150 -0.301 18223
3759 1 9 . 1 1 24 24 PHE H H 15 7.900 7.900 8.344 -0.444 18223
3760 1 9 . 1 1 25 25 GLY N N 16 107.640 107.640 107.243 0.397 18223
3761 1 9 . 1 1 25 25 GLY C C 16 174.910 174.910 175.607 -0.697 18223
3762 1 9 . 1 1 25 25 GLY CA C 16 47.330 47.330 46.906 0.424 18223
3763 1 9 . 1 1 25 25 GLY H H 16 8.320 8.320 8.750 -0.430 18223
3764 1 9 . 1 1 26 26 TYR N N 17 121.804 121.804 123.625 -1.821 18223
3765 1 9 . 1 1 26 26 TYR C C 17 177.120 177.120 176.992 0.128 18223
3766 1 9 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.817 -0.147 18223
3767 1 9 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.698 -0.297 18223
3768 1 9 . 1 1 26 26 TYR H H 17 8.365 8.365 8.311 0.054 18223
3769 1 9 . 1 1 27 27 ALA N N 18 120.785 120.785 120.581 0.204 18223
3770 1 9 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.951 -0.068 18223
3771 1 9 . 1 1 27 27 ALA C C 18 178.790 178.790 179.211 -0.421 18223
3772 1 9 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.156 -0.116 18223
3773 1 9 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.963 -0.242 18223
3774 1 9 . 1 1 27 27 ALA H H 18 7.949 7.949 8.290 -0.341 18223
3775 1 9 . 1 1 28 28 ALA N N 19 120.210 120.210 120.168 0.042 18223
3776 1 9 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.321 0.529 18223
3777 1 9 . 1 1 28 28 ALA CB C 19 17.721 17.721 17.949 -0.228 18223
3778 1 9 . 1 1 28 28 ALA H H 19 7.870 7.870 7.759 0.111 18223
3779 1 9 . 1 1 29 29 LEU N N 20 120.090 120.090 120.749 -0.659 18223
3780 1 9 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.838 -5.838 18223
3781 1 9 . 1 1 29 29 LEU H H 20 8.000 8.000 7.558 0.442 18223
3782 1 9 . 1 1 30 30 VAL N N 21 118.299 118.299 118.980 -0.681 18223
3783 1 9 . 1 1 30 30 VAL C C 21 178.920 178.920 177.802 1.118 18223
3784 1 9 . 1 1 30 30 VAL CA C 21 65.620 65.620 65.714 -0.094 18223
3785 1 9 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.253 0.024 18223
3786 1 9 . 1 1 30 30 VAL H H 21 7.947 7.947 7.907 0.040 18223
3787 1 9 . 1 1 31 31 ALA N N 22 122.600 122.600 121.901 0.699 18223
3788 1 9 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.918 0.255 18223
3789 1 9 . 1 1 31 31 ALA C C 22 179.540 179.540 179.244 0.296 18223
3790 1 9 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.167 -0.959 18223
3791 1 9 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.026 0.416 18223
3792 1 9 . 1 1 31 31 ALA H H 22 7.819 7.819 8.008 -0.189 18223
3793 1 9 . 1 1 32 32 SER N N 23 113.502 113.502 114.218 -0.716 18223
3794 1 9 . 1 1 32 32 SER HA H 23 4.015 4.015 3.971 0.044 18223
3795 1 9 . 1 1 32 32 SER C C 23 175.890 175.890 177.034 -1.144 18223
3796 1 9 . 1 1 32 32 SER CA C 23 60.490 60.490 61.964 -1.474 18223
3797 1 9 . 1 1 32 32 SER CB C 23 63.510 63.510 62.899 0.611 18223
3798 1 9 . 1 1 32 32 SER H H 23 7.826 7.826 8.385 -0.559 18223
3799 1 9 . 1 1 33 33 GLY N N 24 109.939 109.939 108.063 1.876 18223
3800 1 9 . 1 1 33 33 GLY C C 24 176.180 176.180 175.347 0.833 18223
3801 1 9 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.807 -0.157 18223
3802 1 9 . 1 1 33 33 GLY H H 24 7.985 7.985 8.409 -0.424 18223
3803 1 9 . 1 1 34 34 GLY N N 25 109.396 109.396 109.876 -0.480 18223
3804 1 9 . 1 1 34 34 GLY C C 25 175.330 175.330 175.448 -0.118 18223
3805 1 9 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.168 0.002 18223
3806 1 9 . 1 1 34 34 GLY H H 25 8.235 8.235 7.659 0.576 18223
3807 1 9 . 1 1 35 35 ILE N N 26 120.211 120.211 122.632 -2.421 18223
3808 1 9 . 1 1 35 35 ILE C C 26 177.400 177.400 177.748 -0.348 18223
3809 1 9 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.530 -0.700 18223
3810 1 9 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.274 -0.435 18223
3811 1 9 . 1 1 35 35 ILE H H 26 7.998 7.998 7.905 0.093 18223
3812 1 9 . 1 1 36 36 ILE N N 27 120.051 120.051 118.649 1.402 18223
3813 1 9 . 1 1 36 36 ILE C C 27 177.900 177.900 177.083 0.817 18223
3814 1 9 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.082 -0.232 18223
3815 1 9 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.668 -0.838 18223
3816 1 9 . 1 1 36 36 ILE H H 27 7.998 7.998 8.574 -0.576 18223
3817 1 9 . 1 1 37 37 GLY N N 28 107.531 107.531 107.485 0.046 18223
3818 1 9 . 1 1 37 37 GLY C C 28 176.120 176.120 176.220 -0.100 18223
3819 1 9 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.717 0.083 18223
3820 1 9 . 1 1 37 37 GLY H H 28 7.983 7.983 7.415 0.568 18223
3821 1 9 . 1 1 38 38 TYR N N 29 120.900 120.900 123.257 -2.357 18223
3822 1 9 . 1 1 38 38 TYR C C 29 176.530 176.530 177.469 -0.939 18223
3823 1 9 . 1 1 38 38 TYR CA C 29 60.730 60.730 60.976 -0.246 18223
3824 1 9 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.583 -0.095 18223
3825 1 9 . 1 1 38 38 TYR H H 29 7.726 7.726 7.973 -0.247 18223
3826 1 9 . 1 1 39 39 VAL N N 30 117.958 117.958 115.558 2.400 18223
3827 1 9 . 1 1 39 39 VAL C C 30 177.600 177.600 176.923 0.677 18223
3828 1 9 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.805 -0.430 18223
3829 1 9 . 1 1 39 39 VAL CB C 30 31.421 31.421 31.782 -0.361 18223
3830 1 9 . 1 1 39 39 VAL H H 30 7.849 7.849 8.478 -0.629 18223
3831 1 9 . 1 1 40 40 LYS N N 31 120.116 120.116 117.263 2.853 18223
3832 1 9 . 1 1 40 40 LYS C C 31 177.090 177.090 175.196 1.894 18223
3833 1 9 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.347 -0.577 18223
3834 1 9 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.258 0.957 18223
3835 1 9 . 1 1 40 40 LYS H H 31 8.072 8.072 7.391 0.681 18223
3836 1 9 . 1 1 41 41 ALA N N 32 122.082 122.082 121.275 0.807 18223
3837 1 9 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.344 -0.103 18223
3838 1 9 . 1 1 41 41 ALA C C 32 178.780 178.780 177.111 1.669 18223
3839 1 9 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.314 0.946 18223
3840 1 9 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.149 -0.419 18223
3841 1 9 . 1 1 41 41 ALA H H 32 7.786 7.786 7.851 -0.065 18223
3842 1 9 . 1 1 42 42 GLY N N 33 106.746 106.746 107.870 -1.124 18223
3843 1 9 . 1 1 42 42 GLY C C 33 174.790 174.790 174.343 0.447 18223
3844 1 9 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.220 0.600 18223
3845 1 9 . 1 1 42 42 GLY H H 33 7.964 7.964 8.399 -0.435 18223
3846 1 9 . 1 1 43 43 SER N N 34 115.541 115.541 114.913 0.628 18223
3847 1 9 . 1 1 43 43 SER HA H 34 4.491 4.491 4.992 -0.501 18223
3848 1 9 . 1 1 43 43 SER C C 34 174.920 174.920 174.561 0.359 18223
3849 1 9 . 1 1 43 43 SER CA C 34 58.730 58.730 57.269 1.461 18223
3850 1 9 . 1 1 43 43 SER CB C 34 63.798 63.798 65.396 -1.598 18223
3851 1 9 . 1 1 43 43 SER H H 34 8.049 8.049 8.122 -0.073 18223
3852 1 9 . 1 1 44 44 VAL N N 35 121.887 121.887 118.484 3.403 18223
3853 1 9 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.429 1.901 18223
3854 1 9 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.775 -2.445 18223
3855 1 9 . 1 1 44 44 VAL H H 35 8.332 8.332 8.267 0.065 18223
3856 1 9 . 1 1 46 46 SER N N 37 113.762 113.762 114.922 -1.160 18223
3857 1 9 . 1 1 46 46 SER CA C 37 61.130 61.130 61.341 -0.211 18223
3858 1 9 . 1 1 46 46 SER CB C 37 62.789 62.789 62.963 -0.174 18223
3859 1 9 . 1 1 46 46 SER H H 37 7.924 7.924 7.785 0.139 18223
3860 1 9 . 1 1 47 47 LEU N N 38 124.450 124.450 121.555 2.895 18223
3861 1 9 . 1 1 47 47 LEU C C 38 176.440 176.440 177.983 -1.543 18223
3862 1 9 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.581 -0.221 18223
3863 1 9 . 1 1 47 47 LEU CB C 38 41.805 41.805 42.004 -0.199 18223
3864 1 9 . 1 1 47 47 LEU H H 38 8.108 8.108 7.824 0.284 18223
3865 1 9 . 1 1 48 48 ALA N N 39 121.290 121.290 120.338 0.952 18223
3866 1 9 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.011 -0.401 18223
3867 1 9 . 1 1 48 48 ALA H H 39 8.250 8.250 7.798 0.452 18223
3868 1 9 . 1 1 49 49 ALA N N 40 120.070 120.070 120.459 -0.389 18223
3869 1 9 . 1 1 49 49 ALA C C 40 179.910 179.910 179.774 0.136 18223
3870 1 9 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.827 0.283 18223
3871 1 9 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.286 -0.205 18223
3872 1 9 . 1 1 49 49 ALA H H 40 8.145 8.145 8.078 0.067 18223
3873 1 9 . 1 1 50 50 GLY N N 41 104.977 104.977 107.914 -2.937 18223
3874 1 9 . 1 1 50 50 GLY C C 41 174.870 174.870 176.368 -1.498 18223
3875 1 9 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.806 0.119 18223
3876 1 9 . 1 1 50 50 GLY H H 41 8.103 8.103 8.085 0.018 18223
3877 1 9 . 1 1 51 51 LEU N N 42 122.431 122.431 123.257 -0.826 18223
3878 1 9 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.575 -0.245 18223
3879 1 9 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.427 0.378 18223
3880 1 9 . 1 1 51 51 LEU H H 42 7.796 7.796 7.866 -0.070 18223
3881 1 9 . 1 1 52 52 LEU N N 43 119.483 119.483 120.131 -0.648 18223
3882 1 9 . 1 1 52 52 LEU C C 43 179.910 179.910 179.856 0.054 18223
3883 1 9 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.749 -0.980 18223
3884 1 9 . 1 1 52 52 LEU CB C 43 41.372 41.372 40.885 0.487 18223
3885 1 9 . 1 1 52 52 LEU H H 43 7.862 7.862 8.048 -0.186 18223
3886 1 9 . 1 1 53 53 PHE N N 44 117.117 117.117 117.932 -0.815 18223
3887 1 9 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.253 0.118 18223
3888 1 9 . 1 1 53 53 PHE C C 44 178.530 178.530 177.968 0.562 18223
3889 1 9 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.320 -1.170 18223
3890 1 9 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.502 -0.374 18223
3891 1 9 . 1 1 53 53 PHE H H 44 8.343 8.343 8.487 -0.144 18223
3892 1 9 . 1 1 54 54 GLY N N 45 107.605 107.605 107.852 -0.247 18223
3893 1 9 . 1 1 54 54 GLY C C 45 176.400 176.400 175.802 0.598 18223
3894 1 9 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.379 -0.629 18223
3895 1 9 . 1 1 54 54 GLY H H 45 8.150 8.150 8.172 -0.022 18223
3896 1 9 . 1 1 55 55 SER N N 46 117.713 117.713 118.441 -0.728 18223
3897 1 9 . 1 1 55 55 SER C C 46 176.130 176.130 176.897 -0.767 18223
3898 1 9 . 1 1 55 55 SER CA C 46 61.240 61.240 61.641 -0.400 18223
3899 1 9 . 1 1 55 55 SER CB C 46 63.294 63.294 62.976 0.318 18223
3900 1 9 . 1 1 55 55 SER H H 46 7.942 7.942 8.002 -0.060 18223
3901 1 9 . 1 1 56 56 LEU N N 47 121.618 121.618 122.847 -1.229 18223
3902 1 9 . 1 1 56 56 LEU C C 47 178.510 178.510 177.779 0.731 18223
3903 1 9 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.372 -0.612 18223
3904 1 9 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.615 -0.459 18223
3905 1 9 . 1 1 56 56 LEU H H 47 7.910 7.910 8.176 -0.266 18223
3906 1 9 . 1 1 57 57 ALA N N 48 121.557 121.557 120.698 0.859 18223
3907 1 9 . 1 1 57 57 ALA C C 48 180.040 180.040 179.822 0.218 18223
3908 1 9 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.127 -0.577 18223
3909 1 9 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.970 0.111 18223
3910 1 9 . 1 1 57 57 ALA H H 48 7.878 7.878 7.953 -0.075 18223
3911 1 9 . 1 1 58 58 GLY N N 49 106.435 106.435 107.789 -1.354 18223
3912 1 9 . 1 1 58 58 GLY C C 49 175.740 175.740 176.570 -0.830 18223
3913 1 9 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.111 -0.831 18223
3914 1 9 . 1 1 58 58 GLY H H 49 8.085 8.085 8.202 -0.117 18223
3915 1 9 . 1 1 59 59 LEU N N 50 121.230 121.230 121.599 -0.369 18223
3916 1 9 . 1 1 59 59 LEU C C 50 178.390 178.390 178.978 -0.588 18223
3917 1 9 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.724 -1.294 18223
3918 1 9 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.707 -0.046 18223
3919 1 9 . 1 1 59 59 LEU H H 50 7.770 7.770 8.492 -0.722 18223
3920 1 9 . 1 1 60 60 GLY N N 51 106.525 106.525 106.065 0.460 18223
3921 1 9 . 1 1 60 60 GLY C C 51 174.820 174.820 176.489 -1.669 18223
3922 1 9 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.031 -0.741 18223
3923 1 9 . 1 1 60 60 GLY H H 51 8.090 8.090 7.741 0.349 18223
3924 1 9 . 1 1 61 61 ALA N N 52 122.773 122.773 126.164 -3.391 18223
3925 1 9 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.027 0.075 18223
3926 1 9 . 1 1 61 61 ALA C C 52 178.320 178.320 177.633 0.687 18223
3927 1 9 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.124 -0.704 18223
3928 1 9 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.687 -0.245 18223
3929 1 9 . 1 1 61 61 ALA H H 52 7.819 7.819 8.500 -0.681 18223
3930 1 9 . 1 1 62 62 TYR N N 53 118.481 118.481 115.825 2.656 18223
3931 1 9 . 1 1 62 62 TYR C C 53 176.390 176.390 175.259 1.131 18223
3932 1 9 . 1 1 62 62 TYR CA C 53 59.000 59.000 59.424 -0.424 18223
3933 1 9 . 1 1 62 62 TYR CB C 53 38.344 38.344 38.774 -0.430 18223
3934 1 9 . 1 1 62 62 TYR H H 53 7.794 7.794 7.662 0.132 18223
3935 1 9 . 1 1 63 63 GLN N N 54 120.770 120.770 116.643 4.127 18223
3936 1 9 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.345 0.215 18223
3937 1 9 . 1 1 63 63 GLN CB C 54 28.648 28.648 33.025 -4.377 18223
3938 1 9 . 1 1 63 63 GLN H H 54 8.033 8.033 8.253 -0.220 18223
3939 1 9 . 1 1 64 64 LEU N N 55 121.847 121.847 115.539 6.308 18223
3940 1 9 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.563 -0.393 18223
3941 1 9 . 1 1 64 64 LEU C C 55 177.790 177.790 174.976 2.814 18223
3942 1 9 . 1 1 64 64 LEU CA C 55 56.010 56.010 56.060 -0.050 18223
3943 1 9 . 1 1 64 64 LEU CB C 55 41.805 41.805 44.270 -2.465 18223
3944 1 9 . 1 1 64 64 LEU H H 55 8.018 8.018 7.463 0.555 18223
3945 1 9 . 1 1 65 65 SER N N 56 113.937 113.937 118.520 -4.583 18223
3946 1 9 . 1 1 65 65 SER C C 56 174.710 174.710 173.229 1.481 18223
3947 1 9 . 1 1 65 65 SER CA C 56 59.050 59.050 58.815 0.235 18223
3948 1 9 . 1 1 65 65 SER CB C 56 63.554 63.554 63.658 -0.104 18223
3949 1 9 . 1 1 65 65 SER H H 56 7.892 7.892 8.554 -0.662 18223
3950 1 9 . 1 1 66 66 GLN N N 57 120.154 120.154 122.226 -2.072 18223
3951 1 9 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.512 -0.269 18223
3952 1 9 . 1 1 66 66 GLN C C 57 175.760 175.760 174.387 1.373 18223
3953 1 9 . 1 1 66 66 GLN CA C 57 55.650 55.650 55.148 0.502 18223
3954 1 9 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.789 -0.241 18223
3955 1 9 . 1 1 66 66 GLN H H 57 7.625 7.625 8.238 -0.613 18223
3956 1 9 . 1 1 67 67 ASP N N 58 120.090 120.090 123.869 -3.779 18223
3957 1 9 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.439 -2.439 18223
3958 1 9 . 1 1 67 67 ASP H H 58 8.000 8.000 8.766 -0.766 18223
3959 1 9 . 1 1 68 68 PRO C C 59 177.890 177.890 178.641 -0.751 18223
3960 1 9 . 1 1 69 69 ARG N N 60 117.806 117.806 120.298 -2.492 18223
3961 1 9 . 1 1 69 69 ARG C C 60 178.330 178.330 178.552 -0.222 18223
3962 1 9 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.203 -1.308 18223
3963 1 9 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.418 -0.216 18223
3964 1 9 . 1 1 69 69 ARG H H 60 8.402 8.402 8.632 -0.230 18223
3965 1 9 . 1 1 70 70 ASN N N 61 116.920 116.920 117.315 -0.395 18223
3966 1 9 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.344 -1.044 18223
3967 1 9 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.051 0.016 18223
3968 1 9 . 1 1 70 70 ASN H H 61 7.930 7.930 8.373 -0.443 18223
3969 1 9 . 1 1 71 71 VAL N N 62 120.795 120.795 120.991 -0.196 18223
3970 1 9 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.749 -0.822 18223
3971 1 9 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.347 -0.353 18223
3972 1 9 . 1 1 71 71 VAL H H 62 7.783 7.783 7.618 0.165 18223
3973 1 9 . 1 1 72 72 TRP N N 63 120.550 120.550 121.673 -1.123 18223
3974 1 9 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.275 0.142 18223
3975 1 9 . 1 1 72 72 TRP C C 63 177.850 177.850 178.546 -0.696 18223
3976 1 9 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.219 -2.089 18223
3977 1 9 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.057 0.256 18223
3978 1 9 . 1 1 72 72 TRP H H 63 7.760 7.760 8.463 -0.703 18223
3979 1 9 . 1 1 73 73 VAL N N 64 117.896 117.896 118.354 -0.458 18223
3980 1 9 . 1 1 73 73 VAL C C 64 179.270 179.270 178.286 0.984 18223
3981 1 9 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.672 -0.142 18223
3982 1 9 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.361 -0.053 18223
3983 1 9 . 1 1 73 73 VAL H H 64 7.905 7.905 8.004 -0.099 18223
3984 1 9 . 1 1 74 74 PHE N N 65 122.086 122.086 118.956 3.130 18223
3985 1 9 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.198 0.027 18223
3986 1 9 . 1 1 74 74 PHE C C 65 177.760 177.760 177.403 0.357 18223
3987 1 9 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.257 -0.967 18223
3988 1 9 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.887 -0.327 18223
3989 1 9 . 1 1 74 74 PHE H H 65 7.857 7.857 8.079 -0.222 18223
3990 1 9 . 1 1 75 75 LEU N N 66 121.304 121.304 121.905 -0.601 18223
3991 1 9 . 1 1 75 75 LEU C C 66 179.060 179.060 178.765 0.295 18223
3992 1 9 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.365 -0.565 18223
3993 1 9 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.882 -0.582 18223
3994 1 9 . 1 1 75 75 LEU H H 66 8.326 8.326 8.203 0.123 18223
3995 1 9 . 1 1 76 76 ALA N N 67 120.420 120.420 119.889 0.531 18223
3996 1 9 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.824 0.572 18223
3997 1 9 . 1 1 76 76 ALA C C 67 180.180 180.180 179.187 0.993 18223
3998 1 9 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.043 -0.453 18223
3999 1 9 . 1 1 76 76 ALA H H 67 8.283 8.283 7.927 0.356 18223
4000 1 9 . 1 1 77 77 THR N N 68 111.152 111.152 115.958 -4.806 18223
4001 1 9 . 1 1 77 77 THR C C 68 175.830 175.830 176.820 -0.990 18223
4002 1 9 . 1 1 77 77 THR CA C 68 64.159 64.159 67.022 -2.863 18223
4003 1 9 . 1 1 77 77 THR CB C 68 69.711 69.711 68.598 1.113 18223
4004 1 9 . 1 1 77 77 THR H H 68 7.951 7.951 7.945 0.006 18223
4005 1 9 . 1 1 78 78 SER N N 69 117.883 117.883 116.210 1.673 18223
4006 1 9 . 1 1 78 78 SER C C 69 176.000 176.000 177.155 -1.155 18223
4007 1 9 . 1 1 78 78 SER CA C 69 60.730 60.730 61.671 -0.941 18223
4008 1 9 . 1 1 78 78 SER H H 69 7.839 7.839 8.005 -0.166 18223
4009 1 9 . 1 1 79 79 GLY N N 70 111.078 111.078 110.555 0.523 18223
4010 1 9 . 1 1 79 79 GLY C C 70 175.830 175.830 175.583 0.247 18223
4011 1 9 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.407 -0.697 18223
4012 1 9 . 1 1 79 79 GLY H H 70 8.269 8.269 8.067 0.202 18223
4013 1 9 . 1 1 80 80 THR N N 71 117.727 117.727 116.965 0.762 18223
4014 1 9 . 1 1 80 80 THR C C 71 176.110 176.110 176.650 -0.540 18223
4015 1 9 . 1 1 80 80 THR CA C 71 66.178 66.178 65.108 1.070 18223
4016 1 9 . 1 1 80 80 THR CB C 71 68.630 68.630 68.884 -0.254 18223
4017 1 9 . 1 1 80 80 THR H H 71 7.823 7.823 7.763 0.060 18223
4018 1 9 . 1 1 81 81 LEU N N 72 121.422 121.422 121.557 -0.135 18223
4019 1 9 . 1 1 81 81 LEU C C 72 178.620 178.620 178.222 0.398 18223
4020 1 9 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.217 -0.527 18223
4021 1 9 . 1 1 81 81 LEU H H 72 7.846 7.846 8.205 -0.359 18223
4022 1 9 . 1 1 82 82 ALA N N 73 121.160 121.160 119.326 1.834 18223
4023 1 9 . 1 1 82 82 ALA C C 73 180.440 180.440 179.379 1.061 18223
4024 1 9 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.208 0.972 18223
4025 1 9 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.407 -0.542 18223
4026 1 9 . 1 1 82 82 ALA H H 73 8.050 8.050 7.964 0.086 18223
4027 1 9 . 1 1 83 83 GLY N N 74 106.017 106.017 108.581 -2.564 18223
4028 1 9 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.835 0.175 18223
4029 1 9 . 1 1 83 83 GLY H H 74 8.132 8.132 7.784 0.348 18223
4030 1 9 . 1 1 84 84 ILE N N 75 122.030 122.030 120.449 1.581 18223
4031 1 9 . 1 1 84 84 ILE C C 75 178.530 178.530 177.143 1.387 18223
4032 1 9 . 1 1 84 84 ILE CA C 75 64.730 64.730 62.152 2.578 18223
4033 1 9 . 1 1 84 84 ILE CB C 75 37.767 37.767 37.345 0.422 18223
4034 1 9 . 1 1 84 84 ILE H H 75 7.930 7.930 7.936 -0.006 18223
4035 1 9 . 1 1 85 85 MET N N 76 117.920 117.920 118.157 -0.237 18223
4036 1 9 . 1 1 85 85 MET CA C 76 57.810 57.810 56.724 1.086 18223
4037 1 9 . 1 1 85 85 MET H H 76 8.140 8.140 7.575 0.565 18223
4038 1 9 . 1 1 86 86 GLY N N 77 109.118 109.118 107.953 1.165 18223
4039 1 9 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.887 0.884 18223
4040 1 9 . 1 1 86 86 GLY H H 77 7.920 7.920 8.278 -0.358 18223
4041 1 9 . 1 1 87 87 MET N N 78 119.220 119.220 121.204 -1.984 18223
4042 1 9 . 1 1 87 87 MET CA C 78 55.810 55.810 54.761 1.049 18223
4043 1 9 . 1 1 87 87 MET H H 78 7.950 7.950 8.284 -0.334 18223
4044 1 9 . 1 1 88 88 ARG N N 79 120.090 120.090 123.486 -3.396 18223
4045 1 9 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.511 -3.511 18223
4046 1 9 . 1 1 88 88 ARG H H 79 8.000 8.000 8.377 -0.377 18223
4047 1 9 . 1 1 90 90 TYR C C 81 176.310 176.310 175.455 0.855 18223
4048 1 9 . 1 1 91 91 HIS N N 82 118.270 118.270 124.098 -5.828 18223
4049 1 9 . 1 1 91 91 HIS C C 82 174.940 174.940 176.453 -1.513 18223
4050 1 9 . 1 1 91 91 HIS CA C 82 55.850 55.850 57.898 -2.048 18223
4051 1 9 . 1 1 91 91 HIS H H 82 8.130 8.130 8.841 -0.711 18223
4052 1 9 . 1 1 92 92 SER N N 83 115.818 115.818 113.297 2.521 18223
4053 1 9 . 1 1 92 92 SER C C 83 175.470 175.470 174.028 1.442 18223
4054 1 9 . 1 1 92 92 SER CA C 83 59.430 59.430 58.692 0.738 18223
4055 1 9 . 1 1 92 92 SER CB C 83 63.870 63.870 62.592 1.278 18223
4056 1 9 . 1 1 92 92 SER H H 83 8.007 8.007 8.735 -0.728 18223
4057 1 9 . 1 1 93 93 GLY N N 84 110.518 110.518 106.751 3.767 18223
4058 1 9 . 1 1 93 93 GLY C C 84 174.740 174.740 174.419 0.321 18223
4059 1 9 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.400 0.530 18223
4060 1 9 . 1 1 93 93 GLY H H 84 8.099 8.099 8.653 -0.554 18223
4061 1 9 . 1 1 94 94 LYS N N 85 120.088 120.088 120.792 -0.704 18223
4062 1 9 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.081 0.362 18223
4063 1 9 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.790 -1.431 18223
4064 1 9 . 1 1 94 94 LYS H H 85 7.810 7.810 8.051 -0.241 18223
4065 1 9 . 1 1 95 95 PHE N N 86 118.766 118.766 119.399 -0.633 18223
4066 1 9 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.923 -1.113 18223
4067 1 9 . 1 1 95 95 PHE CB C 86 39.281 39.281 37.450 1.831 18223
4068 1 9 . 1 1 95 95 PHE H H 86 7.911 7.911 8.412 -0.501 18223
4069 1 9 . 1 1 96 96 MET N N 87 120.600 120.600 121.174 -0.574 18223
4070 1 9 . 1 1 96 96 MET CA C 87 53.150 53.150 56.089 -2.938 18223
4071 1 9 . 1 1 96 96 MET H H 87 7.670 7.670 8.347 -0.677 18223
4072 1 9 . 1 1 97 97 PRO C C 88 176.820 176.820 175.867 0.953 18223
4073 1 9 . 1 1 98 98 ALA N N 89 124.300 124.300 121.580 2.720 18223
4074 1 9 . 1 1 98 98 ALA C C 89 179.480 179.480 177.974 1.506 18223
4075 1 9 . 1 1 98 98 ALA CA C 89 53.390 53.390 51.273 2.117 18223
4076 1 9 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.087 -1.285 18223
4077 1 9 . 1 1 98 98 ALA H H 89 8.302 8.302 7.771 0.531 18223
4078 1 9 . 1 1 99 99 GLY N N 90 107.011 107.011 112.404 -5.393 18223
4079 1 9 . 1 1 99 99 GLY C C 90 174.920 174.920 174.123 0.797 18223
4080 1 9 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.952 0.928 18223
4081 1 9 . 1 1 99 99 GLY H H 90 8.341 8.341 8.929 -0.588 18223
4082 1 9 . 1 1 100 100 LEU N N 91 120.873 120.873 123.069 -2.196 18223
4083 1 9 . 1 1 100 100 LEU C C 91 177.250 177.250 178.383 -1.133 18223
4084 1 9 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.554 -1.454 18223
4085 1 9 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.134 -0.040 18223
4086 1 9 . 1 1 100 100 LEU H H 91 7.732 7.732 7.837 -0.105 18223
4087 1 9 . 1 1 101 101 ILE N N 92 118.245 118.245 118.654 -0.409 18223
4088 1 9 . 1 1 101 101 ILE C C 92 177.130 177.130 177.145 -0.015 18223
4089 1 9 . 1 1 101 101 ILE CA C 92 60.914 60.914 62.808 -1.894 18223
4090 1 9 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.102 1.026 18223
4091 1 9 . 1 1 101 101 ILE H H 92 7.668 7.668 8.487 -0.819 18223
4092 1 9 . 1 1 102 102 ALA N N 93 127.523 127.523 122.115 5.408 18223
4093 1 9 . 1 1 102 102 ALA C C 93 179.370 179.370 179.603 -0.233 18223
4094 1 9 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.280 -2.442 18223
4095 1 9 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.249 0.770 18223
4096 1 9 . 1 1 102 102 ALA H H 93 8.110 8.110 8.499 -0.389 18223
4097 1 9 . 1 1 103 103 GLY N N 94 109.013 109.013 107.467 1.546 18223
4098 1 9 . 1 1 103 103 GLY C C 94 175.290 175.290 175.951 -0.661 18223
4099 1 9 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.050 -1.630 18223
4100 1 9 . 1 1 103 103 GLY H H 94 8.180 8.180 7.920 0.260 18223
4101 1 9 . 1 1 104 104 ALA N N 95 123.130 123.130 123.745 -0.615 18223
4102 1 9 . 1 1 104 104 ALA C C 95 180.040 180.040 179.632 0.408 18223
4103 1 9 . 1 1 104 104 ALA H H 95 8.230 8.230 8.167 0.063 18223
4104 1 9 . 1 1 105 105 SER N N 96 114.606 114.606 114.438 0.168 18223
4105 1 9 . 1 1 105 105 SER C C 96 176.140 176.140 176.855 -0.715 18223
4106 1 9 . 1 1 105 105 SER H H 96 7.915 7.915 7.722 0.193 18223
4107 1 9 . 1 1 106 106 LEU N N 97 122.651 122.651 123.179 -0.528 18223
4108 1 9 . 1 1 106 106 LEU C C 97 179.140 179.140 178.040 1.100 18223
4109 1 9 . 1 1 106 106 LEU H H 97 8.066 8.066 8.059 0.007 18223
4110 1 9 . 1 1 108 108 MET N N 99 118.381 118.381 118.904 -0.523 18223
4111 1 9 . 1 1 108 108 MET C C 99 178.830 178.830 178.494 0.336 18223
4112 1 9 . 1 1 108 108 MET CA C 99 58.730 58.730 59.523 -0.793 18223
4113 1 9 . 1 1 108 108 MET H H 99 7.682 7.682 8.240 -0.558 18223
4114 1 9 . 1 1 109 109 VAL N N 100 118.713 118.713 119.373 -0.660 18223
4115 1 9 . 1 1 109 109 VAL C C 100 177.930 177.930 177.383 0.547 18223
4116 1 9 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.615 -0.385 18223
4117 1 9 . 1 1 109 109 VAL H H 100 7.821 7.821 8.151 -0.330 18223
4118 1 9 . 1 1 110 110 ALA N N 101 122.160 122.160 122.066 0.094 18223
4119 1 9 . 1 1 110 110 ALA C C 101 180.470 180.470 179.327 1.143 18223
4120 1 9 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.449 -0.109 18223
4121 1 9 . 1 1 110 110 ALA H H 101 8.110 8.110 7.934 0.176 18223
4122 1 9 . 1 1 111 111 LYS N N 102 120.260 120.260 118.127 2.133 18223
4123 1 9 . 1 1 111 111 LYS C C 102 177.490 177.490 178.601 -1.111 18223
4124 1 9 . 1 1 111 111 LYS CA C 102 57.490 57.490 58.859 -1.369 18223
4125 1 9 . 1 1 111 111 LYS H H 102 7.870 7.870 7.963 -0.093 18223
4126 1 9 . 1 1 112 112 VAL N N 103 120.410 120.410 116.962 3.448 18223
4127 1 9 . 1 1 112 112 VAL C C 103 176.240 176.240 177.345 -1.105 18223
4128 1 9 . 1 1 112 112 VAL CA C 103 65.720 65.720 64.238 1.482 18223
4129 1 9 . 1 1 112 112 VAL H H 103 7.990 7.990 7.808 0.182 18223
4130 1 9 . 1 1 113 113 GLY N N 104 108.926 108.926 107.642 1.284 18223
4131 1 9 . 1 1 113 113 GLY C C 104 175.150 175.150 174.038 1.112 18223
4132 1 9 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.773 1.877 18223
4133 1 9 . 1 1 113 113 GLY H H 104 8.477 8.477 7.525 0.952 18223
4134 1 9 . 1 1 114 114 VAL N N 105 119.350 119.350 119.287 0.063 18223
4135 1 9 . 1 1 114 114 VAL C C 105 178.390 178.390 174.522 3.868 18223
4136 1 9 . 1 1 114 114 VAL CA C 105 66.140 66.140 60.881 5.259 18223
4137 1 9 . 1 1 114 114 VAL H H 105 8.310 8.310 7.943 0.367 18223
4138 1 9 . 1 1 115 115 SER N N 106 115.964 115.964 115.780 0.184 18223
4139 1 9 . 1 1 115 115 SER C C 106 177.250 177.250 174.087 3.163 18223
4140 1 9 . 1 1 115 115 SER CA C 106 61.130 61.130 59.181 1.949 18223
4141 1 9 . 1 1 115 115 SER H H 106 7.815 7.815 8.295 -0.480 18223
4142 1 9 . 1 1 116 116 MET N N 107 120.190 120.190 123.467 -3.277 18223
4143 1 9 . 1 1 116 116 MET C C 107 177.190 177.190 175.134 2.056 18223
4144 1 9 . 1 1 116 116 MET CA C 107 57.450 57.450 57.527 -0.077 18223
4145 1 9 . 1 1 116 116 MET H H 107 7.820 7.820 8.463 -0.643 18223
4146 1 9 . 1 1 117 117 PHE N N 108 117.325 117.325 120.367 -3.042 18223
4147 1 9 . 1 1 117 117 PHE C C 108 175.740 175.740 173.562 2.178 18223
4148 1 9 . 1 1 117 117 PHE CA C 108 58.870 58.870 55.671 3.199 18223
4149 1 9 . 1 1 117 117 PHE H H 108 7.735 7.735 8.011 -0.276 18223
4150 1 9 . 1 1 118 118 ASN N N 109 118.878 118.878 121.997 -3.119 18223
4151 1 9 . 1 1 118 118 ASN C C 109 174.830 174.830 175.004 -0.174 18223
4152 1 9 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.159 0.901 18223
4153 1 9 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.538 -0.473 18223
4154 1 9 . 1 1 118 118 ASN H H 109 7.907 7.907 8.258 -0.351 18223
4155 1 9 . 1 1 119 119 ARG N N 110 122.870 122.870 122.272 0.598 18223
4156 1 9 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.802 -0.652 18223
4157 1 9 . 1 1 119 119 ARG H H 110 7.894 7.894 8.569 -0.675 18223
4158 1 9 . 1 1 120 120 PRO C C 111 176.590 176.590 177.431 -0.841 18223
4159 1 10 . 1 1 11 11 GLN C C 2 176.170 176.170 173.850 2.320 18223
4160 1 10 . 1 1 12 12 ASP N N 3 120.369 120.369 121.290 -0.921 18223
4161 1 10 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.753 -0.603 18223
4162 1 10 . 1 1 12 12 ASP C C 3 176.980 176.980 175.706 1.274 18223
4163 1 10 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.252 1.585 18223
4164 1 10 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.447 -1.651 18223
4165 1 10 . 1 1 12 12 ASP H H 3 8.275 8.275 8.116 0.159 18223
4166 1 10 . 1 1 13 13 THR N N 4 114.220 114.220 114.094 0.126 18223
4167 1 10 . 1 1 13 13 THR HA H 4 4.636 4.636 4.056 0.580 18223
4168 1 10 . 1 1 13 13 THR C C 4 175.530 175.530 173.882 1.648 18223
4169 1 10 . 1 1 13 13 THR CA C 4 62.790 62.790 62.948 -0.158 18223
4170 1 10 . 1 1 13 13 THR CB C 4 69.134 69.134 69.104 0.030 18223
4171 1 10 . 1 1 13 13 THR H H 4 7.990 7.990 7.997 -0.007 18223
4172 1 10 . 1 1 14 14 SER N N 5 117.664 117.664 115.743 1.921 18223
4173 1 10 . 1 1 14 14 SER HA H 5 4.296 4.296 4.189 0.107 18223
4174 1 10 . 1 1 14 14 SER C C 5 175.200 175.200 175.746 -0.546 18223
4175 1 10 . 1 1 14 14 SER CA C 5 59.443 59.443 58.772 0.671 18223
4176 1 10 . 1 1 14 14 SER CB C 5 63.438 63.438 63.505 -0.067 18223
4177 1 10 . 1 1 14 14 SER H H 5 8.255 8.255 8.289 -0.034 18223
4178 1 10 . 1 1 15 15 SER N N 6 117.093 117.093 121.040 -3.947 18223
4179 1 10 . 1 1 15 15 SER HA H 6 4.317 4.317 4.165 0.152 18223
4180 1 10 . 1 1 15 15 SER C C 6 174.770 174.770 174.586 0.184 18223
4181 1 10 . 1 1 15 15 SER CA C 6 58.737 58.737 60.946 -2.209 18223
4182 1 10 . 1 1 15 15 SER CB C 6 63.656 63.656 63.432 0.224 18223
4183 1 10 . 1 1 15 15 SER H H 6 8.050 8.050 8.701 -0.651 18223
4184 1 10 . 1 1 16 16 VAL N N 7 119.995 119.995 112.448 7.547 18223
4185 1 10 . 1 1 16 16 VAL C C 7 176.150 176.150 175.060 1.090 18223
4186 1 10 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.486 0.257 18223
4187 1 10 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.988 -0.773 18223
4188 1 10 . 1 1 16 16 VAL H H 7 7.775 7.775 7.537 0.238 18223
4189 1 10 . 1 1 17 17 VAL N N 8 121.090 121.090 116.222 4.868 18223
4190 1 10 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.159 1.751 18223
4191 1 10 . 1 1 17 17 VAL H H 8 7.730 7.730 7.731 -0.001 18223
4192 1 10 . 1 1 18 18 PRO C C 9 178.410 178.410 177.664 0.746 18223
4193 1 10 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.068 1.442 18223
4194 1 10 . 1 1 19 19 LEU N N 10 121.410 121.410 121.598 -0.188 18223
4195 1 10 . 1 1 19 19 LEU C C 10 178.910 178.910 178.538 0.372 18223
4196 1 10 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.273 -2.423 18223
4197 1 10 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.778 -0.333 18223
4198 1 10 . 1 1 19 19 LEU H H 10 7.930 7.930 8.402 -0.472 18223
4199 1 10 . 1 1 20 20 HIS N N 11 116.900 116.900 117.002 -0.102 18223
4200 1 10 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.355 0.276 18223
4201 1 10 . 1 1 20 20 HIS C C 11 174.990 174.990 178.080 -3.090 18223
4202 1 10 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.006 -3.006 18223
4203 1 10 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.453 -1.494 18223
4204 1 10 . 1 1 20 20 HIS H H 11 8.384 8.384 8.493 -0.109 18223
4205 1 10 . 1 1 21 21 TRP C C 12 177.660 177.660 179.038 -1.378 18223
4206 1 10 . 1 1 22 22 PHE N N 13 119.238 119.238 118.660 0.578 18223
4207 1 10 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.079 0.209 18223
4208 1 10 . 1 1 22 22 PHE C C 13 177.410 177.410 177.903 -0.493 18223
4209 1 10 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.695 -1.997 18223
4210 1 10 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.713 -0.369 18223
4211 1 10 . 1 1 22 22 PHE H H 13 7.883 7.883 9.164 -1.281 18223
4212 1 10 . 1 1 23 23 GLY N N 14 107.209 107.209 105.528 1.681 18223
4213 1 10 . 1 1 23 23 GLY C C 14 176.220 176.220 175.562 0.658 18223
4214 1 10 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.427 -0.347 18223
4215 1 10 . 1 1 23 23 GLY H H 14 7.911 7.911 8.499 -0.588 18223
4216 1 10 . 1 1 24 24 PHE N N 15 121.880 121.880 123.180 -1.300 18223
4217 1 10 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.223 0.190 18223
4218 1 10 . 1 1 24 24 PHE C C 15 177.840 177.840 177.293 0.547 18223
4219 1 10 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.077 0.013 18223
4220 1 10 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.899 -0.050 18223
4221 1 10 . 1 1 24 24 PHE H H 15 7.900 7.900 7.681 0.219 18223
4222 1 10 . 1 1 25 25 GLY N N 16 107.640 107.640 107.370 0.270 18223
4223 1 10 . 1 1 25 25 GLY C C 16 174.910 174.910 175.512 -0.602 18223
4224 1 10 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.038 0.291 18223
4225 1 10 . 1 1 25 25 GLY H H 16 8.320 8.320 8.622 -0.302 18223
4226 1 10 . 1 1 26 26 TYR N N 17 121.804 121.804 123.371 -1.567 18223
4227 1 10 . 1 1 26 26 TYR C C 17 177.120 177.120 177.079 0.041 18223
4228 1 10 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.583 0.087 18223
4229 1 10 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.458 -0.057 18223
4230 1 10 . 1 1 26 26 TYR H H 17 8.365 8.365 8.165 0.200 18223
4231 1 10 . 1 1 27 27 ALA N N 18 120.785 120.785 120.458 0.327 18223
4232 1 10 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.900 -0.017 18223
4233 1 10 . 1 1 27 27 ALA C C 18 178.790 178.790 179.129 -0.339 18223
4234 1 10 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.046 -0.006 18223
4235 1 10 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.868 -0.147 18223
4236 1 10 . 1 1 27 27 ALA H H 18 7.949 7.949 8.206 -0.257 18223
4237 1 10 . 1 1 28 28 ALA N N 19 120.210 120.210 120.307 -0.097 18223
4238 1 10 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.226 0.624 18223
4239 1 10 . 1 1 28 28 ALA CB C 19 17.721 17.721 17.934 -0.213 18223
4240 1 10 . 1 1 28 28 ALA H H 19 7.870 7.870 7.920 -0.050 18223
4241 1 10 . 1 1 29 29 LEU N N 20 120.090 120.090 120.483 -0.393 18223
4242 1 10 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.029 -6.029 18223
4243 1 10 . 1 1 29 29 LEU H H 20 8.000 8.000 7.567 0.433 18223
4244 1 10 . 1 1 30 30 VAL N N 21 118.299 118.299 119.540 -1.241 18223
4245 1 10 . 1 1 30 30 VAL C C 21 178.920 178.920 178.086 0.834 18223
4246 1 10 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.418 -0.798 18223
4247 1 10 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.795 0.482 18223
4248 1 10 . 1 1 30 30 VAL H H 21 7.947 7.947 7.916 0.031 18223
4249 1 10 . 1 1 31 31 ALA N N 22 122.600 122.600 120.697 1.903 18223
4250 1 10 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.926 0.247 18223
4251 1 10 . 1 1 31 31 ALA C C 22 179.540 179.540 179.560 -0.020 18223
4252 1 10 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.158 -0.950 18223
4253 1 10 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.907 0.534 18223
4254 1 10 . 1 1 31 31 ALA H H 22 7.819 7.819 8.037 -0.218 18223
4255 1 10 . 1 1 32 32 SER N N 23 113.502 113.502 115.048 -1.546 18223
4256 1 10 . 1 1 32 32 SER HA H 23 4.015 4.015 3.998 0.017 18223
4257 1 10 . 1 1 32 32 SER C C 23 175.890 175.890 176.902 -1.012 18223
4258 1 10 . 1 1 32 32 SER CA C 23 60.490 60.490 61.749 -1.259 18223
4259 1 10 . 1 1 32 32 SER CB C 23 63.510 63.510 62.962 0.548 18223
4260 1 10 . 1 1 32 32 SER H H 23 7.826 7.826 8.201 -0.375 18223
4261 1 10 . 1 1 33 33 GLY N N 24 109.939 109.939 108.423 1.516 18223
4262 1 10 . 1 1 33 33 GLY C C 24 176.180 176.180 175.251 0.929 18223
4263 1 10 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.740 -0.090 18223
4264 1 10 . 1 1 33 33 GLY H H 24 7.985 7.985 8.495 -0.510 18223
4265 1 10 . 1 1 34 34 GLY N N 25 109.396 109.396 110.005 -0.609 18223
4266 1 10 . 1 1 34 34 GLY C C 25 175.330 175.330 175.969 -0.639 18223
4267 1 10 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.441 -0.271 18223
4268 1 10 . 1 1 34 34 GLY H H 25 8.235 8.235 7.703 0.532 18223
4269 1 10 . 1 1 35 35 ILE N N 26 120.211 120.211 123.248 -3.037 18223
4270 1 10 . 1 1 35 35 ILE C C 26 177.400 177.400 178.336 -0.936 18223
4271 1 10 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.383 -1.553 18223
4272 1 10 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.121 -0.282 18223
4273 1 10 . 1 1 35 35 ILE H H 26 7.998 7.998 7.998 -0.000 18223
4274 1 10 . 1 1 36 36 ILE N N 27 120.051 120.051 118.847 1.204 18223
4275 1 10 . 1 1 36 36 ILE C C 27 177.900 177.900 177.528 0.372 18223
4276 1 10 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.686 -0.836 18223
4277 1 10 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.041 -0.211 18223
4278 1 10 . 1 1 36 36 ILE H H 27 7.998 7.998 8.708 -0.710 18223
4279 1 10 . 1 1 37 37 GLY N N 28 107.531 107.531 108.100 -0.569 18223
4280 1 10 . 1 1 37 37 GLY C C 28 176.120 176.120 176.465 -0.345 18223
4281 1 10 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.671 0.129 18223
4282 1 10 . 1 1 37 37 GLY H H 28 7.983 7.983 7.242 0.741 18223
4283 1 10 . 1 1 38 38 TYR N N 29 120.900 120.900 122.268 -1.368 18223
4284 1 10 . 1 1 38 38 TYR C C 29 176.530 176.530 177.573 -1.043 18223
4285 1 10 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.262 -0.532 18223
4286 1 10 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.607 -0.119 18223
4287 1 10 . 1 1 38 38 TYR H H 29 7.726 7.726 8.139 -0.413 18223
4288 1 10 . 1 1 39 39 VAL N N 30 117.958 117.958 114.742 3.216 18223
4289 1 10 . 1 1 39 39 VAL C C 30 177.600 177.600 176.653 0.947 18223
4290 1 10 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.862 0.513 18223
4291 1 10 . 1 1 39 39 VAL CB C 30 31.421 31.421 31.934 -0.513 18223
4292 1 10 . 1 1 39 39 VAL H H 30 7.849 7.849 8.141 -0.292 18223
4293 1 10 . 1 1 40 40 LYS N N 31 120.116 120.116 117.062 3.054 18223
4294 1 10 . 1 1 40 40 LYS C C 31 177.090 177.090 176.371 0.719 18223
4295 1 10 . 1 1 40 40 LYS CA C 31 57.770 57.770 59.218 -1.448 18223
4296 1 10 . 1 1 40 40 LYS CB C 31 32.215 32.215 30.489 1.726 18223
4297 1 10 . 1 1 40 40 LYS H H 31 8.072 8.072 8.056 0.016 18223
4298 1 10 . 1 1 41 41 ALA N N 32 122.082 122.082 121.287 0.795 18223
4299 1 10 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.297 -0.056 18223
4300 1 10 . 1 1 41 41 ALA C C 32 178.780 178.780 177.971 0.809 18223
4301 1 10 . 1 1 41 41 ALA CA C 32 53.260 53.260 54.351 -1.091 18223
4302 1 10 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.896 -1.166 18223
4303 1 10 . 1 1 41 41 ALA H H 32 7.786 7.786 8.360 -0.574 18223
4304 1 10 . 1 1 42 42 GLY N N 33 106.746 106.746 101.782 4.964 18223
4305 1 10 . 1 1 42 42 GLY C C 33 174.790 174.790 173.726 1.064 18223
4306 1 10 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.722 1.097 18223
4307 1 10 . 1 1 42 42 GLY H H 33 7.964 7.964 8.229 -0.265 18223
4308 1 10 . 1 1 43 43 SER N N 34 115.541 115.541 112.695 2.846 18223
4309 1 10 . 1 1 43 43 SER HA H 34 4.491 4.491 4.262 0.229 18223
4310 1 10 . 1 1 43 43 SER C C 34 174.920 174.920 174.448 0.472 18223
4311 1 10 . 1 1 43 43 SER CA C 34 58.730 58.730 58.211 0.520 18223
4312 1 10 . 1 1 43 43 SER CB C 34 63.798 63.798 63.682 0.116 18223
4313 1 10 . 1 1 43 43 SER H H 34 8.049 8.049 7.738 0.311 18223
4314 1 10 . 1 1 44 44 VAL N N 35 121.887 121.887 124.250 -2.363 18223
4315 1 10 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.307 -0.977 18223
4316 1 10 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.028 -1.698 18223
4317 1 10 . 1 1 44 44 VAL H H 35 8.332 8.332 8.657 -0.325 18223
4318 1 10 . 1 1 46 46 SER N N 37 113.762 113.762 113.964 -0.202 18223
4319 1 10 . 1 1 46 46 SER CA C 37 61.130 61.130 61.578 -0.448 18223
4320 1 10 . 1 1 46 46 SER CB C 37 62.789 62.789 62.770 0.019 18223
4321 1 10 . 1 1 46 46 SER H H 37 7.924 7.924 7.878 0.046 18223
4322 1 10 . 1 1 47 47 LEU N N 38 124.450 124.450 121.587 2.863 18223
4323 1 10 . 1 1 47 47 LEU C C 38 176.440 176.440 177.938 -1.498 18223
4324 1 10 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.637 -0.277 18223
4325 1 10 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.703 0.102 18223
4326 1 10 . 1 1 47 47 LEU H H 38 8.108 8.108 7.497 0.611 18223
4327 1 10 . 1 1 48 48 ALA N N 39 121.290 121.290 121.128 0.162 18223
4328 1 10 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.146 -0.536 18223
4329 1 10 . 1 1 48 48 ALA H H 39 8.250 8.250 7.690 0.560 18223
4330 1 10 . 1 1 49 49 ALA N N 40 120.070 120.070 119.618 0.452 18223
4331 1 10 . 1 1 49 49 ALA C C 40 179.910 179.910 179.584 0.326 18223
4332 1 10 . 1 1 49 49 ALA CA C 40 55.110 55.110 55.046 0.064 18223
4333 1 10 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.210 -0.129 18223
4334 1 10 . 1 1 49 49 ALA H H 40 8.145 8.145 8.433 -0.288 18223
4335 1 10 . 1 1 50 50 GLY N N 41 104.977 104.977 107.741 -2.764 18223
4336 1 10 . 1 1 50 50 GLY C C 41 174.870 174.870 176.476 -1.606 18223
4337 1 10 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.767 0.158 18223
4338 1 10 . 1 1 50 50 GLY H H 41 8.103 8.103 7.462 0.641 18223
4339 1 10 . 1 1 51 51 LEU N N 42 122.431 122.431 123.256 -0.825 18223
4340 1 10 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.708 -0.378 18223
4341 1 10 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.049 -0.244 18223
4342 1 10 . 1 1 51 51 LEU H H 42 7.796 7.796 8.060 -0.264 18223
4343 1 10 . 1 1 52 52 LEU N N 43 119.483 119.483 119.865 -0.382 18223
4344 1 10 . 1 1 52 52 LEU C C 43 179.910 179.910 179.194 0.716 18223
4345 1 10 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.984 -1.214 18223
4346 1 10 . 1 1 52 52 LEU CB C 43 41.372 41.372 42.029 -0.657 18223
4347 1 10 . 1 1 52 52 LEU H H 43 7.862 7.862 8.000 -0.138 18223
4348 1 10 . 1 1 53 53 PHE N N 44 117.117 117.117 118.276 -1.159 18223
4349 1 10 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.290 0.081 18223
4350 1 10 . 1 1 53 53 PHE C C 44 178.530 178.530 177.764 0.766 18223
4351 1 10 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.144 -0.994 18223
4352 1 10 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.552 -0.424 18223
4353 1 10 . 1 1 53 53 PHE H H 44 8.343 8.343 8.365 -0.022 18223
4354 1 10 . 1 1 54 54 GLY N N 45 107.605 107.605 107.297 0.308 18223
4355 1 10 . 1 1 54 54 GLY C C 45 176.400 176.400 176.085 0.315 18223
4356 1 10 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.623 -0.874 18223
4357 1 10 . 1 1 54 54 GLY H H 45 8.150 8.150 7.418 0.732 18223
4358 1 10 . 1 1 55 55 SER N N 46 117.713 117.713 118.425 -0.712 18223
4359 1 10 . 1 1 55 55 SER C C 46 176.130 176.130 176.808 -0.678 18223
4360 1 10 . 1 1 55 55 SER CA C 46 61.240 61.240 61.671 -0.431 18223
4361 1 10 . 1 1 55 55 SER CB C 46 63.294 63.294 62.633 0.661 18223
4362 1 10 . 1 1 55 55 SER H H 46 7.942 7.942 7.981 -0.039 18223
4363 1 10 . 1 1 56 56 LEU N N 47 121.618 121.618 123.048 -1.430 18223
4364 1 10 . 1 1 56 56 LEU C C 47 178.510 178.510 177.776 0.734 18223
4365 1 10 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.038 -0.278 18223
4366 1 10 . 1 1 56 56 LEU CB C 47 41.156 41.156 40.909 0.247 18223
4367 1 10 . 1 1 56 56 LEU H H 47 7.910 7.910 8.134 -0.224 18223
4368 1 10 . 1 1 57 57 ALA N N 48 121.557 121.557 121.295 0.262 18223
4369 1 10 . 1 1 57 57 ALA C C 48 180.040 180.040 179.421 0.619 18223
4370 1 10 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.770 -0.220 18223
4371 1 10 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.516 -0.435 18223
4372 1 10 . 1 1 57 57 ALA H H 48 7.878 7.878 8.013 -0.135 18223
4373 1 10 . 1 1 58 58 GLY N N 49 106.435 106.435 108.063 -1.628 18223
4374 1 10 . 1 1 58 58 GLY C C 49 175.740 175.740 176.771 -1.031 18223
4375 1 10 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.469 -1.189 18223
4376 1 10 . 1 1 58 58 GLY H H 49 8.085 8.085 8.299 -0.214 18223
4377 1 10 . 1 1 59 59 LEU N N 50 121.230 121.230 121.610 -0.380 18223
4378 1 10 . 1 1 59 59 LEU C C 50 178.390 178.390 179.850 -1.460 18223
4379 1 10 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.642 -1.212 18223
4380 1 10 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.345 0.316 18223
4381 1 10 . 1 1 59 59 LEU H H 50 7.770 7.770 8.464 -0.694 18223
4382 1 10 . 1 1 60 60 GLY N N 51 106.525 106.525 107.266 -0.741 18223
4383 1 10 . 1 1 60 60 GLY C C 51 174.820 174.820 175.629 -0.809 18223
4384 1 10 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.361 -1.071 18223
4385 1 10 . 1 1 60 60 GLY H H 51 8.090 8.090 7.827 0.263 18223
4386 1 10 . 1 1 61 61 ALA N N 52 122.773 122.773 122.922 -0.149 18223
4387 1 10 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.152 -0.050 18223
4388 1 10 . 1 1 61 61 ALA C C 52 178.320 178.320 176.554 1.766 18223
4389 1 10 . 1 1 61 61 ALA CA C 52 53.420 53.420 52.758 0.662 18223
4390 1 10 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.653 -1.211 18223
4391 1 10 . 1 1 61 61 ALA H H 52 7.819 7.819 8.379 -0.560 18223
4392 1 10 . 1 1 62 62 TYR N N 53 118.481 118.481 117.755 0.726 18223
4393 1 10 . 1 1 62 62 TYR C C 53 176.390 176.390 174.510 1.880 18223
4394 1 10 . 1 1 62 62 TYR CA C 53 59.000 59.000 55.827 3.173 18223
4395 1 10 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.911 0.433 18223
4396 1 10 . 1 1 62 62 TYR H H 53 7.794 7.794 7.801 -0.007 18223
4397 1 10 . 1 1 63 63 GLN N N 54 120.770 120.770 118.875 1.895 18223
4398 1 10 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.984 -0.424 18223
4399 1 10 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.447 -2.799 18223
4400 1 10 . 1 1 63 63 GLN H H 54 8.033 8.033 7.744 0.289 18223
4401 1 10 . 1 1 64 64 LEU N N 55 121.847 121.847 118.476 3.371 18223
4402 1 10 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.494 -0.324 18223
4403 1 10 . 1 1 64 64 LEU C C 55 177.790 177.790 175.228 2.562 18223
4404 1 10 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.450 0.560 18223
4405 1 10 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.656 -1.851 18223
4406 1 10 . 1 1 64 64 LEU H H 55 8.018 8.018 7.844 0.174 18223
4407 1 10 . 1 1 65 65 SER N N 56 113.937 113.937 118.077 -4.140 18223
4408 1 10 . 1 1 65 65 SER C C 56 174.710 174.710 173.352 1.358 18223
4409 1 10 . 1 1 65 65 SER CA C 56 59.050 59.050 59.218 -0.168 18223
4410 1 10 . 1 1 65 65 SER CB C 56 63.554 63.554 63.852 -0.298 18223
4411 1 10 . 1 1 65 65 SER H H 56 7.892 7.892 8.879 -0.987 18223
4412 1 10 . 1 1 66 66 GLN N N 57 120.154 120.154 123.451 -3.297 18223
4413 1 10 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.500 -0.257 18223
4414 1 10 . 1 1 66 66 GLN C C 57 175.760 175.760 174.289 1.471 18223
4415 1 10 . 1 1 66 66 GLN CA C 57 55.650 55.650 55.136 0.514 18223
4416 1 10 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.712 -0.164 18223
4417 1 10 . 1 1 66 66 GLN H H 57 7.625 7.625 7.857 -0.232 18223
4418 1 10 . 1 1 67 67 ASP N N 58 120.090 120.090 125.414 -5.324 18223
4419 1 10 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.806 -2.806 18223
4420 1 10 . 1 1 67 67 ASP H H 58 8.000 8.000 8.804 -0.804 18223
4421 1 10 . 1 1 68 68 PRO C C 59 177.890 177.890 178.341 -0.451 18223
4422 1 10 . 1 1 69 69 ARG N N 60 117.806 117.806 120.261 -2.455 18223
4423 1 10 . 1 1 69 69 ARG C C 60 178.330 178.330 178.042 0.288 18223
4424 1 10 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.308 -1.413 18223
4425 1 10 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.192 0.010 18223
4426 1 10 . 1 1 69 69 ARG H H 60 8.402 8.402 8.493 -0.091 18223
4427 1 10 . 1 1 70 70 ASN N N 61 116.920 116.920 117.981 -1.061 18223
4428 1 10 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.072 -0.772 18223
4429 1 10 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.058 1.009 18223
4430 1 10 . 1 1 70 70 ASN H H 61 7.930 7.930 8.508 -0.578 18223
4431 1 10 . 1 1 71 71 VAL N N 62 120.795 120.795 117.980 2.815 18223
4432 1 10 . 1 1 71 71 VAL CA C 62 65.927 65.927 64.798 1.129 18223
4433 1 10 . 1 1 71 71 VAL CB C 62 30.994 30.994 30.722 0.272 18223
4434 1 10 . 1 1 71 71 VAL H H 62 7.783 7.783 7.478 0.305 18223
4435 1 10 . 1 1 72 72 TRP N N 63 120.550 120.550 122.218 -1.668 18223
4436 1 10 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.261 0.156 18223
4437 1 10 . 1 1 72 72 TRP C C 63 177.850 177.850 178.168 -0.318 18223
4438 1 10 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.761 -1.631 18223
4439 1 10 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.474 -0.161 18223
4440 1 10 . 1 1 72 72 TRP H H 63 7.760 7.760 7.762 -0.002 18223
4441 1 10 . 1 1 73 73 VAL N N 64 117.896 117.896 118.514 -0.618 18223
4442 1 10 . 1 1 73 73 VAL C C 64 179.270 179.270 178.398 0.872 18223
4443 1 10 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.806 -0.276 18223
4444 1 10 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.306 0.002 18223
4445 1 10 . 1 1 73 73 VAL H H 64 7.905 7.905 8.660 -0.755 18223
4446 1 10 . 1 1 74 74 PHE N N 65 122.086 122.086 119.570 2.516 18223
4447 1 10 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.295 -0.070 18223
4448 1 10 . 1 1 74 74 PHE C C 65 177.760 177.760 177.690 0.070 18223
4449 1 10 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.152 -0.862 18223
4450 1 10 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.998 -0.438 18223
4451 1 10 . 1 1 74 74 PHE H H 65 7.857 7.857 8.494 -0.637 18223
4452 1 10 . 1 1 75 75 LEU N N 66 121.304 121.304 120.945 0.359 18223
4453 1 10 . 1 1 75 75 LEU C C 66 179.060 179.060 178.580 0.480 18223
4454 1 10 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.669 0.131 18223
4455 1 10 . 1 1 75 75 LEU CB C 66 41.300 41.300 40.716 0.584 18223
4456 1 10 . 1 1 75 75 LEU H H 66 8.326 8.326 8.325 0.001 18223
4457 1 10 . 1 1 76 76 ALA N N 67 120.420 120.420 119.680 0.740 18223
4458 1 10 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.771 0.625 18223
4459 1 10 . 1 1 76 76 ALA C C 67 180.180 180.180 179.603 0.577 18223
4460 1 10 . 1 1 76 76 ALA CA C 67 54.590 54.590 54.805 -0.215 18223
4461 1 10 . 1 1 76 76 ALA H H 67 8.283 8.283 7.949 0.334 18223
4462 1 10 . 1 1 77 77 THR N N 68 111.152 111.152 115.730 -4.578 18223
4463 1 10 . 1 1 77 77 THR C C 68 175.830 175.830 176.706 -0.876 18223
4464 1 10 . 1 1 77 77 THR CA C 68 64.159 64.159 66.362 -2.203 18223
4465 1 10 . 1 1 77 77 THR CB C 68 69.711 69.711 67.988 1.723 18223
4466 1 10 . 1 1 77 77 THR H H 68 7.951 7.951 7.894 0.057 18223
4467 1 10 . 1 1 78 78 SER N N 69 117.883 117.883 116.646 1.237 18223
4468 1 10 . 1 1 78 78 SER C C 69 176.000 176.000 177.191 -1.191 18223
4469 1 10 . 1 1 78 78 SER CA C 69 60.730 60.730 60.725 0.005 18223
4470 1 10 . 1 1 78 78 SER H H 69 7.839 7.839 8.025 -0.186 18223
4471 1 10 . 1 1 79 79 GLY N N 70 111.078 111.078 110.422 0.656 18223
4472 1 10 . 1 1 79 79 GLY C C 70 175.830 175.830 175.725 0.105 18223
4473 1 10 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.540 -0.830 18223
4474 1 10 . 1 1 79 79 GLY H H 70 8.269 8.269 8.091 0.178 18223
4475 1 10 . 1 1 80 80 THR N N 71 117.727 117.727 118.061 -0.334 18223
4476 1 10 . 1 1 80 80 THR C C 71 176.110 176.110 176.585 -0.475 18223
4477 1 10 . 1 1 80 80 THR CA C 71 66.178 66.178 66.259 -0.081 18223
4478 1 10 . 1 1 80 80 THR CB C 71 68.630 68.630 68.606 0.024 18223
4479 1 10 . 1 1 80 80 THR H H 71 7.823 7.823 7.783 0.040 18223
4480 1 10 . 1 1 81 81 LEU N N 72 121.422 121.422 121.700 -0.278 18223
4481 1 10 . 1 1 81 81 LEU C C 72 178.620 178.620 178.783 -0.163 18223
4482 1 10 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.304 -0.615 18223
4483 1 10 . 1 1 81 81 LEU H H 72 7.846 7.846 8.235 -0.389 18223
4484 1 10 . 1 1 82 82 ALA N N 73 121.160 121.160 119.225 1.935 18223
4485 1 10 . 1 1 82 82 ALA C C 73 180.440 180.440 179.806 0.634 18223
4486 1 10 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.862 1.318 18223
4487 1 10 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.621 -0.756 18223
4488 1 10 . 1 1 82 82 ALA H H 73 8.050 8.050 8.252 -0.202 18223
4489 1 10 . 1 1 83 83 GLY N N 74 106.017 106.017 109.139 -3.122 18223
4490 1 10 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.782 0.228 18223
4491 1 10 . 1 1 83 83 GLY H H 74 8.132 8.132 7.694 0.438 18223
4492 1 10 . 1 1 84 84 ILE N N 75 122.030 122.030 117.447 4.583 18223
4493 1 10 . 1 1 84 84 ILE C C 75 178.530 178.530 176.612 1.918 18223
4494 1 10 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.544 1.186 18223
4495 1 10 . 1 1 84 84 ILE CB C 75 37.767 37.767 37.947 -0.180 18223
4496 1 10 . 1 1 84 84 ILE H H 75 7.930 7.930 7.864 0.066 18223
4497 1 10 . 1 1 85 85 MET N N 76 117.920 117.920 118.890 -0.970 18223
4498 1 10 . 1 1 85 85 MET CA C 76 57.810 57.810 54.520 3.290 18223
4499 1 10 . 1 1 85 85 MET H H 76 8.140 8.140 7.262 0.878 18223
4500 1 10 . 1 1 86 86 GLY N N 77 109.118 109.118 106.037 3.081 18223
4501 1 10 . 1 1 86 86 GLY CA C 77 45.771 45.771 43.967 1.804 18223
4502 1 10 . 1 1 86 86 GLY H H 77 7.920 7.920 8.160 -0.240 18223
4503 1 10 . 1 1 87 87 MET N N 78 119.220 119.220 117.804 1.416 18223
4504 1 10 . 1 1 87 87 MET CA C 78 55.810 55.810 55.609 0.201 18223
4505 1 10 . 1 1 87 87 MET H H 78 7.950 7.950 8.006 -0.056 18223
4506 1 10 . 1 1 88 88 ARG N N 79 120.090 120.090 121.243 -1.153 18223
4507 1 10 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.755 -4.755 18223
4508 1 10 . 1 1 88 88 ARG H H 79 8.000 8.000 8.757 -0.757 18223
4509 1 10 . 1 1 90 90 TYR C C 81 176.310 176.310 174.807 1.503 18223
4510 1 10 . 1 1 91 91 HIS N N 82 118.270 118.270 122.307 -4.037 18223
4511 1 10 . 1 1 91 91 HIS C C 82 174.940 174.940 175.707 -0.767 18223
4512 1 10 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.651 -0.801 18223
4513 1 10 . 1 1 91 91 HIS H H 82 8.130 8.130 8.562 -0.432 18223
4514 1 10 . 1 1 92 92 SER N N 83 115.818 115.818 124.113 -8.295 18223
4515 1 10 . 1 1 92 92 SER C C 83 175.470 175.470 173.849 1.621 18223
4516 1 10 . 1 1 92 92 SER CA C 83 59.430 59.430 57.937 1.493 18223
4517 1 10 . 1 1 92 92 SER CB C 83 63.870 63.870 63.179 0.691 18223
4518 1 10 . 1 1 92 92 SER H H 83 8.007 8.007 8.387 -0.380 18223
4519 1 10 . 1 1 93 93 GLY N N 84 110.518 110.518 109.472 1.046 18223
4520 1 10 . 1 1 93 93 GLY C C 84 174.740 174.740 173.971 0.769 18223
4521 1 10 . 1 1 93 93 GLY CA C 84 45.930 45.930 44.880 1.050 18223
4522 1 10 . 1 1 93 93 GLY H H 84 8.099 8.099 8.061 0.038 18223
4523 1 10 . 1 1 94 94 LYS N N 85 120.088 120.088 125.167 -5.079 18223
4524 1 10 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.154 0.289 18223
4525 1 10 . 1 1 94 94 LYS CB C 85 32.359 32.359 31.359 1.000 18223
4526 1 10 . 1 1 94 94 LYS H H 85 7.810 7.810 8.741 -0.931 18223
4527 1 10 . 1 1 95 95 PHE N N 86 118.766 118.766 120.069 -1.303 18223
4528 1 10 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.036 -0.226 18223
4529 1 10 . 1 1 95 95 PHE CB C 86 39.281 39.281 40.774 -1.493 18223
4530 1 10 . 1 1 95 95 PHE H H 86 7.911 7.911 7.923 -0.012 18223
4531 1 10 . 1 1 96 96 MET N N 87 120.600 120.600 119.719 0.881 18223
4532 1 10 . 1 1 96 96 MET CA C 87 53.150 53.150 56.196 -3.046 18223
4533 1 10 . 1 1 96 96 MET H H 87 7.670 7.670 8.677 -1.007 18223
4534 1 10 . 1 1 97 97 PRO C C 88 176.820 176.820 175.468 1.352 18223
4535 1 10 . 1 1 98 98 ALA N N 89 124.300 124.300 122.111 2.189 18223
4536 1 10 . 1 1 98 98 ALA C C 89 179.480 179.480 176.361 3.119 18223
4537 1 10 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.395 0.994 18223
4538 1 10 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.136 -1.334 18223
4539 1 10 . 1 1 98 98 ALA H H 89 8.302 8.302 8.168 0.134 18223
4540 1 10 . 1 1 99 99 GLY N N 90 107.011 107.011 109.021 -2.010 18223
4541 1 10 . 1 1 99 99 GLY C C 90 174.920 174.920 173.863 1.057 18223
4542 1 10 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.838 1.042 18223
4543 1 10 . 1 1 99 99 GLY H H 90 8.341 8.341 8.078 0.263 18223
4544 1 10 . 1 1 100 100 LEU N N 91 120.873 120.873 126.883 -6.010 18223
4545 1 10 . 1 1 100 100 LEU C C 91 177.250 177.250 177.860 -0.610 18223
4546 1 10 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.869 -1.769 18223
4547 1 10 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.208 -0.114 18223
4548 1 10 . 1 1 100 100 LEU H H 91 7.732 7.732 8.696 -0.964 18223
4549 1 10 . 1 1 101 101 ILE N N 92 118.245 118.245 118.297 -0.052 18223
4550 1 10 . 1 1 101 101 ILE C C 92 177.130 177.130 177.801 -0.671 18223
4551 1 10 . 1 1 101 101 ILE CA C 92 60.914 60.914 63.825 -2.911 18223
4552 1 10 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.669 1.459 18223
4553 1 10 . 1 1 101 101 ILE H H 92 7.668 7.668 7.894 -0.226 18223
4554 1 10 . 1 1 102 102 ALA N N 93 127.523 127.523 122.182 5.341 18223
4555 1 10 . 1 1 102 102 ALA C C 93 179.370 179.370 179.882 -0.512 18223
4556 1 10 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.285 -2.447 18223
4557 1 10 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.160 0.859 18223
4558 1 10 . 1 1 102 102 ALA H H 93 8.110 8.110 8.212 -0.102 18223
4559 1 10 . 1 1 103 103 GLY N N 94 109.013 109.013 106.683 2.330 18223
4560 1 10 . 1 1 103 103 GLY C C 94 175.290 175.290 175.861 -0.571 18223
4561 1 10 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.978 -1.558 18223
4562 1 10 . 1 1 103 103 GLY H H 94 8.180 8.180 8.104 0.076 18223
4563 1 10 . 1 1 104 104 ALA N N 95 123.130 123.130 124.297 -1.167 18223
4564 1 10 . 1 1 104 104 ALA C C 95 180.040 180.040 179.588 0.452 18223
4565 1 10 . 1 1 104 104 ALA H H 95 8.230 8.230 7.990 0.240 18223
4566 1 10 . 1 1 105 105 SER N N 96 114.606 114.606 113.787 0.819 18223
4567 1 10 . 1 1 105 105 SER C C 96 176.140 176.140 177.004 -0.864 18223
4568 1 10 . 1 1 105 105 SER H H 96 7.915 7.915 8.358 -0.443 18223
4569 1 10 . 1 1 106 106 LEU N N 97 122.651 122.651 122.301 0.350 18223
4570 1 10 . 1 1 106 106 LEU C C 97 179.140 179.140 178.502 0.638 18223
4571 1 10 . 1 1 106 106 LEU H H 97 8.066 8.066 7.300 0.766 18223
4572 1 10 . 1 1 108 108 MET N N 99 118.381 118.381 117.946 0.435 18223
4573 1 10 . 1 1 108 108 MET C C 99 178.830 178.830 178.325 0.505 18223
4574 1 10 . 1 1 108 108 MET CA C 99 58.730 58.730 59.716 -0.986 18223
4575 1 10 . 1 1 108 108 MET H H 99 7.682 7.682 8.285 -0.603 18223
4576 1 10 . 1 1 109 109 VAL N N 100 118.713 118.713 119.355 -0.642 18223
4577 1 10 . 1 1 109 109 VAL C C 100 177.930 177.930 177.390 0.540 18223
4578 1 10 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.235 -0.005 18223
4579 1 10 . 1 1 109 109 VAL H H 100 7.821 7.821 7.825 -0.004 18223
4580 1 10 . 1 1 110 110 ALA N N 101 122.160 122.160 121.032 1.128 18223
4581 1 10 . 1 1 110 110 ALA C C 101 180.470 180.470 179.563 0.907 18223
4582 1 10 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.223 0.117 18223
4583 1 10 . 1 1 110 110 ALA H H 101 8.110 8.110 7.984 0.126 18223
4584 1 10 . 1 1 111 111 LYS N N 102 120.260 120.260 119.474 0.786 18223
4585 1 10 . 1 1 111 111 LYS C C 102 177.490 177.490 178.778 -1.288 18223
4586 1 10 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.545 -2.055 18223
4587 1 10 . 1 1 111 111 LYS H H 102 7.870 7.870 7.835 0.035 18223
4588 1 10 . 1 1 112 112 VAL N N 103 120.410 120.410 116.668 3.742 18223
4589 1 10 . 1 1 112 112 VAL C C 103 176.240 176.240 178.051 -1.811 18223
4590 1 10 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.189 0.531 18223
4591 1 10 . 1 1 112 112 VAL H H 103 7.990 7.990 8.024 -0.034 18223
4592 1 10 . 1 1 113 113 GLY N N 104 108.926 108.926 108.733 0.193 18223
4593 1 10 . 1 1 113 113 GLY C C 104 175.150 175.150 174.481 0.669 18223
4594 1 10 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.601 1.049 18223
4595 1 10 . 1 1 113 113 GLY H H 104 8.477 8.477 7.695 0.782 18223
4596 1 10 . 1 1 114 114 VAL N N 105 119.350 119.350 119.820 -0.470 18223
4597 1 10 . 1 1 114 114 VAL C C 105 178.390 178.390 174.456 3.934 18223
4598 1 10 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.669 3.471 18223
4599 1 10 . 1 1 114 114 VAL H H 105 8.310 8.310 8.055 0.255 18223
4600 1 10 . 1 1 115 115 SER N N 106 115.964 115.964 118.565 -2.601 18223
4601 1 10 . 1 1 115 115 SER C C 106 177.250 177.250 172.585 4.665 18223
4602 1 10 . 1 1 115 115 SER CA C 106 61.130 61.130 58.046 3.084 18223
4603 1 10 . 1 1 115 115 SER H H 106 7.815 7.815 8.226 -0.411 18223
4604 1 10 . 1 1 116 116 MET N N 107 120.190 120.190 121.105 -0.915 18223
4605 1 10 . 1 1 116 116 MET C C 107 177.190 177.190 175.069 2.121 18223
4606 1 10 . 1 1 116 116 MET CA C 107 57.450 57.450 56.576 0.874 18223
4607 1 10 . 1 1 116 116 MET H H 107 7.820 7.820 8.379 -0.559 18223
4608 1 10 . 1 1 117 117 PHE N N 108 117.325 117.325 120.796 -3.471 18223
4609 1 10 . 1 1 117 117 PHE C C 108 175.740 175.740 173.597 2.143 18223
4610 1 10 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.633 1.237 18223
4611 1 10 . 1 1 117 117 PHE H H 108 7.735 7.735 8.241 -0.506 18223
4612 1 10 . 1 1 118 118 ASN N N 109 118.878 118.878 119.840 -0.962 18223
4613 1 10 . 1 1 118 118 ASN C C 109 174.830 174.830 172.800 2.030 18223
4614 1 10 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.388 0.672 18223
4615 1 10 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.507 -0.442 18223
4616 1 10 . 1 1 118 118 ASN H H 109 7.907 7.907 7.108 0.799 18223
4617 1 10 . 1 1 119 119 ARG N N 110 122.870 122.870 121.640 1.230 18223
4618 1 10 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.494 -0.344 18223
4619 1 10 . 1 1 119 119 ARG H H 110 7.894 7.894 8.176 -0.282 18223
4620 1 10 . 1 1 120 120 PRO C C 111 176.590 176.590 176.652 -0.062 18223
4621 1 11 . 1 1 11 11 GLN C C 2 176.170 176.170 174.712 1.458 18223
4622 1 11 . 1 1 12 12 ASP N N 3 120.369 120.369 119.536 0.833 18223
4623 1 11 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.246 -0.096 18223
4624 1 11 . 1 1 12 12 ASP C C 3 176.980 176.980 175.361 1.619 18223
4625 1 11 . 1 1 12 12 ASP CA C 3 54.837 54.837 56.162 -1.325 18223
4626 1 11 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.434 -0.638 18223
4627 1 11 . 1 1 12 12 ASP H H 3 8.275 8.275 8.537 -0.262 18223
4628 1 11 . 1 1 13 13 THR N N 4 114.220 114.220 112.748 1.472 18223
4629 1 11 . 1 1 13 13 THR HA H 4 4.636 4.636 3.983 0.653 18223
4630 1 11 . 1 1 13 13 THR C C 4 175.530 175.530 174.947 0.583 18223
4631 1 11 . 1 1 13 13 THR CA C 4 62.790 62.790 63.875 -1.085 18223
4632 1 11 . 1 1 13 13 THR CB C 4 69.134 69.134 68.162 0.972 18223
4633 1 11 . 1 1 13 13 THR H H 4 7.990 7.990 8.225 -0.235 18223
4634 1 11 . 1 1 14 14 SER N N 5 117.664 117.664 117.846 -0.182 18223
4635 1 11 . 1 1 14 14 SER HA H 5 4.296 4.296 3.906 0.390 18223
4636 1 11 . 1 1 14 14 SER C C 5 175.200 175.200 174.899 0.301 18223
4637 1 11 . 1 1 14 14 SER CA C 5 59.443 59.443 60.166 -0.723 18223
4638 1 11 . 1 1 14 14 SER CB C 5 63.438 63.438 61.875 1.563 18223
4639 1 11 . 1 1 14 14 SER H H 5 8.255 8.255 8.637 -0.382 18223
4640 1 11 . 1 1 15 15 SER N N 6 117.093 117.093 115.098 1.995 18223
4641 1 11 . 1 1 15 15 SER HA H 6 4.317 4.317 4.085 0.232 18223
4642 1 11 . 1 1 15 15 SER C C 6 174.770 174.770 175.044 -0.274 18223
4643 1 11 . 1 1 15 15 SER CA C 6 58.737 58.737 61.598 -2.861 18223
4644 1 11 . 1 1 15 15 SER CB C 6 63.656 63.656 62.206 1.450 18223
4645 1 11 . 1 1 15 15 SER H H 6 8.050 8.050 8.320 -0.270 18223
4646 1 11 . 1 1 16 16 VAL N N 7 119.995 119.995 114.005 5.990 18223
4647 1 11 . 1 1 16 16 VAL C C 7 176.150 176.150 175.187 0.963 18223
4648 1 11 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.816 -0.073 18223
4649 1 11 . 1 1 16 16 VAL CB C 7 32.215 32.215 34.384 -2.169 18223
4650 1 11 . 1 1 16 16 VAL H H 7 7.775 7.775 8.071 -0.296 18223
4651 1 11 . 1 1 17 17 VAL N N 8 121.090 121.090 113.304 7.786 18223
4652 1 11 . 1 1 17 17 VAL CA C 8 60.910 60.910 58.625 2.285 18223
4653 1 11 . 1 1 17 17 VAL H H 8 7.730 7.730 7.366 0.364 18223
4654 1 11 . 1 1 18 18 PRO C C 9 178.410 178.410 177.693 0.717 18223
4655 1 11 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.465 1.045 18223
4656 1 11 . 1 1 19 19 LEU N N 10 121.410 121.410 121.525 -0.115 18223
4657 1 11 . 1 1 19 19 LEU C C 10 178.910 178.910 178.981 -0.071 18223
4658 1 11 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.980 -3.130 18223
4659 1 11 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.784 -0.339 18223
4660 1 11 . 1 1 19 19 LEU H H 10 7.930 7.930 8.544 -0.614 18223
4661 1 11 . 1 1 20 20 HIS N N 11 116.900 116.900 117.524 -0.624 18223
4662 1 11 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.395 0.236 18223
4663 1 11 . 1 1 20 20 HIS C C 11 174.990 174.990 178.101 -3.111 18223
4664 1 11 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.396 -3.396 18223
4665 1 11 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.387 -1.427 18223
4666 1 11 . 1 1 20 20 HIS H H 11 8.384 8.384 8.364 0.020 18223
4667 1 11 . 1 1 21 21 TRP C C 12 177.660 177.660 179.186 -1.526 18223
4668 1 11 . 1 1 22 22 PHE N N 13 119.238 119.238 118.607 0.631 18223
4669 1 11 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.219 0.069 18223
4670 1 11 . 1 1 22 22 PHE C C 13 177.410 177.410 178.112 -0.702 18223
4671 1 11 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.639 -1.941 18223
4672 1 11 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.607 -0.263 18223
4673 1 11 . 1 1 22 22 PHE H H 13 7.883 7.883 9.081 -1.198 18223
4674 1 11 . 1 1 23 23 GLY N N 14 107.209 107.209 106.339 0.870 18223
4675 1 11 . 1 1 23 23 GLY C C 14 176.220 176.220 176.105 0.115 18223
4676 1 11 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.141 -0.061 18223
4677 1 11 . 1 1 23 23 GLY H H 14 7.911 7.911 8.315 -0.404 18223
4678 1 11 . 1 1 24 24 PHE N N 15 121.880 121.880 123.268 -1.388 18223
4679 1 11 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.369 0.044 18223
4680 1 11 . 1 1 24 24 PHE C C 15 177.840 177.840 177.972 -0.132 18223
4681 1 11 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.516 -1.426 18223
4682 1 11 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.354 -0.505 18223
4683 1 11 . 1 1 24 24 PHE H H 15 7.900 7.900 8.500 -0.600 18223
4684 1 11 . 1 1 25 25 GLY N N 16 107.640 107.640 107.101 0.539 18223
4685 1 11 . 1 1 25 25 GLY C C 16 174.910 174.910 175.801 -0.891 18223
4686 1 11 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.119 0.211 18223
4687 1 11 . 1 1 25 25 GLY H H 16 8.320 8.320 8.984 -0.664 18223
4688 1 11 . 1 1 26 26 TYR N N 17 121.804 121.804 123.542 -1.738 18223
4689 1 11 . 1 1 26 26 TYR C C 17 177.120 177.120 177.175 -0.055 18223
4690 1 11 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.938 -0.268 18223
4691 1 11 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.513 -0.112 18223
4692 1 11 . 1 1 26 26 TYR H H 17 8.365 8.365 8.311 0.054 18223
4693 1 11 . 1 1 27 27 ALA N N 18 120.785 120.785 120.626 0.159 18223
4694 1 11 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.960 -0.077 18223
4695 1 11 . 1 1 27 27 ALA C C 18 178.790 178.790 179.228 -0.438 18223
4696 1 11 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.197 -0.157 18223
4697 1 11 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.949 -0.228 18223
4698 1 11 . 1 1 27 27 ALA H H 18 7.949 7.949 8.315 -0.366 18223
4699 1 11 . 1 1 28 28 ALA N N 19 120.210 120.210 120.520 -0.310 18223
4700 1 11 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.693 0.157 18223
4701 1 11 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.221 -0.500 18223
4702 1 11 . 1 1 28 28 ALA H H 19 7.870 7.870 7.935 -0.065 18223
4703 1 11 . 1 1 29 29 LEU N N 20 120.090 120.090 120.024 0.066 18223
4704 1 11 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.922 -5.922 18223
4705 1 11 . 1 1 29 29 LEU H H 20 8.000 8.000 7.746 0.254 18223
4706 1 11 . 1 1 30 30 VAL N N 21 118.299 118.299 119.328 -1.029 18223
4707 1 11 . 1 1 30 30 VAL C C 21 178.920 178.920 178.043 0.877 18223
4708 1 11 . 1 1 30 30 VAL CA C 21 65.620 65.620 67.340 -1.720 18223
4709 1 11 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.441 -0.164 18223
4710 1 11 . 1 1 30 30 VAL H H 21 7.947 7.947 8.025 -0.078 18223
4711 1 11 . 1 1 31 31 ALA N N 22 122.600 122.600 119.570 3.030 18223
4712 1 11 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.939 0.234 18223
4713 1 11 . 1 1 31 31 ALA C C 22 179.540 179.540 179.367 0.173 18223
4714 1 11 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.166 -0.958 18223
4715 1 11 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.947 0.495 18223
4716 1 11 . 1 1 31 31 ALA H H 22 7.819 7.819 8.074 -0.255 18223
4717 1 11 . 1 1 32 32 SER N N 23 113.502 113.502 115.697 -2.195 18223
4718 1 11 . 1 1 32 32 SER HA H 23 4.015 4.015 4.074 -0.059 18223
4719 1 11 . 1 1 32 32 SER C C 23 175.890 175.890 176.723 -0.833 18223
4720 1 11 . 1 1 32 32 SER CA C 23 60.490 60.490 61.752 -1.262 18223
4721 1 11 . 1 1 32 32 SER CB C 23 63.510 63.510 62.730 0.779 18223
4722 1 11 . 1 1 32 32 SER H H 23 7.826 7.826 8.220 -0.394 18223
4723 1 11 . 1 1 33 33 GLY N N 24 109.939 109.939 109.160 0.779 18223
4724 1 11 . 1 1 33 33 GLY C C 24 176.180 176.180 175.510 0.670 18223
4725 1 11 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.700 -0.050 18223
4726 1 11 . 1 1 33 33 GLY H H 24 7.985 7.985 8.340 -0.355 18223
4727 1 11 . 1 1 34 34 GLY N N 25 109.396 109.396 110.096 -0.700 18223
4728 1 11 . 1 1 34 34 GLY C C 25 175.330 175.330 175.356 -0.026 18223
4729 1 11 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.490 -0.320 18223
4730 1 11 . 1 1 34 34 GLY H H 25 8.235 8.235 7.892 0.343 18223
4731 1 11 . 1 1 35 35 ILE N N 26 120.211 120.211 122.732 -2.521 18223
4732 1 11 . 1 1 35 35 ILE C C 26 177.400 177.400 177.963 -0.563 18223
4733 1 11 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.084 -0.254 18223
4734 1 11 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.298 -0.459 18223
4735 1 11 . 1 1 35 35 ILE H H 26 7.998 7.998 7.953 0.045 18223
4736 1 11 . 1 1 36 36 ILE N N 27 120.051 120.051 119.118 0.933 18223
4737 1 11 . 1 1 36 36 ILE C C 27 177.900 177.900 177.649 0.251 18223
4738 1 11 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.777 -0.927 18223
4739 1 11 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.237 -0.407 18223
4740 1 11 . 1 1 36 36 ILE H H 27 7.998 7.998 8.868 -0.870 18223
4741 1 11 . 1 1 37 37 GLY N N 28 107.531 107.531 107.648 -0.117 18223
4742 1 11 . 1 1 37 37 GLY C C 28 176.120 176.120 176.213 -0.093 18223
4743 1 11 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.431 0.369 18223
4744 1 11 . 1 1 37 37 GLY H H 28 7.983 7.983 7.459 0.524 18223
4745 1 11 . 1 1 38 38 TYR N N 29 120.900 120.900 122.360 -1.460 18223
4746 1 11 . 1 1 38 38 TYR C C 29 176.530 176.530 177.451 -0.921 18223
4747 1 11 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.068 -0.338 18223
4748 1 11 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.631 -0.143 18223
4749 1 11 . 1 1 38 38 TYR H H 29 7.726 7.726 8.064 -0.338 18223
4750 1 11 . 1 1 39 39 VAL N N 30 117.958 117.958 115.186 2.772 18223
4751 1 11 . 1 1 39 39 VAL C C 30 177.600 177.600 176.548 1.052 18223
4752 1 11 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.715 0.660 18223
4753 1 11 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.448 -1.027 18223
4754 1 11 . 1 1 39 39 VAL H H 30 7.849 7.849 8.053 -0.204 18223
4755 1 11 . 1 1 40 40 LYS N N 31 120.116 120.116 116.684 3.432 18223
4756 1 11 . 1 1 40 40 LYS C C 31 177.090 177.090 175.042 2.048 18223
4757 1 11 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.000 -0.230 18223
4758 1 11 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.699 0.516 18223
4759 1 11 . 1 1 40 40 LYS H H 31 8.072 8.072 7.891 0.181 18223
4760 1 11 . 1 1 41 41 ALA N N 32 122.082 122.082 119.310 2.772 18223
4761 1 11 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.390 -0.149 18223
4762 1 11 . 1 1 41 41 ALA C C 32 178.780 178.780 176.597 2.183 18223
4763 1 11 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.642 1.619 18223
4764 1 11 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.340 -0.610 18223
4765 1 11 . 1 1 41 41 ALA H H 32 7.786 7.786 7.402 0.384 18223
4766 1 11 . 1 1 42 42 GLY N N 33 106.746 106.746 106.935 -0.189 18223
4767 1 11 . 1 1 42 42 GLY C C 33 174.790 174.790 174.837 -0.047 18223
4768 1 11 . 1 1 42 42 GLY CA C 33 45.820 45.820 46.018 -0.198 18223
4769 1 11 . 1 1 42 42 GLY H H 33 7.964 7.964 8.805 -0.841 18223
4770 1 11 . 1 1 43 43 SER N N 34 115.541 115.541 117.830 -2.289 18223
4771 1 11 . 1 1 43 43 SER HA H 34 4.491 4.491 4.431 0.060 18223
4772 1 11 . 1 1 43 43 SER C C 34 174.920 174.920 175.107 -0.187 18223
4773 1 11 . 1 1 43 43 SER CA C 34 58.730 58.730 57.771 0.959 18223
4774 1 11 . 1 1 43 43 SER CB C 34 63.798 63.798 63.934 -0.136 18223
4775 1 11 . 1 1 43 43 SER H H 34 8.049 8.049 7.958 0.091 18223
4776 1 11 . 1 1 44 44 VAL N N 35 121.887 121.887 127.721 -5.834 18223
4777 1 11 . 1 1 44 44 VAL CA C 35 65.330 65.330 65.870 -0.540 18223
4778 1 11 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.595 -1.265 18223
4779 1 11 . 1 1 44 44 VAL H H 35 8.332 8.332 8.840 -0.508 18223
4780 1 11 . 1 1 46 46 SER N N 37 113.762 113.762 113.752 0.010 18223
4781 1 11 . 1 1 46 46 SER CA C 37 61.130 61.130 61.553 -0.423 18223
4782 1 11 . 1 1 46 46 SER CB C 37 62.789 62.789 62.918 -0.129 18223
4783 1 11 . 1 1 46 46 SER H H 37 7.924 7.924 8.266 -0.342 18223
4784 1 11 . 1 1 47 47 LEU N N 38 124.450 124.450 121.321 3.129 18223
4785 1 11 . 1 1 47 47 LEU C C 38 176.440 176.440 178.703 -2.263 18223
4786 1 11 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.479 -0.119 18223
4787 1 11 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.117 0.688 18223
4788 1 11 . 1 1 47 47 LEU H H 38 8.108 8.108 7.580 0.528 18223
4789 1 11 . 1 1 48 48 ALA N N 39 121.290 121.290 121.305 -0.015 18223
4790 1 11 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.185 -0.575 18223
4791 1 11 . 1 1 48 48 ALA H H 39 8.250 8.250 7.758 0.492 18223
4792 1 11 . 1 1 49 49 ALA N N 40 120.070 120.070 119.473 0.597 18223
4793 1 11 . 1 1 49 49 ALA C C 40 179.910 179.910 179.605 0.305 18223
4794 1 11 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.906 0.204 18223
4795 1 11 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.290 -0.209 18223
4796 1 11 . 1 1 49 49 ALA H H 40 8.145 8.145 8.636 -0.491 18223
4797 1 11 . 1 1 50 50 GLY N N 41 104.977 104.977 107.662 -2.685 18223
4798 1 11 . 1 1 50 50 GLY C C 41 174.870 174.870 176.145 -1.275 18223
4799 1 11 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.976 -0.051 18223
4800 1 11 . 1 1 50 50 GLY H H 41 8.103 8.103 7.564 0.539 18223
4801 1 11 . 1 1 51 51 LEU N N 42 122.431 122.431 122.658 -0.227 18223
4802 1 11 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.386 -0.056 18223
4803 1 11 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.347 0.458 18223
4804 1 11 . 1 1 51 51 LEU H H 42 7.796 7.796 8.138 -0.342 18223
4805 1 11 . 1 1 52 52 LEU N N 43 119.483 119.483 120.348 -0.865 18223
4806 1 11 . 1 1 52 52 LEU C C 43 179.910 179.910 179.020 0.890 18223
4807 1 11 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.641 -0.871 18223
4808 1 11 . 1 1 52 52 LEU CB C 43 41.372 41.372 42.074 -0.702 18223
4809 1 11 . 1 1 52 52 LEU H H 43 7.862 7.862 7.919 -0.057 18223
4810 1 11 . 1 1 53 53 PHE N N 44 117.117 117.117 118.254 -1.137 18223
4811 1 11 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.305 0.066 18223
4812 1 11 . 1 1 53 53 PHE C C 44 178.530 178.530 177.772 0.758 18223
4813 1 11 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.052 -0.902 18223
4814 1 11 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.620 -0.492 18223
4815 1 11 . 1 1 53 53 PHE H H 44 8.343 8.343 8.385 -0.042 18223
4816 1 11 . 1 1 54 54 GLY N N 45 107.605 107.605 108.136 -0.531 18223
4817 1 11 . 1 1 54 54 GLY C C 45 176.400 176.400 176.005 0.395 18223
4818 1 11 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.235 -0.485 18223
4819 1 11 . 1 1 54 54 GLY H H 45 8.150 8.150 7.543 0.607 18223
4820 1 11 . 1 1 55 55 SER N N 46 117.713 117.713 118.021 -0.308 18223
4821 1 11 . 1 1 55 55 SER C C 46 176.130 176.130 176.706 -0.576 18223
4822 1 11 . 1 1 55 55 SER CA C 46 61.240 61.240 61.642 -0.402 18223
4823 1 11 . 1 1 55 55 SER CB C 46 63.294 63.294 63.232 0.062 18223
4824 1 11 . 1 1 55 55 SER H H 46 7.942 7.942 7.828 0.114 18223
4825 1 11 . 1 1 56 56 LEU N N 47 121.618 121.618 121.454 0.164 18223
4826 1 11 . 1 1 56 56 LEU C C 47 178.510 178.510 176.932 1.578 18223
4827 1 11 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.688 -0.928 18223
4828 1 11 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.836 -0.680 18223
4829 1 11 . 1 1 56 56 LEU H H 47 7.910 7.910 7.984 -0.074 18223
4830 1 11 . 1 1 57 57 ALA N N 48 121.557 121.557 121.215 0.342 18223
4831 1 11 . 1 1 57 57 ALA C C 48 180.040 180.040 179.169 0.871 18223
4832 1 11 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.926 -0.376 18223
4833 1 11 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.917 0.164 18223
4834 1 11 . 1 1 57 57 ALA H H 48 7.878 7.878 7.743 0.135 18223
4835 1 11 . 1 1 58 58 GLY N N 49 106.435 106.435 107.574 -1.139 18223
4836 1 11 . 1 1 58 58 GLY C C 49 175.740 175.740 176.357 -0.617 18223
4837 1 11 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.918 -0.638 18223
4838 1 11 . 1 1 58 58 GLY H H 49 8.085 8.085 7.972 0.113 18223
4839 1 11 . 1 1 59 59 LEU N N 50 121.230 121.230 121.761 -0.531 18223
4840 1 11 . 1 1 59 59 LEU C C 50 178.390 178.390 179.152 -0.762 18223
4841 1 11 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.335 -0.905 18223
4842 1 11 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.533 0.128 18223
4843 1 11 . 1 1 59 59 LEU H H 50 7.770 7.770 8.473 -0.703 18223
4844 1 11 . 1 1 60 60 GLY N N 51 106.525 106.525 106.946 -0.421 18223
4845 1 11 . 1 1 60 60 GLY C C 51 174.820 174.820 175.136 -0.316 18223
4846 1 11 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.166 -0.876 18223
4847 1 11 . 1 1 60 60 GLY H H 51 8.090 8.090 7.909 0.181 18223
4848 1 11 . 1 1 61 61 ALA N N 52 122.773 122.773 121.712 1.061 18223
4849 1 11 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.973 0.129 18223
4850 1 11 . 1 1 61 61 ALA C C 52 178.320 178.320 177.925 0.395 18223
4851 1 11 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.584 -0.164 18223
4852 1 11 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.299 0.143 18223
4853 1 11 . 1 1 61 61 ALA H H 52 7.819 7.819 7.866 -0.047 18223
4854 1 11 . 1 1 62 62 TYR N N 53 118.481 118.481 118.820 -0.339 18223
4855 1 11 . 1 1 62 62 TYR C C 53 176.390 176.390 176.856 -0.466 18223
4856 1 11 . 1 1 62 62 TYR CA C 53 59.000 59.000 59.779 -0.779 18223
4857 1 11 . 1 1 62 62 TYR CB C 53 38.344 38.344 39.304 -0.960 18223
4858 1 11 . 1 1 62 62 TYR H H 53 7.794 7.794 7.140 0.654 18223
4859 1 11 . 1 1 63 63 GLN N N 54 120.770 120.770 117.135 3.635 18223
4860 1 11 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.897 -0.337 18223
4861 1 11 . 1 1 63 63 GLN CB C 54 28.648 28.648 29.195 -0.547 18223
4862 1 11 . 1 1 63 63 GLN H H 54 8.033 8.033 8.895 -0.862 18223
4863 1 11 . 1 1 64 64 LEU N N 55 121.847 121.847 119.493 2.354 18223
4864 1 11 . 1 1 64 64 LEU HA H 55 4.170 4.170 3.790 0.380 18223
4865 1 11 . 1 1 64 64 LEU C C 55 177.790 177.790 176.825 0.965 18223
4866 1 11 . 1 1 64 64 LEU CA C 55 56.010 56.010 57.577 -1.567 18223
4867 1 11 . 1 1 64 64 LEU CB C 55 41.805 41.805 40.680 1.125 18223
4868 1 11 . 1 1 64 64 LEU H H 55 8.018 8.018 7.381 0.637 18223
4869 1 11 . 1 1 65 65 SER N N 56 113.937 113.937 111.845 2.092 18223
4870 1 11 . 1 1 65 65 SER C C 56 174.710 174.710 174.046 0.664 18223
4871 1 11 . 1 1 65 65 SER CA C 56 59.050 59.050 59.173 -0.123 18223
4872 1 11 . 1 1 65 65 SER CB C 56 63.554 63.554 62.569 0.985 18223
4873 1 11 . 1 1 65 65 SER H H 56 7.892 7.892 8.508 -0.616 18223
4874 1 11 . 1 1 66 66 GLN N N 57 120.154 120.154 118.395 1.759 18223
4875 1 11 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.377 -0.134 18223
4876 1 11 . 1 1 66 66 GLN C C 57 175.760 175.760 174.362 1.398 18223
4877 1 11 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.809 -1.159 18223
4878 1 11 . 1 1 66 66 GLN CB C 57 29.548 29.548 31.118 -1.570 18223
4879 1 11 . 1 1 66 66 GLN H H 57 7.625 7.625 8.040 -0.415 18223
4880 1 11 . 1 1 67 67 ASP N N 58 120.090 120.090 120.696 -0.606 18223
4881 1 11 . 1 1 67 67 ASP CA C 58 52.000 52.000 51.250 0.750 18223
4882 1 11 . 1 1 67 67 ASP H H 58 8.000 8.000 8.031 -0.031 18223
4883 1 11 . 1 1 68 68 PRO C C 59 177.890 177.890 178.560 -0.670 18223
4884 1 11 . 1 1 69 69 ARG N N 60 117.806 117.806 119.343 -1.537 18223
4885 1 11 . 1 1 69 69 ARG C C 60 178.330 178.330 178.431 -0.101 18223
4886 1 11 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.307 -1.412 18223
4887 1 11 . 1 1 69 69 ARG CB C 60 29.202 29.202 30.011 -0.809 18223
4888 1 11 . 1 1 69 69 ARG H H 60 8.402 8.402 8.426 -0.024 18223
4889 1 11 . 1 1 70 70 ASN N N 61 116.920 116.920 117.645 -0.725 18223
4890 1 11 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.319 -1.020 18223
4891 1 11 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.024 0.043 18223
4892 1 11 . 1 1 70 70 ASN H H 61 7.930 7.930 8.234 -0.304 18223
4893 1 11 . 1 1 71 71 VAL N N 62 120.795 120.795 120.628 0.167 18223
4894 1 11 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.176 -0.249 18223
4895 1 11 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.771 -0.777 18223
4896 1 11 . 1 1 71 71 VAL H H 62 7.783 7.783 7.462 0.321 18223
4897 1 11 . 1 1 72 72 TRP N N 63 120.550 120.550 120.454 0.096 18223
4898 1 11 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.181 0.236 18223
4899 1 11 . 1 1 72 72 TRP C C 63 177.850 177.850 177.760 0.090 18223
4900 1 11 . 1 1 72 72 TRP CA C 63 60.130 60.130 60.912 -0.782 18223
4901 1 11 . 1 1 72 72 TRP CB C 63 29.313 29.313 28.702 0.611 18223
4902 1 11 . 1 1 72 72 TRP H H 63 7.760 7.760 7.898 -0.138 18223
4903 1 11 . 1 1 73 73 VAL N N 64 117.896 117.896 118.707 -0.811 18223
4904 1 11 . 1 1 73 73 VAL C C 64 179.270 179.270 178.262 1.008 18223
4905 1 11 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.017 0.513 18223
4906 1 11 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.471 0.837 18223
4907 1 11 . 1 1 73 73 VAL H H 64 7.905 7.905 8.006 -0.101 18223
4908 1 11 . 1 1 74 74 PHE N N 65 122.086 122.086 118.413 3.673 18223
4909 1 11 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.165 0.060 18223
4910 1 11 . 1 1 74 74 PHE C C 65 177.760 177.760 177.824 -0.064 18223
4911 1 11 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.865 -0.575 18223
4912 1 11 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.124 0.436 18223
4913 1 11 . 1 1 74 74 PHE H H 65 7.857 7.857 7.979 -0.122 18223
4914 1 11 . 1 1 75 75 LEU N N 66 121.304 121.304 123.223 -1.919 18223
4915 1 11 . 1 1 75 75 LEU C C 66 179.060 179.060 178.113 0.947 18223
4916 1 11 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.008 -0.208 18223
4917 1 11 . 1 1 75 75 LEU CB C 66 41.300 41.300 42.182 -0.882 18223
4918 1 11 . 1 1 75 75 LEU H H 66 8.326 8.326 8.411 -0.085 18223
4919 1 11 . 1 1 76 76 ALA N N 67 120.420 120.420 118.988 1.432 18223
4920 1 11 . 1 1 76 76 ALA HA H 67 4.396 4.396 4.013 0.383 18223
4921 1 11 . 1 1 76 76 ALA C C 67 180.180 180.180 179.696 0.484 18223
4922 1 11 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.010 -0.419 18223
4923 1 11 . 1 1 76 76 ALA H H 67 8.283 8.283 7.982 0.301 18223
4924 1 11 . 1 1 77 77 THR N N 68 111.152 111.152 116.005 -4.853 18223
4925 1 11 . 1 1 77 77 THR C C 68 175.830 175.830 176.984 -1.154 18223
4926 1 11 . 1 1 77 77 THR CA C 68 64.159 64.159 66.204 -2.045 18223
4927 1 11 . 1 1 77 77 THR CB C 68 69.711 69.711 68.097 1.614 18223
4928 1 11 . 1 1 77 77 THR H H 68 7.951 7.951 7.945 0.006 18223
4929 1 11 . 1 1 78 78 SER N N 69 117.883 117.883 117.085 0.798 18223
4930 1 11 . 1 1 78 78 SER C C 69 176.000 176.000 177.353 -1.353 18223
4931 1 11 . 1 1 78 78 SER CA C 69 60.730 60.730 61.573 -0.843 18223
4932 1 11 . 1 1 78 78 SER H H 69 7.839 7.839 8.296 -0.457 18223
4933 1 11 . 1 1 79 79 GLY N N 70 111.078 111.078 110.964 0.114 18223
4934 1 11 . 1 1 79 79 GLY C C 70 175.830 175.830 175.581 0.249 18223
4935 1 11 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.686 -0.976 18223
4936 1 11 . 1 1 79 79 GLY H H 70 8.269 8.269 8.359 -0.090 18223
4937 1 11 . 1 1 80 80 THR N N 71 117.727 117.727 118.112 -0.385 18223
4938 1 11 . 1 1 80 80 THR C C 71 176.110 176.110 176.767 -0.657 18223
4939 1 11 . 1 1 80 80 THR CA C 71 66.178 66.178 66.911 -0.733 18223
4940 1 11 . 1 1 80 80 THR CB C 71 68.630 68.630 68.896 -0.266 18223
4941 1 11 . 1 1 80 80 THR H H 71 7.823 7.823 7.833 -0.010 18223
4942 1 11 . 1 1 81 81 LEU N N 72 121.422 121.422 121.157 0.265 18223
4943 1 11 . 1 1 81 81 LEU C C 72 178.620 178.620 178.269 0.351 18223
4944 1 11 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.107 -0.417 18223
4945 1 11 . 1 1 81 81 LEU H H 72 7.846 7.846 8.224 -0.378 18223
4946 1 11 . 1 1 82 82 ALA N N 73 121.160 121.160 119.329 1.831 18223
4947 1 11 . 1 1 82 82 ALA C C 73 180.440 180.440 179.482 0.958 18223
4948 1 11 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.106 1.074 18223
4949 1 11 . 1 1 82 82 ALA CB C 73 17.865 17.865 19.352 -1.487 18223
4950 1 11 . 1 1 82 82 ALA H H 73 8.050 8.050 8.157 -0.107 18223
4951 1 11 . 1 1 83 83 GLY N N 74 106.017 106.017 108.173 -2.156 18223
4952 1 11 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.879 0.131 18223
4953 1 11 . 1 1 83 83 GLY H H 74 8.132 8.132 8.142 -0.010 18223
4954 1 11 . 1 1 84 84 ILE N N 75 122.030 122.030 120.292 1.738 18223
4955 1 11 . 1 1 84 84 ILE C C 75 178.530 178.530 175.980 2.550 18223
4956 1 11 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.763 0.968 18223
4957 1 11 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.360 -0.593 18223
4958 1 11 . 1 1 84 84 ILE H H 75 7.930 7.930 7.828 0.102 18223
4959 1 11 . 1 1 85 85 MET N N 76 117.920 117.920 116.943 0.977 18223
4960 1 11 . 1 1 85 85 MET CA C 76 57.810 57.810 54.966 2.844 18223
4961 1 11 . 1 1 85 85 MET H H 76 8.140 8.140 8.287 -0.147 18223
4962 1 11 . 1 1 86 86 GLY N N 77 109.118 109.118 109.840 -0.722 18223
4963 1 11 . 1 1 86 86 GLY CA C 77 45.771 45.771 45.041 0.730 18223
4964 1 11 . 1 1 86 86 GLY H H 77 7.920 7.920 8.332 -0.412 18223
4965 1 11 . 1 1 87 87 MET N N 78 119.220 119.220 119.160 0.060 18223
4966 1 11 . 1 1 87 87 MET CA C 78 55.810 55.810 57.195 -1.385 18223
4967 1 11 . 1 1 87 87 MET H H 78 7.950 7.950 8.349 -0.399 18223
4968 1 11 . 1 1 88 88 ARG N N 79 120.090 120.090 120.817 -0.727 18223
4969 1 11 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.845 -3.845 18223
4970 1 11 . 1 1 88 88 ARG H H 79 8.000 8.000 8.316 -0.316 18223
4971 1 11 . 1 1 90 90 TYR C C 81 176.310 176.310 174.282 2.028 18223
4972 1 11 . 1 1 91 91 HIS N N 82 118.270 118.270 119.807 -1.537 18223
4973 1 11 . 1 1 91 91 HIS C C 82 174.940 174.940 174.249 0.691 18223
4974 1 11 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.870 -1.020 18223
4975 1 11 . 1 1 91 91 HIS H H 82 8.130 8.130 8.347 -0.217 18223
4976 1 11 . 1 1 92 92 SER N N 83 115.818 115.818 113.544 2.274 18223
4977 1 11 . 1 1 92 92 SER C C 83 175.470 175.470 174.125 1.345 18223
4978 1 11 . 1 1 92 92 SER CA C 83 59.430 59.430 57.965 1.465 18223
4979 1 11 . 1 1 92 92 SER CB C 83 63.870 63.870 63.843 0.027 18223
4980 1 11 . 1 1 92 92 SER H H 83 8.007 8.007 8.617 -0.610 18223
4981 1 11 . 1 1 93 93 GLY N N 84 110.518 110.518 112.299 -1.781 18223
4982 1 11 . 1 1 93 93 GLY C C 84 174.740 174.740 173.857 0.883 18223
4983 1 11 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.907 0.023 18223
4984 1 11 . 1 1 93 93 GLY H H 84 8.099 8.099 8.423 -0.324 18223
4985 1 11 . 1 1 94 94 LYS N N 85 120.088 120.088 120.748 -0.660 18223
4986 1 11 . 1 1 94 94 LYS CA C 85 56.443 56.443 55.702 0.741 18223
4987 1 11 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.700 -0.341 18223
4988 1 11 . 1 1 94 94 LYS H H 85 7.810 7.810 8.121 -0.311 18223
4989 1 11 . 1 1 95 95 PHE N N 86 118.766 118.766 121.279 -2.513 18223
4990 1 11 . 1 1 95 95 PHE CA C 86 57.810 57.810 59.540 -1.730 18223
4991 1 11 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.670 0.611 18223
4992 1 11 . 1 1 95 95 PHE H H 86 7.911 7.911 8.570 -0.659 18223
4993 1 11 . 1 1 96 96 MET N N 87 120.600 120.600 121.484 -0.884 18223
4994 1 11 . 1 1 96 96 MET CA C 87 53.150 53.150 56.018 -2.868 18223
4995 1 11 . 1 1 96 96 MET H H 87 7.670 7.670 8.040 -0.370 18223
4996 1 11 . 1 1 97 97 PRO C C 88 176.820 176.820 175.993 0.827 18223
4997 1 11 . 1 1 98 98 ALA N N 89 124.300 124.300 119.593 4.707 18223
4998 1 11 . 1 1 98 98 ALA C C 89 179.480 179.480 176.319 3.161 18223
4999 1 11 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.360 1.030 18223
5000 1 11 . 1 1 98 98 ALA CB C 89 18.802 18.802 18.722 0.080 18223
5001 1 11 . 1 1 98 98 ALA H H 89 8.302 8.302 7.438 0.864 18223
5002 1 11 . 1 1 99 99 GLY N N 90 107.011 107.011 108.649 -1.638 18223
5003 1 11 . 1 1 99 99 GLY C C 90 174.920 174.920 174.525 0.395 18223
5004 1 11 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.874 1.006 18223
5005 1 11 . 1 1 99 99 GLY H H 90 8.341 8.341 8.001 0.340 18223
5006 1 11 . 1 1 100 100 LEU N N 91 120.873 120.873 123.867 -2.994 18223
5007 1 11 . 1 1 100 100 LEU C C 91 177.250 177.250 177.555 -0.305 18223
5008 1 11 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.408 -1.308 18223
5009 1 11 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.212 -0.118 18223
5010 1 11 . 1 1 100 100 LEU H H 91 7.732 7.732 8.215 -0.483 18223
5011 1 11 . 1 1 101 101 ILE N N 92 118.245 118.245 119.083 -0.838 18223
5012 1 11 . 1 1 101 101 ILE C C 92 177.130 177.130 176.701 0.429 18223
5013 1 11 . 1 1 101 101 ILE CA C 92 60.914 60.914 63.952 -3.038 18223
5014 1 11 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.684 0.444 18223
5015 1 11 . 1 1 101 101 ILE H H 92 7.668 7.668 8.586 -0.918 18223
5016 1 11 . 1 1 102 102 ALA N N 93 127.523 127.523 122.014 5.509 18223
5017 1 11 . 1 1 102 102 ALA C C 93 179.370 179.370 179.649 -0.279 18223
5018 1 11 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.113 -2.275 18223
5019 1 11 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.229 0.790 18223
5020 1 11 . 1 1 102 102 ALA H H 93 8.110 8.110 8.099 0.011 18223
5021 1 11 . 1 1 103 103 GLY N N 94 109.013 109.013 107.378 1.635 18223
5022 1 11 . 1 1 103 103 GLY C C 94 175.290 175.290 176.010 -0.720 18223
5023 1 11 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.072 -1.652 18223
5024 1 11 . 1 1 103 103 GLY H H 94 8.180 8.180 8.020 0.160 18223
5025 1 11 . 1 1 104 104 ALA N N 95 123.130 123.130 124.087 -0.957 18223
5026 1 11 . 1 1 104 104 ALA C C 95 180.040 180.040 179.791 0.249 18223
5027 1 11 . 1 1 104 104 ALA H H 95 8.230 8.230 8.330 -0.100 18223
5028 1 11 . 1 1 105 105 SER N N 96 114.606 114.606 115.197 -0.591 18223
5029 1 11 . 1 1 105 105 SER C C 96 176.140 176.140 176.877 -0.737 18223
5030 1 11 . 1 1 105 105 SER H H 96 7.915 7.915 7.979 -0.064 18223
5031 1 11 . 1 1 106 106 LEU N N 97 122.651 122.651 123.248 -0.597 18223
5032 1 11 . 1 1 106 106 LEU C C 97 179.140 179.140 178.007 1.133 18223
5033 1 11 . 1 1 106 106 LEU H H 97 8.066 8.066 8.025 0.041 18223
5034 1 11 . 1 1 108 108 MET N N 99 118.381 118.381 118.630 -0.249 18223
5035 1 11 . 1 1 108 108 MET C C 99 178.830 178.830 178.404 0.426 18223
5036 1 11 . 1 1 108 108 MET CA C 99 58.730 58.730 59.790 -1.060 18223
5037 1 11 . 1 1 108 108 MET H H 99 7.682 7.682 8.328 -0.646 18223
5038 1 11 . 1 1 109 109 VAL N N 100 118.713 118.713 119.613 -0.900 18223
5039 1 11 . 1 1 109 109 VAL C C 100 177.930 177.930 177.553 0.377 18223
5040 1 11 . 1 1 109 109 VAL CA C 100 66.230 66.230 67.462 -1.232 18223
5041 1 11 . 1 1 109 109 VAL H H 100 7.821 7.821 8.068 -0.247 18223
5042 1 11 . 1 1 110 110 ALA N N 101 122.160 122.160 120.897 1.263 18223
5043 1 11 . 1 1 110 110 ALA C C 101 180.470 180.470 179.257 1.213 18223
5044 1 11 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.240 0.100 18223
5045 1 11 . 1 1 110 110 ALA H H 101 8.110 8.110 7.876 0.234 18223
5046 1 11 . 1 1 111 111 LYS N N 102 120.260 120.260 120.053 0.207 18223
5047 1 11 . 1 1 111 111 LYS C C 102 177.490 177.490 178.755 -1.265 18223
5048 1 11 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.082 -1.592 18223
5049 1 11 . 1 1 111 111 LYS H H 102 7.870 7.870 7.924 -0.054 18223
5050 1 11 . 1 1 112 112 VAL N N 103 120.410 120.410 117.509 2.901 18223
5051 1 11 . 1 1 112 112 VAL C C 103 176.240 176.240 177.542 -1.302 18223
5052 1 11 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.686 0.034 18223
5053 1 11 . 1 1 112 112 VAL H H 103 7.990 7.990 8.098 -0.108 18223
5054 1 11 . 1 1 113 113 GLY N N 104 108.926 108.926 107.777 1.149 18223
5055 1 11 . 1 1 113 113 GLY C C 104 175.150 175.150 174.515 0.635 18223
5056 1 11 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.222 1.428 18223
5057 1 11 . 1 1 113 113 GLY H H 104 8.477 8.477 7.735 0.742 18223
5058 1 11 . 1 1 114 114 VAL N N 105 119.350 119.350 116.062 3.288 18223
5059 1 11 . 1 1 114 114 VAL C C 105 178.390 178.390 174.676 3.714 18223
5060 1 11 . 1 1 114 114 VAL CA C 105 66.140 66.140 59.908 6.232 18223
5061 1 11 . 1 1 114 114 VAL H H 105 8.310 8.310 8.127 0.183 18223
5062 1 11 . 1 1 115 115 SER N N 106 115.964 115.964 111.904 4.060 18223
5063 1 11 . 1 1 115 115 SER C C 106 177.250 177.250 173.588 3.662 18223
5064 1 11 . 1 1 115 115 SER CA C 106 61.130 61.130 59.212 1.918 18223
5065 1 11 . 1 1 115 115 SER H H 106 7.815 7.815 8.179 -0.364 18223
5066 1 11 . 1 1 116 116 MET N N 107 120.190 120.190 121.216 -1.026 18223
5067 1 11 . 1 1 116 116 MET C C 107 177.190 177.190 175.207 1.983 18223
5068 1 11 . 1 1 116 116 MET CA C 107 57.450 57.450 57.013 0.437 18223
5069 1 11 . 1 1 116 116 MET H H 107 7.820 7.820 8.296 -0.476 18223
5070 1 11 . 1 1 117 117 PHE N N 108 117.325 117.325 121.413 -4.088 18223
5071 1 11 . 1 1 117 117 PHE C C 108 175.740 175.740 173.742 1.998 18223
5072 1 11 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.245 1.625 18223
5073 1 11 . 1 1 117 117 PHE H H 108 7.735 7.735 8.103 -0.368 18223
5074 1 11 . 1 1 118 118 ASN N N 109 118.878 118.878 122.057 -3.179 18223
5075 1 11 . 1 1 118 118 ASN C C 109 174.830 174.830 172.831 1.999 18223
5076 1 11 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.761 0.299 18223
5077 1 11 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.551 -0.486 18223
5078 1 11 . 1 1 118 118 ASN H H 109 7.907 7.907 7.987 -0.080 18223
5079 1 11 . 1 1 119 119 ARG N N 110 122.870 122.870 121.921 0.949 18223
5080 1 11 . 1 1 119 119 ARG CA C 110 54.150 54.150 53.284 0.866 18223
5081 1 11 . 1 1 119 119 ARG H H 110 7.894 7.894 8.249 -0.355 18223
5082 1 11 . 1 1 120 120 PRO C C 111 176.590 176.590 176.655 -0.065 18223
5083 1 12 . 1 1 11 11 GLN C C 2 176.170 176.170 175.039 1.131 18223
5084 1 12 . 1 1 12 12 ASP N N 3 120.369 120.369 121.438 -1.069 18223
5085 1 12 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.645 -0.495 18223
5086 1 12 . 1 1 12 12 ASP C C 3 176.980 176.980 176.174 0.806 18223
5087 1 12 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.207 0.630 18223
5088 1 12 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.139 -0.343 18223
5089 1 12 . 1 1 12 12 ASP H H 3 8.275 8.275 8.068 0.207 18223
5090 1 12 . 1 1 13 13 THR N N 4 114.220 114.220 114.665 -0.445 18223
5091 1 12 . 1 1 13 13 THR HA H 4 4.636 4.636 4.217 0.419 18223
5092 1 12 . 1 1 13 13 THR C C 4 175.530 175.530 176.356 -0.826 18223
5093 1 12 . 1 1 13 13 THR CA C 4 62.790 62.790 63.276 -0.486 18223
5094 1 12 . 1 1 13 13 THR CB C 4 69.134 69.134 69.324 -0.190 18223
5095 1 12 . 1 1 13 13 THR H H 4 7.990 7.990 8.279 -0.289 18223
5096 1 12 . 1 1 14 14 SER N N 5 117.664 117.664 119.035 -1.371 18223
5097 1 12 . 1 1 14 14 SER HA H 5 4.296 4.296 3.976 0.320 18223
5098 1 12 . 1 1 14 14 SER C C 5 175.200 175.200 174.988 0.212 18223
5099 1 12 . 1 1 14 14 SER CA C 5 59.443 59.443 60.369 -0.926 18223
5100 1 12 . 1 1 14 14 SER CB C 5 63.438 63.438 63.034 0.404 18223
5101 1 12 . 1 1 14 14 SER H H 5 8.255 8.255 8.567 -0.312 18223
5102 1 12 . 1 1 15 15 SER N N 6 117.093 117.093 114.741 2.352 18223
5103 1 12 . 1 1 15 15 SER HA H 6 4.317 4.317 4.357 -0.040 18223
5104 1 12 . 1 1 15 15 SER C C 6 174.770 174.770 173.383 1.387 18223
5105 1 12 . 1 1 15 15 SER CA C 6 58.737 58.737 59.522 -0.785 18223
5106 1 12 . 1 1 15 15 SER CB C 6 63.656 63.656 62.600 1.056 18223
5107 1 12 . 1 1 15 15 SER H H 6 8.050 8.050 8.643 -0.593 18223
5108 1 12 . 1 1 16 16 VAL N N 7 119.995 119.995 115.288 4.707 18223
5109 1 12 . 1 1 16 16 VAL C C 7 176.150 176.150 174.504 1.646 18223
5110 1 12 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.616 -0.873 18223
5111 1 12 . 1 1 16 16 VAL CB C 7 32.215 32.215 33.699 -1.484 18223
5112 1 12 . 1 1 16 16 VAL H H 7 7.775 7.775 7.376 0.399 18223
5113 1 12 . 1 1 17 17 VAL N N 8 121.090 121.090 117.687 3.403 18223
5114 1 12 . 1 1 17 17 VAL CA C 8 60.910 60.910 58.584 2.326 18223
5115 1 12 . 1 1 17 17 VAL H H 8 7.730 7.730 7.812 -0.082 18223
5116 1 12 . 1 1 18 18 PRO C C 9 178.410 178.410 178.175 0.235 18223
5117 1 12 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.368 1.142 18223
5118 1 12 . 1 1 19 19 LEU N N 10 121.410 121.410 123.577 -2.167 18223
5119 1 12 . 1 1 19 19 LEU C C 10 178.910 178.910 178.930 -0.020 18223
5120 1 12 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.804 -2.954 18223
5121 1 12 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.986 -0.541 18223
5122 1 12 . 1 1 19 19 LEU H H 10 7.930 7.930 8.732 -0.802 18223
5123 1 12 . 1 1 20 20 HIS N N 11 116.900 116.900 117.157 -0.257 18223
5124 1 12 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.357 0.274 18223
5125 1 12 . 1 1 20 20 HIS C C 11 174.990 174.990 177.868 -2.878 18223
5126 1 12 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.808 -3.808 18223
5127 1 12 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.349 -1.389 18223
5128 1 12 . 1 1 20 20 HIS H H 11 8.384 8.384 8.443 -0.059 18223
5129 1 12 . 1 1 21 21 TRP C C 12 177.660 177.660 178.930 -1.270 18223
5130 1 12 . 1 1 22 22 PHE N N 13 119.238 119.238 118.358 0.880 18223
5131 1 12 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.232 0.056 18223
5132 1 12 . 1 1 22 22 PHE C C 13 177.410 177.410 178.044 -0.634 18223
5133 1 12 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.611 -1.913 18223
5134 1 12 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.615 -0.272 18223
5135 1 12 . 1 1 22 22 PHE H H 13 7.883 7.883 8.779 -0.896 18223
5136 1 12 . 1 1 23 23 GLY N N 14 107.209 107.209 106.494 0.715 18223
5137 1 12 . 1 1 23 23 GLY C C 14 176.220 176.220 176.008 0.212 18223
5138 1 12 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.267 -0.187 18223
5139 1 12 . 1 1 23 23 GLY H H 14 7.911 7.911 8.319 -0.408 18223
5140 1 12 . 1 1 24 24 PHE N N 15 121.880 121.880 123.518 -1.638 18223
5141 1 12 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.387 0.026 18223
5142 1 12 . 1 1 24 24 PHE C C 15 177.840 177.840 177.556 0.284 18223
5143 1 12 . 1 1 24 24 PHE CA C 15 60.090 60.090 59.116 0.974 18223
5144 1 12 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.976 -0.127 18223
5145 1 12 . 1 1 24 24 PHE H H 15 7.900 7.900 8.441 -0.541 18223
5146 1 12 . 1 1 25 25 GLY N N 16 107.640 107.640 107.609 0.031 18223
5147 1 12 . 1 1 25 25 GLY C C 16 174.910 174.910 175.895 -0.985 18223
5148 1 12 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.125 0.205 18223
5149 1 12 . 1 1 25 25 GLY H H 16 8.320 8.320 8.615 -0.295 18223
5150 1 12 . 1 1 26 26 TYR N N 17 121.804 121.804 122.521 -0.717 18223
5151 1 12 . 1 1 26 26 TYR C C 17 177.120 177.120 177.608 -0.488 18223
5152 1 12 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.761 -0.091 18223
5153 1 12 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.135 0.267 18223
5154 1 12 . 1 1 26 26 TYR H H 17 8.365 8.365 8.103 0.262 18223
5155 1 12 . 1 1 27 27 ALA N N 18 120.785 120.785 120.606 0.179 18223
5156 1 12 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.937 -0.054 18223
5157 1 12 . 1 1 27 27 ALA C C 18 178.790 178.790 179.288 -0.498 18223
5158 1 12 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.074 -0.034 18223
5159 1 12 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.930 -0.209 18223
5160 1 12 . 1 1 27 27 ALA H H 18 7.949 7.949 8.244 -0.295 18223
5161 1 12 . 1 1 28 28 ALA N N 19 120.210 120.210 120.701 -0.491 18223
5162 1 12 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.389 0.461 18223
5163 1 12 . 1 1 28 28 ALA CB C 19 17.721 17.721 17.892 -0.171 18223
5164 1 12 . 1 1 28 28 ALA H H 19 7.870 7.870 7.722 0.148 18223
5165 1 12 . 1 1 29 29 LEU N N 20 120.090 120.090 121.496 -1.406 18223
5166 1 12 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.757 -5.756 18223
5167 1 12 . 1 1 29 29 LEU H H 20 8.000 8.000 7.730 0.270 18223
5168 1 12 . 1 1 30 30 VAL N N 21 118.299 118.299 119.614 -1.315 18223
5169 1 12 . 1 1 30 30 VAL C C 21 178.920 178.920 178.029 0.891 18223
5170 1 12 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.152 -0.532 18223
5171 1 12 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.268 0.009 18223
5172 1 12 . 1 1 30 30 VAL H H 21 7.947 7.947 8.091 -0.144 18223
5173 1 12 . 1 1 31 31 ALA N N 22 122.600 122.600 121.055 1.545 18223
5174 1 12 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.938 0.235 18223
5175 1 12 . 1 1 31 31 ALA C C 22 179.540 179.540 179.546 -0.006 18223
5176 1 12 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.409 -1.201 18223
5177 1 12 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.096 0.346 18223
5178 1 12 . 1 1 31 31 ALA H H 22 7.819 7.819 8.185 -0.366 18223
5179 1 12 . 1 1 32 32 SER N N 23 113.502 113.502 115.846 -2.344 18223
5180 1 12 . 1 1 32 32 SER HA H 23 4.015 4.015 3.966 0.049 18223
5181 1 12 . 1 1 32 32 SER C C 23 175.890 175.890 176.915 -1.025 18223
5182 1 12 . 1 1 32 32 SER CA C 23 60.490 60.490 61.733 -1.244 18223
5183 1 12 . 1 1 32 32 SER CB C 23 63.510 63.510 62.447 1.063 18223
5184 1 12 . 1 1 32 32 SER H H 23 7.826 7.826 8.183 -0.357 18223
5185 1 12 . 1 1 33 33 GLY N N 24 109.939 109.939 108.762 1.177 18223
5186 1 12 . 1 1 33 33 GLY C C 24 176.180 176.180 175.614 0.566 18223
5187 1 12 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.967 -0.317 18223
5188 1 12 . 1 1 33 33 GLY H H 24 7.985 7.985 8.336 -0.351 18223
5189 1 12 . 1 1 34 34 GLY N N 25 109.396 109.396 110.297 -0.901 18223
5190 1 12 . 1 1 34 34 GLY C C 25 175.330 175.330 176.161 -0.831 18223
5191 1 12 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.762 -0.592 18223
5192 1 12 . 1 1 34 34 GLY H H 25 8.235 8.235 7.803 0.432 18223
5193 1 12 . 1 1 35 35 ILE N N 26 120.211 120.211 123.373 -3.162 18223
5194 1 12 . 1 1 35 35 ILE C C 26 177.400 177.400 178.046 -0.646 18223
5195 1 12 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.306 -1.476 18223
5196 1 12 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.231 -0.392 18223
5197 1 12 . 1 1 35 35 ILE H H 26 7.998 7.998 7.914 0.084 18223
5198 1 12 . 1 1 36 36 ILE N N 27 120.051 120.051 119.439 0.612 18223
5199 1 12 . 1 1 36 36 ILE C C 27 177.900 177.900 177.792 0.108 18223
5200 1 12 . 1 1 36 36 ILE CA C 27 63.850 63.850 65.192 -1.342 18223
5201 1 12 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.131 -0.301 18223
5202 1 12 . 1 1 36 36 ILE H H 27 7.998 7.998 8.691 -0.693 18223
5203 1 12 . 1 1 37 37 GLY N N 28 107.531 107.531 107.044 0.487 18223
5204 1 12 . 1 1 37 37 GLY C C 28 176.120 176.120 176.026 0.094 18223
5205 1 12 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.331 0.469 18223
5206 1 12 . 1 1 37 37 GLY H H 28 7.983 7.983 7.424 0.559 18223
5207 1 12 . 1 1 38 38 TYR N N 29 120.900 120.900 121.567 -0.667 18223
5208 1 12 . 1 1 38 38 TYR C C 29 176.530 176.530 177.482 -0.952 18223
5209 1 12 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.114 -0.383 18223
5210 1 12 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.646 -0.158 18223
5211 1 12 . 1 1 38 38 TYR H H 29 7.726 7.726 7.958 -0.232 18223
5212 1 12 . 1 1 39 39 VAL N N 30 117.958 117.958 115.755 2.203 18223
5213 1 12 . 1 1 39 39 VAL C C 30 177.600 177.600 177.036 0.564 18223
5214 1 12 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.217 0.158 18223
5215 1 12 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.315 -0.894 18223
5216 1 12 . 1 1 39 39 VAL H H 30 7.849 7.849 8.200 -0.351 18223
5217 1 12 . 1 1 40 40 LYS N N 31 120.116 120.116 116.888 3.228 18223
5218 1 12 . 1 1 40 40 LYS C C 31 177.090 177.090 174.820 2.270 18223
5219 1 12 . 1 1 40 40 LYS CA C 31 57.770 57.770 57.850 -0.080 18223
5220 1 12 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.615 0.600 18223
5221 1 12 . 1 1 40 40 LYS H H 31 8.072 8.072 7.496 0.576 18223
5222 1 12 . 1 1 41 41 ALA N N 32 122.082 122.082 120.146 1.936 18223
5223 1 12 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.386 -0.145 18223
5224 1 12 . 1 1 41 41 ALA C C 32 178.780 178.780 176.234 2.546 18223
5225 1 12 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.857 1.403 18223
5226 1 12 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.793 -1.063 18223
5227 1 12 . 1 1 41 41 ALA H H 32 7.786 7.786 7.460 0.326 18223
5228 1 12 . 1 1 42 42 GLY N N 33 106.746 106.746 107.016 -0.270 18223
5229 1 12 . 1 1 42 42 GLY C C 33 174.790 174.790 174.175 0.615 18223
5230 1 12 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.863 0.957 18223
5231 1 12 . 1 1 42 42 GLY H H 33 7.964 7.964 8.368 -0.404 18223
5232 1 12 . 1 1 43 43 SER N N 34 115.541 115.541 117.788 -2.247 18223
5233 1 12 . 1 1 43 43 SER HA H 34 4.491 4.491 4.491 0.000 18223
5234 1 12 . 1 1 43 43 SER C C 34 174.920 174.920 175.404 -0.484 18223
5235 1 12 . 1 1 43 43 SER CA C 34 58.730 58.730 57.645 1.085 18223
5236 1 12 . 1 1 43 43 SER CB C 34 63.798 63.798 63.717 0.081 18223
5237 1 12 . 1 1 43 43 SER H H 34 8.049 8.049 7.971 0.078 18223
5238 1 12 . 1 1 44 44 VAL N N 35 121.887 121.887 127.691 -5.804 18223
5239 1 12 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.354 -1.024 18223
5240 1 12 . 1 1 44 44 VAL CB C 35 29.330 29.330 29.835 -0.505 18223
5241 1 12 . 1 1 44 44 VAL H H 35 8.332 8.332 8.887 -0.555 18223
5242 1 12 . 1 1 46 46 SER N N 37 113.762 113.762 113.900 -0.138 18223
5243 1 12 . 1 1 46 46 SER CA C 37 61.130 61.130 61.536 -0.406 18223
5244 1 12 . 1 1 46 46 SER CB C 37 62.789 62.789 62.977 -0.188 18223
5245 1 12 . 1 1 46 46 SER H H 37 7.924 7.924 8.235 -0.311 18223
5246 1 12 . 1 1 47 47 LEU N N 38 124.450 124.450 121.677 2.773 18223
5247 1 12 . 1 1 47 47 LEU C C 38 176.440 176.440 178.493 -2.053 18223
5248 1 12 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.569 -0.209 18223
5249 1 12 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.094 0.711 18223
5250 1 12 . 1 1 47 47 LEU H H 38 8.108 8.108 7.530 0.578 18223
5251 1 12 . 1 1 48 48 ALA N N 39 121.290 121.290 120.870 0.420 18223
5252 1 12 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.135 -0.525 18223
5253 1 12 . 1 1 48 48 ALA H H 39 8.250 8.250 7.803 0.447 18223
5254 1 12 . 1 1 49 49 ALA N N 40 120.070 120.070 119.453 0.617 18223
5255 1 12 . 1 1 49 49 ALA C C 40 179.910 179.910 179.678 0.232 18223
5256 1 12 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.962 0.147 18223
5257 1 12 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.380 -0.299 18223
5258 1 12 . 1 1 49 49 ALA H H 40 8.145 8.145 8.496 -0.351 18223
5259 1 12 . 1 1 50 50 GLY N N 41 104.977 104.977 107.675 -2.698 18223
5260 1 12 . 1 1 50 50 GLY C C 41 174.870 174.870 175.918 -1.048 18223
5261 1 12 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.801 0.124 18223
5262 1 12 . 1 1 50 50 GLY H H 41 8.103 8.103 7.970 0.133 18223
5263 1 12 . 1 1 51 51 LEU N N 42 122.431 122.431 122.593 -0.162 18223
5264 1 12 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.133 -0.803 18223
5265 1 12 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.064 -0.259 18223
5266 1 12 . 1 1 51 51 LEU H H 42 7.796 7.796 7.834 -0.038 18223
5267 1 12 . 1 1 52 52 LEU N N 43 119.483 119.483 119.834 -0.351 18223
5268 1 12 . 1 1 52 52 LEU C C 43 179.910 179.910 178.962 0.948 18223
5269 1 12 . 1 1 52 52 LEU CA C 43 57.770 57.770 59.007 -1.237 18223
5270 1 12 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.951 -0.579 18223
5271 1 12 . 1 1 52 52 LEU H H 43 7.862 7.862 7.922 -0.060 18223
5272 1 12 . 1 1 53 53 PHE N N 44 117.117 117.117 118.303 -1.186 18223
5273 1 12 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.310 0.061 18223
5274 1 12 . 1 1 53 53 PHE C C 44 178.530 178.530 177.951 0.579 18223
5275 1 12 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.041 -0.891 18223
5276 1 12 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.450 -0.322 18223
5277 1 12 . 1 1 53 53 PHE H H 44 8.343 8.343 8.445 -0.102 18223
5278 1 12 . 1 1 54 54 GLY N N 45 107.605 107.605 108.420 -0.815 18223
5279 1 12 . 1 1 54 54 GLY C C 45 176.400 176.400 176.224 0.176 18223
5280 1 12 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.419 -0.669 18223
5281 1 12 . 1 1 54 54 GLY H H 45 8.150 8.150 7.749 0.401 18223
5282 1 12 . 1 1 55 55 SER N N 46 117.713 117.713 118.515 -0.802 18223
5283 1 12 . 1 1 55 55 SER C C 46 176.130 176.130 176.789 -0.659 18223
5284 1 12 . 1 1 55 55 SER CA C 46 61.240 61.240 62.077 -0.837 18223
5285 1 12 . 1 1 55 55 SER CB C 46 63.294 63.294 63.269 0.025 18223
5286 1 12 . 1 1 55 55 SER H H 46 7.942 7.942 7.864 0.078 18223
5287 1 12 . 1 1 56 56 LEU N N 47 121.618 121.618 121.908 -0.290 18223
5288 1 12 . 1 1 56 56 LEU C C 47 178.510 178.510 177.630 0.880 18223
5289 1 12 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.052 -1.292 18223
5290 1 12 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.876 -0.720 18223
5291 1 12 . 1 1 56 56 LEU H H 47 7.910 7.910 8.109 -0.199 18223
5292 1 12 . 1 1 57 57 ALA N N 48 121.557 121.557 120.349 1.208 18223
5293 1 12 . 1 1 57 57 ALA C C 48 180.040 180.040 180.025 0.015 18223
5294 1 12 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.267 -0.717 18223
5295 1 12 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.157 -0.076 18223
5296 1 12 . 1 1 57 57 ALA H H 48 7.878 7.878 8.257 -0.379 18223
5297 1 12 . 1 1 58 58 GLY N N 49 106.435 106.435 108.230 -1.795 18223
5298 1 12 . 1 1 58 58 GLY C C 49 175.740 175.740 176.370 -0.630 18223
5299 1 12 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.205 -0.925 18223
5300 1 12 . 1 1 58 58 GLY H H 49 8.085 8.085 8.503 -0.418 18223
5301 1 12 . 1 1 59 59 LEU N N 50 121.230 121.230 122.680 -1.450 18223
5302 1 12 . 1 1 59 59 LEU C C 50 178.390 178.390 180.140 -1.750 18223
5303 1 12 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.512 -1.082 18223
5304 1 12 . 1 1 59 59 LEU CB C 50 41.661 41.661 40.847 0.813 18223
5305 1 12 . 1 1 59 59 LEU H H 50 7.770 7.770 8.568 -0.798 18223
5306 1 12 . 1 1 60 60 GLY N N 51 106.525 106.525 107.191 -0.666 18223
5307 1 12 . 1 1 60 60 GLY C C 51 174.820 174.820 175.565 -0.745 18223
5308 1 12 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.058 -0.768 18223
5309 1 12 . 1 1 60 60 GLY H H 51 8.090 8.090 8.025 0.065 18223
5310 1 12 . 1 1 61 61 ALA N N 52 122.773 122.773 123.893 -1.120 18223
5311 1 12 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.958 0.144 18223
5312 1 12 . 1 1 61 61 ALA C C 52 178.320 178.320 178.349 -0.029 18223
5313 1 12 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.796 -0.376 18223
5314 1 12 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.559 -0.117 18223
5315 1 12 . 1 1 61 61 ALA H H 52 7.819 7.819 7.988 -0.169 18223
5316 1 12 . 1 1 62 62 TYR N N 53 118.481 118.481 120.304 -1.823 18223
5317 1 12 . 1 1 62 62 TYR C C 53 176.390 176.390 174.732 1.658 18223
5318 1 12 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.726 2.274 18223
5319 1 12 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.399 1.945 18223
5320 1 12 . 1 1 62 62 TYR H H 53 7.794 7.794 7.533 0.261 18223
5321 1 12 . 1 1 63 63 GLN N N 54 120.770 120.770 118.574 2.196 18223
5322 1 12 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.884 -0.324 18223
5323 1 12 . 1 1 63 63 GLN CB C 54 28.648 28.648 26.697 1.951 18223
5324 1 12 . 1 1 63 63 GLN H H 54 8.033 8.033 8.714 -0.681 18223
5325 1 12 . 1 1 64 64 LEU N N 55 121.847 121.847 116.532 5.315 18223
5326 1 12 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.007 0.163 18223
5327 1 12 . 1 1 64 64 LEU C C 55 177.790 177.790 175.247 2.543 18223
5328 1 12 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.462 0.548 18223
5329 1 12 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.050 -0.245 18223
5330 1 12 . 1 1 64 64 LEU H H 55 8.018 8.018 8.044 -0.026 18223
5331 1 12 . 1 1 65 65 SER N N 56 113.937 113.937 114.246 -0.309 18223
5332 1 12 . 1 1 65 65 SER C C 56 174.710 174.710 175.277 -0.567 18223
5333 1 12 . 1 1 65 65 SER CA C 56 59.050 59.050 59.953 -0.903 18223
5334 1 12 . 1 1 65 65 SER CB C 56 63.554 63.554 63.149 0.405 18223
5335 1 12 . 1 1 65 65 SER H H 56 7.892 7.892 8.452 -0.560 18223
5336 1 12 . 1 1 66 66 GLN N N 57 120.154 120.154 121.043 -0.889 18223
5337 1 12 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.358 -0.115 18223
5338 1 12 . 1 1 66 66 GLN C C 57 175.760 175.760 175.106 0.654 18223
5339 1 12 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.291 -0.641 18223
5340 1 12 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.160 0.388 18223
5341 1 12 . 1 1 66 66 GLN H H 57 7.625 7.625 7.926 -0.301 18223
5342 1 12 . 1 1 67 67 ASP N N 58 120.090 120.090 119.833 0.257 18223
5343 1 12 . 1 1 67 67 ASP CA C 58 52.000 52.000 53.461 -1.460 18223
5344 1 12 . 1 1 67 67 ASP H H 58 8.000 8.000 8.215 -0.215 18223
5345 1 12 . 1 1 68 68 PRO C C 59 177.890 177.890 179.058 -1.168 18223
5346 1 12 . 1 1 69 69 ARG N N 60 117.806 117.806 119.455 -1.649 18223
5347 1 12 . 1 1 69 69 ARG C C 60 178.330 178.330 178.811 -0.481 18223
5348 1 12 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.006 -1.111 18223
5349 1 12 . 1 1 69 69 ARG CB C 60 29.202 29.202 30.104 -0.902 18223
5350 1 12 . 1 1 69 69 ARG H H 60 8.402 8.402 8.044 0.358 18223
5351 1 12 . 1 1 70 70 ASN N N 61 116.920 116.920 117.917 -0.997 18223
5352 1 12 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.424 -1.124 18223
5353 1 12 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.142 -0.075 18223
5354 1 12 . 1 1 70 70 ASN H H 61 7.930 7.930 8.280 -0.350 18223
5355 1 12 . 1 1 71 71 VAL N N 62 120.795 120.795 121.262 -0.467 18223
5356 1 12 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.752 -0.825 18223
5357 1 12 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.920 -0.926 18223
5358 1 12 . 1 1 71 71 VAL H H 62 7.783 7.783 7.674 0.109 18223
5359 1 12 . 1 1 72 72 TRP N N 63 120.550 120.550 120.746 -0.196 18223
5360 1 12 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.190 0.227 18223
5361 1 12 . 1 1 72 72 TRP C C 63 177.850 177.850 178.166 -0.316 18223
5362 1 12 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.026 -1.896 18223
5363 1 12 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.319 -0.006 18223
5364 1 12 . 1 1 72 72 TRP H H 63 7.760 7.760 7.994 -0.234 18223
5365 1 12 . 1 1 73 73 VAL N N 64 117.896 117.896 118.646 -0.750 18223
5366 1 12 . 1 1 73 73 VAL C C 64 179.270 179.270 178.105 1.165 18223
5367 1 12 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.075 -0.545 18223
5368 1 12 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.605 -0.297 18223
5369 1 12 . 1 1 73 73 VAL H H 64 7.905 7.905 7.971 -0.066 18223
5370 1 12 . 1 1 74 74 PHE N N 65 122.086 122.086 120.709 1.377 18223
5371 1 12 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.302 -0.077 18223
5372 1 12 . 1 1 74 74 PHE C C 65 177.760 177.760 176.244 1.516 18223
5373 1 12 . 1 1 74 74 PHE CA C 65 61.290 61.290 60.222 1.068 18223
5374 1 12 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.584 -0.024 18223
5375 1 12 . 1 1 74 74 PHE H H 65 7.857 7.857 8.328 -0.471 18223
5376 1 12 . 1 1 75 75 LEU N N 66 121.304 121.304 122.019 -0.715 18223
5377 1 12 . 1 1 75 75 LEU C C 66 179.060 179.060 178.191 0.869 18223
5378 1 12 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.218 -0.418 18223
5379 1 12 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.247 0.053 18223
5380 1 12 . 1 1 75 75 LEU H H 66 8.326 8.326 7.693 0.633 18223
5381 1 12 . 1 1 76 76 ALA N N 67 120.420 120.420 119.278 1.142 18223
5382 1 12 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.714 0.682 18223
5383 1 12 . 1 1 76 76 ALA C C 67 180.180 180.180 179.339 0.841 18223
5384 1 12 . 1 1 76 76 ALA CA C 67 54.590 54.590 54.895 -0.305 18223
5385 1 12 . 1 1 76 76 ALA H H 67 8.283 8.283 7.857 0.426 18223
5386 1 12 . 1 1 77 77 THR N N 68 111.152 111.152 115.170 -4.018 18223
5387 1 12 . 1 1 77 77 THR C C 68 175.830 175.830 176.534 -0.704 18223
5388 1 12 . 1 1 77 77 THR CA C 68 64.159 64.159 66.469 -2.310 18223
5389 1 12 . 1 1 77 77 THR CB C 68 69.711 69.711 68.462 1.249 18223
5390 1 12 . 1 1 77 77 THR H H 68 7.951 7.951 7.709 0.242 18223
5391 1 12 . 1 1 78 78 SER N N 69 117.883 117.883 117.102 0.781 18223
5392 1 12 . 1 1 78 78 SER C C 69 176.000 176.000 176.944 -0.944 18223
5393 1 12 . 1 1 78 78 SER CA C 69 60.730 60.730 61.534 -0.804 18223
5394 1 12 . 1 1 78 78 SER H H 69 7.839 7.839 8.020 -0.181 18223
5395 1 12 . 1 1 79 79 GLY N N 70 111.078 111.078 108.636 2.442 18223
5396 1 12 . 1 1 79 79 GLY C C 70 175.830 175.830 175.982 -0.152 18223
5397 1 12 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.174 -0.464 18223
5398 1 12 . 1 1 79 79 GLY H H 70 8.269 8.269 8.013 0.256 18223
5399 1 12 . 1 1 80 80 THR N N 71 117.727 117.727 119.405 -1.678 18223
5400 1 12 . 1 1 80 80 THR C C 71 176.110 176.110 176.643 -0.533 18223
5401 1 12 . 1 1 80 80 THR CA C 71 66.178 66.178 65.813 0.365 18223
5402 1 12 . 1 1 80 80 THR CB C 71 68.630 68.630 68.674 -0.044 18223
5403 1 12 . 1 1 80 80 THR H H 71 7.823 7.823 8.176 -0.353 18223
5404 1 12 . 1 1 81 81 LEU N N 72 121.422 121.422 122.139 -0.717 18223
5405 1 12 . 1 1 81 81 LEU C C 72 178.620 178.620 177.730 0.890 18223
5406 1 12 . 1 1 81 81 LEU CA C 72 57.690 57.690 57.282 0.408 18223
5407 1 12 . 1 1 81 81 LEU H H 72 7.846 7.846 8.143 -0.297 18223
5408 1 12 . 1 1 82 82 ALA N N 73 121.160 121.160 119.823 1.337 18223
5409 1 12 . 1 1 82 82 ALA C C 73 180.440 180.440 178.559 1.881 18223
5410 1 12 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.698 1.482 18223
5411 1 12 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.197 -0.332 18223
5412 1 12 . 1 1 82 82 ALA H H 73 8.050 8.050 8.039 0.011 18223
5413 1 12 . 1 1 83 83 GLY N N 74 106.017 106.017 107.185 -1.168 18223
5414 1 12 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.198 0.812 18223
5415 1 12 . 1 1 83 83 GLY H H 74 8.132 8.132 7.892 0.240 18223
5416 1 12 . 1 1 84 84 ILE N N 75 122.030 122.030 120.767 1.263 18223
5417 1 12 . 1 1 84 84 ILE C C 75 178.530 178.530 176.612 1.918 18223
5418 1 12 . 1 1 84 84 ILE CA C 75 64.730 64.730 61.560 3.170 18223
5419 1 12 . 1 1 84 84 ILE CB C 75 37.767 37.767 39.128 -1.361 18223
5420 1 12 . 1 1 84 84 ILE H H 75 7.930 7.930 8.096 -0.166 18223
5421 1 12 . 1 1 85 85 MET N N 76 117.920 117.920 117.353 0.567 18223
5422 1 12 . 1 1 85 85 MET CA C 76 57.810 57.810 55.046 2.764 18223
5423 1 12 . 1 1 85 85 MET H H 76 8.140 8.140 8.162 -0.022 18223
5424 1 12 . 1 1 86 86 GLY N N 77 109.118 109.118 113.230 -4.112 18223
5425 1 12 . 1 1 86 86 GLY CA C 77 45.771 45.771 46.240 -0.469 18223
5426 1 12 . 1 1 86 86 GLY H H 77 7.920 7.920 8.530 -0.610 18223
5427 1 12 . 1 1 87 87 MET N N 78 119.220 119.220 119.506 -0.286 18223
5428 1 12 . 1 1 87 87 MET CA C 78 55.810 55.810 56.456 -0.645 18223
5429 1 12 . 1 1 87 87 MET H H 78 7.950 7.950 7.923 0.027 18223
5430 1 12 . 1 1 88 88 ARG N N 79 120.090 120.090 119.681 0.409 18223
5431 1 12 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.582 -3.582 18223
5432 1 12 . 1 1 88 88 ARG H H 79 8.000 8.000 8.411 -0.411 18223
5433 1 12 . 1 1 90 90 TYR C C 81 176.310 176.310 175.276 1.034 18223
5434 1 12 . 1 1 91 91 HIS N N 82 118.270 118.270 119.040 -0.770 18223
5435 1 12 . 1 1 91 91 HIS C C 82 174.940 174.940 176.191 -1.251 18223
5436 1 12 . 1 1 91 91 HIS CA C 82 55.850 55.850 58.385 -2.535 18223
5437 1 12 . 1 1 91 91 HIS H H 82 8.130 8.130 8.675 -0.545 18223
5438 1 12 . 1 1 92 92 SER N N 83 115.818 115.818 110.681 5.137 18223
5439 1 12 . 1 1 92 92 SER C C 83 175.470 175.470 174.645 0.825 18223
5440 1 12 . 1 1 92 92 SER CA C 83 59.430 59.430 58.492 0.938 18223
5441 1 12 . 1 1 92 92 SER CB C 83 63.870 63.870 64.219 -0.349 18223
5442 1 12 . 1 1 92 92 SER H H 83 8.007 8.007 8.530 -0.523 18223
5443 1 12 . 1 1 93 93 GLY N N 84 110.518 110.518 110.957 -0.439 18223
5444 1 12 . 1 1 93 93 GLY C C 84 174.740 174.740 174.216 0.524 18223
5445 1 12 . 1 1 93 93 GLY CA C 84 45.930 45.930 46.631 -0.701 18223
5446 1 12 . 1 1 93 93 GLY H H 84 8.099 8.099 8.817 -0.718 18223
5447 1 12 . 1 1 94 94 LYS N N 85 120.088 120.088 117.898 2.190 18223
5448 1 12 . 1 1 94 94 LYS CA C 85 56.443 56.443 57.083 -0.640 18223
5449 1 12 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.167 -0.808 18223
5450 1 12 . 1 1 94 94 LYS H H 85 7.810 7.810 8.116 -0.306 18223
5451 1 12 . 1 1 95 95 PHE N N 86 118.766 118.766 111.772 6.994 18223
5452 1 12 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.967 -0.157 18223
5453 1 12 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.089 1.192 18223
5454 1 12 . 1 1 95 95 PHE H H 86 7.911 7.911 7.520 0.391 18223
5455 1 12 . 1 1 96 96 MET N N 87 120.600 120.600 120.173 0.427 18223
5456 1 12 . 1 1 96 96 MET CA C 87 53.150 53.150 59.474 -6.324 18223
5457 1 12 . 1 1 96 96 MET H H 87 7.670 7.670 7.042 0.628 18223
5458 1 12 . 1 1 97 97 PRO C C 88 176.820 176.820 176.335 0.485 18223
5459 1 12 . 1 1 98 98 ALA N N 89 124.300 124.300 120.670 3.630 18223
5460 1 12 . 1 1 98 98 ALA C C 89 179.480 179.480 176.863 2.617 18223
5461 1 12 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.055 1.335 18223
5462 1 12 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.148 -1.346 18223
5463 1 12 . 1 1 98 98 ALA H H 89 8.302 8.302 7.541 0.761 18223
5464 1 12 . 1 1 99 99 GLY N N 90 107.011 107.011 112.091 -5.080 18223
5465 1 12 . 1 1 99 99 GLY C C 90 174.920 174.920 174.626 0.294 18223
5466 1 12 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.239 0.641 18223
5467 1 12 . 1 1 99 99 GLY H H 90 8.341 8.341 8.809 -0.468 18223
5468 1 12 . 1 1 100 100 LEU N N 91 120.873 120.873 123.988 -3.115 18223
5469 1 12 . 1 1 100 100 LEU C C 91 177.250 177.250 178.502 -1.252 18223
5470 1 12 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.028 -1.928 18223
5471 1 12 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.797 0.298 18223
5472 1 12 . 1 1 100 100 LEU H H 91 7.732 7.732 8.556 -0.824 18223
5473 1 12 . 1 1 101 101 ILE N N 92 118.245 118.245 119.226 -0.981 18223
5474 1 12 . 1 1 101 101 ILE C C 92 177.130 177.130 176.792 0.338 18223
5475 1 12 . 1 1 101 101 ILE CA C 92 60.914 60.914 63.999 -3.085 18223
5476 1 12 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.765 0.363 18223
5477 1 12 . 1 1 101 101 ILE H H 92 7.668 7.668 8.393 -0.725 18223
5478 1 12 . 1 1 102 102 ALA N N 93 127.523 127.523 121.420 6.103 18223
5479 1 12 . 1 1 102 102 ALA C C 93 179.370 179.370 179.575 -0.205 18223
5480 1 12 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.528 -2.690 18223
5481 1 12 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.700 1.319 18223
5482 1 12 . 1 1 102 102 ALA H H 93 8.110 8.110 7.943 0.167 18223
5483 1 12 . 1 1 103 103 GLY N N 94 109.013 109.013 107.435 1.578 18223
5484 1 12 . 1 1 103 103 GLY C C 94 175.290 175.290 175.893 -0.603 18223
5485 1 12 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.969 -1.550 18223
5486 1 12 . 1 1 103 103 GLY H H 94 8.180 8.180 7.853 0.327 18223
5487 1 12 . 1 1 104 104 ALA N N 95 123.130 123.130 124.479 -1.349 18223
5488 1 12 . 1 1 104 104 ALA C C 95 180.040 180.040 179.569 0.471 18223
5489 1 12 . 1 1 104 104 ALA H H 95 8.230 8.230 8.393 -0.163 18223
5490 1 12 . 1 1 105 105 SER N N 96 114.606 114.606 113.589 1.017 18223
5491 1 12 . 1 1 105 105 SER C C 96 176.140 176.140 176.615 -0.475 18223
5492 1 12 . 1 1 105 105 SER H H 96 7.915 7.915 8.006 -0.091 18223
5493 1 12 . 1 1 106 106 LEU N N 97 122.651 122.651 122.081 0.570 18223
5494 1 12 . 1 1 106 106 LEU C C 97 179.140 179.140 178.337 0.803 18223
5495 1 12 . 1 1 106 106 LEU H H 97 8.066 8.066 7.214 0.852 18223
5496 1 12 . 1 1 108 108 MET N N 99 118.381 118.381 118.790 -0.409 18223
5497 1 12 . 1 1 108 108 MET C C 99 178.830 178.830 178.434 0.396 18223
5498 1 12 . 1 1 108 108 MET CA C 99 58.730 58.730 59.574 -0.844 18223
5499 1 12 . 1 1 108 108 MET H H 99 7.682 7.682 8.482 -0.800 18223
5500 1 12 . 1 1 109 109 VAL N N 100 118.713 118.713 118.721 -0.008 18223
5501 1 12 . 1 1 109 109 VAL C C 100 177.930 177.930 177.611 0.319 18223
5502 1 12 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.291 -0.061 18223
5503 1 12 . 1 1 109 109 VAL H H 100 7.821 7.821 7.956 -0.135 18223
5504 1 12 . 1 1 110 110 ALA N N 101 122.160 122.160 121.323 0.837 18223
5505 1 12 . 1 1 110 110 ALA C C 101 180.470 180.470 179.285 1.185 18223
5506 1 12 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.208 0.132 18223
5507 1 12 . 1 1 110 110 ALA H H 101 8.110 8.110 8.007 0.103 18223
5508 1 12 . 1 1 111 111 LYS N N 102 120.260 120.260 119.294 0.966 18223
5509 1 12 . 1 1 111 111 LYS C C 102 177.490 177.490 178.000 -0.510 18223
5510 1 12 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.389 -1.899 18223
5511 1 12 . 1 1 111 111 LYS H H 102 7.870 7.870 7.876 -0.006 18223
5512 1 12 . 1 1 112 112 VAL N N 103 120.410 120.410 117.635 2.775 18223
5513 1 12 . 1 1 112 112 VAL C C 103 176.240 176.240 177.388 -1.148 18223
5514 1 12 . 1 1 112 112 VAL CA C 103 65.720 65.720 64.917 0.803 18223
5515 1 12 . 1 1 112 112 VAL H H 103 7.990 7.990 8.007 -0.017 18223
5516 1 12 . 1 1 113 113 GLY N N 104 108.926 108.926 107.581 1.345 18223
5517 1 12 . 1 1 113 113 GLY C C 104 175.150 175.150 175.384 -0.234 18223
5518 1 12 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.828 0.822 18223
5519 1 12 . 1 1 113 113 GLY H H 104 8.477 8.477 7.971 0.506 18223
5520 1 12 . 1 1 114 114 VAL N N 105 119.350 119.350 118.099 1.251 18223
5521 1 12 . 1 1 114 114 VAL C C 105 178.390 178.390 175.153 3.237 18223
5522 1 12 . 1 1 114 114 VAL CA C 105 66.140 66.140 61.772 4.368 18223
5523 1 12 . 1 1 114 114 VAL H H 105 8.310 8.310 7.891 0.419 18223
5524 1 12 . 1 1 115 115 SER N N 106 115.964 115.964 113.114 2.850 18223
5525 1 12 . 1 1 115 115 SER C C 106 177.250 177.250 174.523 2.727 18223
5526 1 12 . 1 1 115 115 SER CA C 106 61.130 61.130 57.392 3.738 18223
5527 1 12 . 1 1 115 115 SER H H 106 7.815 7.815 8.171 -0.356 18223
5528 1 12 . 1 1 116 116 MET N N 107 120.190 120.190 118.026 2.164 18223
5529 1 12 . 1 1 116 116 MET C C 107 177.190 177.190 174.924 2.266 18223
5530 1 12 . 1 1 116 116 MET CA C 107 57.450 57.450 57.362 0.088 18223
5531 1 12 . 1 1 116 116 MET H H 107 7.820 7.820 8.527 -0.707 18223
5532 1 12 . 1 1 117 117 PHE N N 108 117.325 117.325 118.432 -1.107 18223
5533 1 12 . 1 1 117 117 PHE C C 108 175.740 175.740 176.056 -0.316 18223
5534 1 12 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.871 -0.001 18223
5535 1 12 . 1 1 117 117 PHE H H 108 7.735 7.735 8.251 -0.516 18223
5536 1 12 . 1 1 118 118 ASN N N 109 118.878 118.878 121.114 -2.236 18223
5537 1 12 . 1 1 118 118 ASN C C 109 174.830 174.830 174.758 0.072 18223
5538 1 12 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.677 -0.617 18223
5539 1 12 . 1 1 118 118 ASN CB C 109 39.065 39.065 40.030 -0.965 18223
5540 1 12 . 1 1 118 118 ASN H H 109 7.907 7.907 8.766 -0.859 18223
5541 1 12 . 1 1 119 119 ARG N N 110 122.870 122.870 119.980 2.890 18223
5542 1 12 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.407 -1.256 18223
5543 1 12 . 1 1 119 119 ARG H H 110 7.894 7.894 8.234 -0.340 18223
5544 1 12 . 1 1 120 120 PRO C C 111 176.590 176.590 176.411 0.179 18223
5545 1 13 . 1 1 11 11 GLN C C 2 176.170 176.170 174.133 2.037 18223
5546 1 13 . 1 1 12 12 ASP N N 3 120.369 120.369 118.899 1.470 18223
5547 1 13 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.777 -0.627 18223
5548 1 13 . 1 1 12 12 ASP C C 3 176.980 176.980 174.557 2.423 18223
5549 1 13 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.068 0.769 18223
5550 1 13 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.444 -1.648 18223
5551 1 13 . 1 1 12 12 ASP H H 3 8.275 8.275 8.637 -0.362 18223
5552 1 13 . 1 1 13 13 THR N N 4 114.220 114.220 115.228 -1.008 18223
5553 1 13 . 1 1 13 13 THR HA H 4 4.636 4.636 4.087 0.549 18223
5554 1 13 . 1 1 13 13 THR C C 4 175.530 175.530 174.143 1.387 18223
5555 1 13 . 1 1 13 13 THR CA C 4 62.790 62.790 62.407 0.383 18223
5556 1 13 . 1 1 13 13 THR CB C 4 69.134 69.134 69.079 0.055 18223
5557 1 13 . 1 1 13 13 THR H H 4 7.990 7.990 8.165 -0.175 18223
5558 1 13 . 1 1 14 14 SER N N 5 117.664 117.664 117.821 -0.157 18223
5559 1 13 . 1 1 14 14 SER HA H 5 4.296 4.296 4.471 -0.175 18223
5560 1 13 . 1 1 14 14 SER C C 5 175.200 175.200 174.326 0.874 18223
5561 1 13 . 1 1 14 14 SER CA C 5 59.443 59.443 58.738 0.705 18223
5562 1 13 . 1 1 14 14 SER CB C 5 63.438 63.438 61.423 2.015 18223
5563 1 13 . 1 1 14 14 SER H H 5 8.255 8.255 8.676 -0.421 18223
5564 1 13 . 1 1 15 15 SER N N 6 117.093 117.093 116.546 0.547 18223
5565 1 13 . 1 1 15 15 SER HA H 6 4.317 4.317 4.237 0.080 18223
5566 1 13 . 1 1 15 15 SER C C 6 174.770 174.770 174.425 0.345 18223
5567 1 13 . 1 1 15 15 SER CA C 6 58.737 58.737 60.308 -1.571 18223
5568 1 13 . 1 1 15 15 SER CB C 6 63.656 63.656 63.226 0.430 18223
5569 1 13 . 1 1 15 15 SER H H 6 8.050 8.050 8.548 -0.498 18223
5570 1 13 . 1 1 16 16 VAL N N 7 119.995 119.995 111.784 8.211 18223
5571 1 13 . 1 1 16 16 VAL C C 7 176.150 176.150 174.589 1.561 18223
5572 1 13 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.336 0.407 18223
5573 1 13 . 1 1 16 16 VAL CB C 7 32.215 32.215 33.461 -1.246 18223
5574 1 13 . 1 1 16 16 VAL H H 7 7.775 7.775 7.515 0.260 18223
5575 1 13 . 1 1 17 17 VAL N N 8 121.090 121.090 116.076 5.014 18223
5576 1 13 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.999 0.911 18223
5577 1 13 . 1 1 17 17 VAL H H 8 7.730 7.730 7.531 0.199 18223
5578 1 13 . 1 1 18 18 PRO C C 9 178.410 178.410 177.549 0.861 18223
5579 1 13 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.170 1.339 18223
5580 1 13 . 1 1 19 19 LEU N N 10 121.410 121.410 122.480 -1.070 18223
5581 1 13 . 1 1 19 19 LEU C C 10 178.910 178.910 178.723 0.187 18223
5582 1 13 . 1 1 19 19 LEU CA C 10 56.850 56.850 57.797 -0.947 18223
5583 1 13 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.102 0.343 18223
5584 1 13 . 1 1 19 19 LEU H H 10 7.930 7.930 8.741 -0.811 18223
5585 1 13 . 1 1 20 20 HIS N N 11 116.900 116.900 117.369 -0.469 18223
5586 1 13 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.263 0.368 18223
5587 1 13 . 1 1 20 20 HIS C C 11 174.990 174.990 178.082 -3.092 18223
5588 1 13 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.545 -2.545 18223
5589 1 13 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.460 -1.500 18223
5590 1 13 . 1 1 20 20 HIS H H 11 8.384 8.384 8.434 -0.050 18223
5591 1 13 . 1 1 21 21 TRP C C 12 177.660 177.660 178.884 -1.224 18223
5592 1 13 . 1 1 22 22 PHE N N 13 119.238 119.238 118.155 1.083 18223
5593 1 13 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.097 0.191 18223
5594 1 13 . 1 1 22 22 PHE C C 13 177.410 177.410 177.933 -0.523 18223
5595 1 13 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.592 -1.894 18223
5596 1 13 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.875 -0.531 18223
5597 1 13 . 1 1 22 22 PHE H H 13 7.883 7.883 8.822 -0.939 18223
5598 1 13 . 1 1 23 23 GLY N N 14 107.209 107.209 106.282 0.927 18223
5599 1 13 . 1 1 23 23 GLY C C 14 176.220 176.220 176.006 0.214 18223
5600 1 13 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.573 -0.493 18223
5601 1 13 . 1 1 23 23 GLY H H 14 7.911 7.911 8.447 -0.536 18223
5602 1 13 . 1 1 24 24 PHE N N 15 121.880 121.880 123.047 -1.167 18223
5603 1 13 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.309 0.104 18223
5604 1 13 . 1 1 24 24 PHE C C 15 177.840 177.840 178.198 -0.358 18223
5605 1 13 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.798 -0.708 18223
5606 1 13 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.050 -0.201 18223
5607 1 13 . 1 1 24 24 PHE H H 15 7.900 7.900 8.095 -0.195 18223
5608 1 13 . 1 1 25 25 GLY N N 16 107.640 107.640 106.964 0.676 18223
5609 1 13 . 1 1 25 25 GLY C C 16 174.910 174.910 175.823 -0.913 18223
5610 1 13 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.215 0.115 18223
5611 1 13 . 1 1 25 25 GLY H H 16 8.320 8.320 9.113 -0.793 18223
5612 1 13 . 1 1 26 26 TYR N N 17 121.804 121.804 123.699 -1.895 18223
5613 1 13 . 1 1 26 26 TYR C C 17 177.120 177.120 177.013 0.107 18223
5614 1 13 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.600 0.070 18223
5615 1 13 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.493 -0.092 18223
5616 1 13 . 1 1 26 26 TYR H H 17 8.365 8.365 8.348 0.017 18223
5617 1 13 . 1 1 27 27 ALA N N 18 120.785 120.785 120.169 0.616 18223
5618 1 13 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.882 0.001 18223
5619 1 13 . 1 1 27 27 ALA C C 18 178.790 178.790 179.398 -0.608 18223
5620 1 13 . 1 1 27 27 ALA CA C 18 55.040 55.040 54.994 0.046 18223
5621 1 13 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.954 -0.233 18223
5622 1 13 . 1 1 27 27 ALA H H 18 7.949 7.949 8.321 -0.372 18223
5623 1 13 . 1 1 28 28 ALA N N 19 120.210 120.210 120.856 -0.646 18223
5624 1 13 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.527 0.323 18223
5625 1 13 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.394 -0.673 18223
5626 1 13 . 1 1 28 28 ALA H H 19 7.870 7.870 8.160 -0.290 18223
5627 1 13 . 1 1 29 29 LEU N N 20 120.090 120.090 121.195 -1.105 18223
5628 1 13 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.056 -6.056 18223
5629 1 13 . 1 1 29 29 LEU H H 20 8.000 8.000 7.755 0.245 18223
5630 1 13 . 1 1 30 30 VAL N N 21 118.299 118.299 116.798 1.501 18223
5631 1 13 . 1 1 30 30 VAL C C 21 178.920 178.920 178.078 0.842 18223
5632 1 13 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.233 -0.613 18223
5633 1 13 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.688 0.589 18223
5634 1 13 . 1 1 30 30 VAL H H 21 7.947 7.947 7.883 0.064 18223
5635 1 13 . 1 1 31 31 ALA N N 22 122.600 122.600 121.588 1.012 18223
5636 1 13 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.920 0.253 18223
5637 1 13 . 1 1 31 31 ALA C C 22 179.540 179.540 179.328 0.212 18223
5638 1 13 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.086 -0.878 18223
5639 1 13 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.006 0.436 18223
5640 1 13 . 1 1 31 31 ALA H H 22 7.819 7.819 8.079 -0.260 18223
5641 1 13 . 1 1 32 32 SER N N 23 113.502 113.502 114.565 -1.063 18223
5642 1 13 . 1 1 32 32 SER HA H 23 4.015 4.015 4.096 -0.081 18223
5643 1 13 . 1 1 32 32 SER C C 23 175.890 175.890 176.968 -1.078 18223
5644 1 13 . 1 1 32 32 SER CA C 23 60.490 60.490 61.472 -0.982 18223
5645 1 13 . 1 1 32 32 SER CB C 23 63.510 63.510 62.892 0.618 18223
5646 1 13 . 1 1 32 32 SER H H 23 7.826 7.826 8.224 -0.398 18223
5647 1 13 . 1 1 33 33 GLY N N 24 109.939 109.939 109.289 0.650 18223
5648 1 13 . 1 1 33 33 GLY C C 24 176.180 176.180 175.504 0.676 18223
5649 1 13 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.958 -0.308 18223
5650 1 13 . 1 1 33 33 GLY H H 24 7.985 7.985 8.261 -0.276 18223
5651 1 13 . 1 1 34 34 GLY N N 25 109.396 109.396 110.210 -0.814 18223
5652 1 13 . 1 1 34 34 GLY C C 25 175.330 175.330 175.960 -0.630 18223
5653 1 13 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.708 -0.538 18223
5654 1 13 . 1 1 34 34 GLY H H 25 8.235 8.235 7.762 0.473 18223
5655 1 13 . 1 1 35 35 ILE N N 26 120.211 120.211 123.208 -2.997 18223
5656 1 13 . 1 1 35 35 ILE C C 26 177.400 177.400 178.290 -0.890 18223
5657 1 13 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.152 -1.322 18223
5658 1 13 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.114 -0.275 18223
5659 1 13 . 1 1 35 35 ILE H H 26 7.998 7.998 7.985 0.013 18223
5660 1 13 . 1 1 36 36 ILE N N 27 120.051 120.051 119.389 0.662 18223
5661 1 13 . 1 1 36 36 ILE C C 27 177.900 177.900 177.691 0.209 18223
5662 1 13 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.987 -1.137 18223
5663 1 13 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.931 -0.101 18223
5664 1 13 . 1 1 36 36 ILE H H 27 7.998 7.998 8.672 -0.674 18223
5665 1 13 . 1 1 37 37 GLY N N 28 107.531 107.531 107.495 0.036 18223
5666 1 13 . 1 1 37 37 GLY C C 28 176.120 176.120 176.033 0.087 18223
5667 1 13 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.365 0.435 18223
5668 1 13 . 1 1 37 37 GLY H H 28 7.983 7.983 7.449 0.534 18223
5669 1 13 . 1 1 38 38 TYR N N 29 120.900 120.900 123.513 -2.613 18223
5670 1 13 . 1 1 38 38 TYR C C 29 176.530 176.530 177.064 -0.534 18223
5671 1 13 . 1 1 38 38 TYR CA C 29 60.730 60.730 60.999 -0.269 18223
5672 1 13 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.629 -0.141 18223
5673 1 13 . 1 1 38 38 TYR H H 29 7.726 7.726 8.070 -0.344 18223
5674 1 13 . 1 1 39 39 VAL N N 30 117.958 117.958 114.630 3.328 18223
5675 1 13 . 1 1 39 39 VAL C C 30 177.600 177.600 176.754 0.846 18223
5676 1 13 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.834 0.541 18223
5677 1 13 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.037 -0.616 18223
5678 1 13 . 1 1 39 39 VAL H H 30 7.849 7.849 8.339 -0.490 18223
5679 1 13 . 1 1 40 40 LYS N N 31 120.116 120.116 116.791 3.325 18223
5680 1 13 . 1 1 40 40 LYS C C 31 177.090 177.090 174.989 2.101 18223
5681 1 13 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.179 -0.409 18223
5682 1 13 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.824 0.391 18223
5683 1 13 . 1 1 40 40 LYS H H 31 8.072 8.072 7.696 0.376 18223
5684 1 13 . 1 1 41 41 ALA N N 32 122.082 122.082 120.478 1.604 18223
5685 1 13 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.392 -0.151 18223
5686 1 13 . 1 1 41 41 ALA C C 32 178.780 178.780 176.149 2.631 18223
5687 1 13 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.945 1.315 18223
5688 1 13 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.139 -1.409 18223
5689 1 13 . 1 1 41 41 ALA H H 32 7.786 7.786 7.601 0.185 18223
5690 1 13 . 1 1 42 42 GLY N N 33 106.746 106.746 107.737 -0.991 18223
5691 1 13 . 1 1 42 42 GLY C C 33 174.790 174.790 174.013 0.777 18223
5692 1 13 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.799 1.021 18223
5693 1 13 . 1 1 42 42 GLY H H 33 7.964 7.964 8.345 -0.381 18223
5694 1 13 . 1 1 43 43 SER N N 34 115.541 115.541 118.050 -2.509 18223
5695 1 13 . 1 1 43 43 SER HA H 34 4.491 4.491 4.605 -0.114 18223
5696 1 13 . 1 1 43 43 SER C C 34 174.920 174.920 175.364 -0.444 18223
5697 1 13 . 1 1 43 43 SER CA C 34 58.730 58.730 57.968 0.762 18223
5698 1 13 . 1 1 43 43 SER CB C 34 63.798 63.798 63.782 0.016 18223
5699 1 13 . 1 1 43 43 SER H H 34 8.049 8.049 7.998 0.051 18223
5700 1 13 . 1 1 44 44 VAL N N 35 121.887 121.887 126.371 -4.484 18223
5701 1 13 . 1 1 44 44 VAL CA C 35 65.330 65.330 66.340 -1.010 18223
5702 1 13 . 1 1 44 44 VAL CB C 35 29.330 29.330 29.538 -0.208 18223
5703 1 13 . 1 1 44 44 VAL H H 35 8.332 8.332 8.845 -0.513 18223
5704 1 13 . 1 1 46 46 SER N N 37 113.762 113.762 115.212 -1.450 18223
5705 1 13 . 1 1 46 46 SER CA C 37 61.130 61.130 61.754 -0.624 18223
5706 1 13 . 1 1 46 46 SER CB C 37 62.789 62.789 62.716 0.073 18223
5707 1 13 . 1 1 46 46 SER H H 37 7.924 7.924 8.186 -0.262 18223
5708 1 13 . 1 1 47 47 LEU N N 38 124.450 124.450 121.902 2.548 18223
5709 1 13 . 1 1 47 47 LEU C C 38 176.440 176.440 178.514 -2.074 18223
5710 1 13 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.011 -0.651 18223
5711 1 13 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.518 0.287 18223
5712 1 13 . 1 1 47 47 LEU H H 38 8.108 8.108 7.628 0.480 18223
5713 1 13 . 1 1 48 48 ALA N N 39 121.290 121.290 120.821 0.469 18223
5714 1 13 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.096 -0.486 18223
5715 1 13 . 1 1 48 48 ALA H H 39 8.250 8.250 7.830 0.420 18223
5716 1 13 . 1 1 49 49 ALA N N 40 120.070 120.070 119.481 0.589 18223
5717 1 13 . 1 1 49 49 ALA C C 40 179.910 179.910 179.708 0.202 18223
5718 1 13 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.964 0.146 18223
5719 1 13 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.462 -0.381 18223
5720 1 13 . 1 1 49 49 ALA H H 40 8.145 8.145 8.334 -0.189 18223
5721 1 13 . 1 1 50 50 GLY N N 41 104.977 104.977 107.829 -2.852 18223
5722 1 13 . 1 1 50 50 GLY C C 41 174.870 174.870 176.016 -1.146 18223
5723 1 13 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.943 -0.018 18223
5724 1 13 . 1 1 50 50 GLY H H 41 8.103 8.103 7.981 0.122 18223
5725 1 13 . 1 1 51 51 LEU N N 42 122.431 122.431 122.375 0.056 18223
5726 1 13 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.897 -0.567 18223
5727 1 13 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.778 0.028 18223
5728 1 13 . 1 1 51 51 LEU H H 42 7.796 7.796 7.772 0.024 18223
5729 1 13 . 1 1 52 52 LEU N N 43 119.483 119.483 120.302 -0.819 18223
5730 1 13 . 1 1 52 52 LEU C C 43 179.910 179.910 179.554 0.356 18223
5731 1 13 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.357 -0.587 18223
5732 1 13 . 1 1 52 52 LEU CB C 43 41.372 41.372 40.981 0.391 18223
5733 1 13 . 1 1 52 52 LEU H H 43 7.862 7.862 7.906 -0.044 18223
5734 1 13 . 1 1 53 53 PHE N N 44 117.117 117.117 116.456 0.661 18223
5735 1 13 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.334 0.037 18223
5736 1 13 . 1 1 53 53 PHE C C 44 178.530 178.530 178.186 0.344 18223
5737 1 13 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.122 -0.972 18223
5738 1 13 . 1 1 53 53 PHE CB C 44 38.128 38.128 37.618 0.510 18223
5739 1 13 . 1 1 53 53 PHE H H 44 8.343 8.343 8.282 0.061 18223
5740 1 13 . 1 1 54 54 GLY N N 45 107.605 107.605 108.829 -1.224 18223
5741 1 13 . 1 1 54 54 GLY C C 45 176.400 176.400 175.677 0.723 18223
5742 1 13 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.504 -0.754 18223
5743 1 13 . 1 1 54 54 GLY H H 45 8.150 8.150 7.741 0.409 18223
5744 1 13 . 1 1 55 55 SER N N 46 117.713 117.713 117.867 -0.154 18223
5745 1 13 . 1 1 55 55 SER C C 46 176.130 176.130 176.674 -0.544 18223
5746 1 13 . 1 1 55 55 SER CA C 46 61.240 61.240 61.596 -0.356 18223
5747 1 13 . 1 1 55 55 SER CB C 46 63.294 63.294 63.003 0.291 18223
5748 1 13 . 1 1 55 55 SER H H 46 7.942 7.942 7.935 0.007 18223
5749 1 13 . 1 1 56 56 LEU N N 47 121.618 121.618 122.556 -0.938 18223
5750 1 13 . 1 1 56 56 LEU C C 47 178.510 178.510 177.664 0.846 18223
5751 1 13 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.980 -1.220 18223
5752 1 13 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.964 -0.808 18223
5753 1 13 . 1 1 56 56 LEU H H 47 7.910 7.910 7.940 -0.030 18223
5754 1 13 . 1 1 57 57 ALA N N 48 121.557 121.557 120.184 1.373 18223
5755 1 13 . 1 1 57 57 ALA C C 48 180.040 180.040 179.876 0.164 18223
5756 1 13 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.214 -0.664 18223
5757 1 13 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.989 0.092 18223
5758 1 13 . 1 1 57 57 ALA H H 48 7.878 7.878 8.245 -0.367 18223
5759 1 13 . 1 1 58 58 GLY N N 49 106.435 106.435 107.696 -1.261 18223
5760 1 13 . 1 1 58 58 GLY C C 49 175.740 175.740 176.018 -0.278 18223
5761 1 13 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.869 -0.589 18223
5762 1 13 . 1 1 58 58 GLY H H 49 8.085 8.085 8.159 -0.074 18223
5763 1 13 . 1 1 59 59 LEU N N 50 121.230 121.230 122.651 -1.421 18223
5764 1 13 . 1 1 59 59 LEU C C 50 178.390 178.390 180.088 -1.698 18223
5765 1 13 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.540 -2.110 18223
5766 1 13 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.622 0.039 18223
5767 1 13 . 1 1 59 59 LEU H H 50 7.770 7.770 8.167 -0.397 18223
5768 1 13 . 1 1 60 60 GLY N N 51 106.525 106.525 106.586 -0.061 18223
5769 1 13 . 1 1 60 60 GLY C C 51 174.820 174.820 175.761 -0.941 18223
5770 1 13 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.105 -0.815 18223
5771 1 13 . 1 1 60 60 GLY H H 51 8.090 8.090 7.978 0.112 18223
5772 1 13 . 1 1 61 61 ALA N N 52 122.773 122.773 124.834 -2.061 18223
5773 1 13 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.061 0.041 18223
5774 1 13 . 1 1 61 61 ALA C C 52 178.320 178.320 177.510 0.810 18223
5775 1 13 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.510 -1.090 18223
5776 1 13 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.930 -0.488 18223
5777 1 13 . 1 1 61 61 ALA H H 52 7.819 7.819 8.178 -0.359 18223
5778 1 13 . 1 1 62 62 TYR N N 53 118.481 118.481 116.438 2.043 18223
5779 1 13 . 1 1 62 62 TYR C C 53 176.390 176.390 174.222 2.168 18223
5780 1 13 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.975 2.025 18223
5781 1 13 . 1 1 62 62 TYR CB C 53 38.344 38.344 38.423 -0.079 18223
5782 1 13 . 1 1 62 62 TYR H H 53 7.794 7.794 7.540 0.254 18223
5783 1 13 . 1 1 63 63 GLN N N 54 120.770 120.770 119.425 1.345 18223
5784 1 13 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.446 0.114 18223
5785 1 13 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.620 -2.972 18223
5786 1 13 . 1 1 63 63 GLN H H 54 8.033 8.033 8.461 -0.428 18223
5787 1 13 . 1 1 64 64 LEU N N 55 121.847 121.847 118.774 3.073 18223
5788 1 13 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.008 0.162 18223
5789 1 13 . 1 1 64 64 LEU C C 55 177.790 177.790 175.994 1.796 18223
5790 1 13 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.766 0.244 18223
5791 1 13 . 1 1 64 64 LEU CB C 55 41.805 41.805 41.695 0.110 18223
5792 1 13 . 1 1 64 64 LEU H H 55 8.018 8.018 8.810 -0.792 18223
5793 1 13 . 1 1 65 65 SER N N 56 113.937 113.937 113.314 0.623 18223
5794 1 13 . 1 1 65 65 SER C C 56 174.710 174.710 174.003 0.707 18223
5795 1 13 . 1 1 65 65 SER CA C 56 59.050 59.050 60.159 -1.109 18223
5796 1 13 . 1 1 65 65 SER CB C 56 63.554 63.554 62.247 1.307 18223
5797 1 13 . 1 1 65 65 SER H H 56 7.892 7.892 8.495 -0.603 18223
5798 1 13 . 1 1 66 66 GLN N N 57 120.154 120.154 118.286 1.868 18223
5799 1 13 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.417 -0.174 18223
5800 1 13 . 1 1 66 66 GLN C C 57 175.760 175.760 174.685 1.075 18223
5801 1 13 . 1 1 66 66 GLN CA C 57 55.650 55.650 55.803 -0.153 18223
5802 1 13 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.484 -0.936 18223
5803 1 13 . 1 1 66 66 GLN H H 57 7.625 7.625 7.579 0.046 18223
5804 1 13 . 1 1 67 67 ASP N N 58 120.090 120.090 122.839 -2.749 18223
5805 1 13 . 1 1 67 67 ASP CA C 58 52.000 52.000 53.228 -1.228 18223
5806 1 13 . 1 1 67 67 ASP H H 58 8.000 8.000 8.432 -0.432 18223
5807 1 13 . 1 1 68 68 PRO C C 59 177.890 177.890 178.880 -0.990 18223
5808 1 13 . 1 1 69 69 ARG N N 60 117.806 117.806 119.460 -1.654 18223
5809 1 13 . 1 1 69 69 ARG C C 60 178.330 178.330 178.476 -0.146 18223
5810 1 13 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.186 -1.291 18223
5811 1 13 . 1 1 69 69 ARG CB C 60 29.202 29.202 30.191 -0.989 18223
5812 1 13 . 1 1 69 69 ARG H H 60 8.402 8.402 8.375 0.027 18223
5813 1 13 . 1 1 70 70 ASN N N 61 116.920 116.920 117.860 -0.940 18223
5814 1 13 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.833 -1.533 18223
5815 1 13 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.312 -0.245 18223
5816 1 13 . 1 1 70 70 ASN H H 61 7.930 7.930 8.206 -0.276 18223
5817 1 13 . 1 1 71 71 VAL N N 62 120.795 120.795 120.720 0.075 18223
5818 1 13 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.372 -0.445 18223
5819 1 13 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.950 -0.956 18223
5820 1 13 . 1 1 71 71 VAL H H 62 7.783 7.783 7.406 0.377 18223
5821 1 13 . 1 1 72 72 TRP N N 63 120.550 120.550 120.425 0.125 18223
5822 1 13 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.205 0.212 18223
5823 1 13 . 1 1 72 72 TRP C C 63 177.850 177.850 178.519 -0.669 18223
5824 1 13 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.207 -2.077 18223
5825 1 13 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.445 -0.133 18223
5826 1 13 . 1 1 72 72 TRP H H 63 7.760 7.760 7.985 -0.225 18223
5827 1 13 . 1 1 73 73 VAL N N 64 117.896 117.896 118.234 -0.338 18223
5828 1 13 . 1 1 73 73 VAL C C 64 179.270 179.270 177.998 1.272 18223
5829 1 13 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.247 -0.717 18223
5830 1 13 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.455 -0.147 18223
5831 1 13 . 1 1 73 73 VAL H H 64 7.905 7.905 8.271 -0.366 18223
5832 1 13 . 1 1 74 74 PHE N N 65 122.086 122.086 119.478 2.608 18223
5833 1 13 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.251 -0.026 18223
5834 1 13 . 1 1 74 74 PHE C C 65 177.760 177.760 177.730 0.030 18223
5835 1 13 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.626 -1.336 18223
5836 1 13 . 1 1 74 74 PHE CB C 65 38.560 38.560 39.120 -0.560 18223
5837 1 13 . 1 1 74 74 PHE H H 65 7.857 7.857 8.131 -0.274 18223
5838 1 13 . 1 1 75 75 LEU N N 66 121.304 121.304 120.309 0.995 18223
5839 1 13 . 1 1 75 75 LEU C C 66 179.060 179.060 178.003 1.057 18223
5840 1 13 . 1 1 75 75 LEU CA C 66 57.800 57.800 56.447 1.353 18223
5841 1 13 . 1 1 75 75 LEU CB C 66 41.300 41.300 40.661 0.639 18223
5842 1 13 . 1 1 75 75 LEU H H 66 8.326 8.326 8.547 -0.221 18223
5843 1 13 . 1 1 76 76 ALA N N 67 120.420 120.420 121.350 -0.930 18223
5844 1 13 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.948 0.448 18223
5845 1 13 . 1 1 76 76 ALA C C 67 180.180 180.180 179.406 0.774 18223
5846 1 13 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.342 -0.752 18223
5847 1 13 . 1 1 76 76 ALA H H 67 8.283 8.283 8.197 0.086 18223
5848 1 13 . 1 1 77 77 THR N N 68 111.152 111.152 115.274 -4.122 18223
5849 1 13 . 1 1 77 77 THR C C 68 175.830 175.830 176.621 -0.791 18223
5850 1 13 . 1 1 77 77 THR CA C 68 64.159 64.159 66.465 -2.306 18223
5851 1 13 . 1 1 77 77 THR CB C 68 69.711 69.711 68.725 0.986 18223
5852 1 13 . 1 1 77 77 THR H H 68 7.951 7.951 8.246 -0.295 18223
5853 1 13 . 1 1 78 78 SER N N 69 117.883 117.883 114.963 2.920 18223
5854 1 13 . 1 1 78 78 SER C C 69 176.000 176.000 177.089 -1.089 18223
5855 1 13 . 1 1 78 78 SER CA C 69 60.730 60.730 61.090 -0.360 18223
5856 1 13 . 1 1 78 78 SER H H 69 7.839 7.839 8.034 -0.195 18223
5857 1 13 . 1 1 79 79 GLY N N 70 111.078 111.078 109.968 1.110 18223
5858 1 13 . 1 1 79 79 GLY C C 70 175.830 175.830 175.508 0.322 18223
5859 1 13 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.606 -0.896 18223
5860 1 13 . 1 1 79 79 GLY H H 70 8.269 8.269 7.829 0.440 18223
5861 1 13 . 1 1 80 80 THR N N 71 117.727 117.727 115.734 1.993 18223
5862 1 13 . 1 1 80 80 THR C C 71 176.110 176.110 176.726 -0.616 18223
5863 1 13 . 1 1 80 80 THR CA C 71 66.178 66.178 65.385 0.793 18223
5864 1 13 . 1 1 80 80 THR CB C 71 68.630 68.630 69.014 -0.384 18223
5865 1 13 . 1 1 80 80 THR H H 71 7.823 7.823 7.994 -0.171 18223
5866 1 13 . 1 1 81 81 LEU N N 72 121.422 121.422 122.236 -0.814 18223
5867 1 13 . 1 1 81 81 LEU C C 72 178.620 178.620 178.357 0.263 18223
5868 1 13 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.350 -0.660 18223
5869 1 13 . 1 1 81 81 LEU H H 72 7.846 7.846 8.138 -0.292 18223
5870 1 13 . 1 1 82 82 ALA N N 73 121.160 121.160 118.730 2.430 18223
5871 1 13 . 1 1 82 82 ALA C C 73 180.440 180.440 179.960 0.480 18223
5872 1 13 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.015 1.165 18223
5873 1 13 . 1 1 82 82 ALA CB C 73 17.865 17.865 19.063 -1.198 18223
5874 1 13 . 1 1 82 82 ALA H H 73 8.050 8.050 8.319 -0.269 18223
5875 1 13 . 1 1 83 83 GLY N N 74 106.017 106.017 109.499 -3.482 18223
5876 1 13 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.965 0.045 18223
5877 1 13 . 1 1 83 83 GLY H H 74 8.132 8.132 7.819 0.313 18223
5878 1 13 . 1 1 84 84 ILE N N 75 122.030 122.030 120.024 2.006 18223
5879 1 13 . 1 1 84 84 ILE C C 75 178.530 178.530 176.661 1.869 18223
5880 1 13 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.732 0.998 18223
5881 1 13 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.172 -0.405 18223
5882 1 13 . 1 1 84 84 ILE H H 75 7.930 7.930 8.110 -0.180 18223
5883 1 13 . 1 1 85 85 MET N N 76 117.920 117.920 117.095 0.825 18223
5884 1 13 . 1 1 85 85 MET CA C 76 57.810 57.810 54.010 3.800 18223
5885 1 13 . 1 1 85 85 MET H H 76 8.140 8.140 8.100 0.040 18223
5886 1 13 . 1 1 86 86 GLY N N 77 109.118 109.118 107.233 1.885 18223
5887 1 13 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.192 1.579 18223
5888 1 13 . 1 1 86 86 GLY H H 77 7.920 7.920 8.221 -0.301 18223
5889 1 13 . 1 1 87 87 MET N N 78 119.220 119.220 120.397 -1.177 18223
5890 1 13 . 1 1 87 87 MET CA C 78 55.810 55.810 56.204 -0.394 18223
5891 1 13 . 1 1 87 87 MET H H 78 7.950 7.950 8.245 -0.295 18223
5892 1 13 . 1 1 88 88 ARG N N 79 120.090 120.090 125.927 -5.837 18223
5893 1 13 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.253 -4.253 18223
5894 1 13 . 1 1 88 88 ARG H H 79 8.000 8.000 8.596 -0.596 18223
5895 1 13 . 1 1 90 90 TYR C C 81 176.310 176.310 175.217 1.093 18223
5896 1 13 . 1 1 91 91 HIS N N 82 118.270 118.270 124.738 -6.468 18223
5897 1 13 . 1 1 91 91 HIS C C 82 174.940 174.940 175.288 -0.348 18223
5898 1 13 . 1 1 91 91 HIS CA C 82 55.850 55.850 57.236 -1.386 18223
5899 1 13 . 1 1 91 91 HIS H H 82 8.130 8.130 8.175 -0.045 18223
5900 1 13 . 1 1 92 92 SER N N 83 115.818 115.818 113.662 2.156 18223
5901 1 13 . 1 1 92 92 SER C C 83 175.470 175.470 172.915 2.555 18223
5902 1 13 . 1 1 92 92 SER CA C 83 59.430 59.430 58.691 0.738 18223
5903 1 13 . 1 1 92 92 SER CB C 83 63.870 63.870 63.520 0.350 18223
5904 1 13 . 1 1 92 92 SER H H 83 8.007 8.007 8.754 -0.747 18223
5905 1 13 . 1 1 93 93 GLY N N 84 110.518 110.518 109.484 1.034 18223
5906 1 13 . 1 1 93 93 GLY C C 84 174.740 174.740 173.611 1.129 18223
5907 1 13 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.777 0.153 18223
5908 1 13 . 1 1 93 93 GLY H H 84 8.099 8.099 8.098 0.001 18223
5909 1 13 . 1 1 94 94 LYS N N 85 120.088 120.088 124.048 -3.960 18223
5910 1 13 . 1 1 94 94 LYS CA C 85 56.443 56.443 57.034 -0.591 18223
5911 1 13 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.698 -0.339 18223
5912 1 13 . 1 1 94 94 LYS H H 85 7.810 7.810 8.251 -0.441 18223
5913 1 13 . 1 1 95 95 PHE N N 86 118.766 118.766 116.976 1.790 18223
5914 1 13 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.548 -0.738 18223
5915 1 13 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.301 0.980 18223
5916 1 13 . 1 1 95 95 PHE H H 86 7.911 7.911 8.345 -0.434 18223
5917 1 13 . 1 1 96 96 MET N N 87 120.600 120.600 118.026 2.574 18223
5918 1 13 . 1 1 96 96 MET CA C 87 53.150 53.150 56.646 -3.496 18223
5919 1 13 . 1 1 96 96 MET H H 87 7.670 7.670 7.982 -0.312 18223
5920 1 13 . 1 1 97 97 PRO C C 88 176.820 176.820 176.467 0.353 18223
5921 1 13 . 1 1 98 98 ALA N N 89 124.300 124.300 127.827 -3.527 18223
5922 1 13 . 1 1 98 98 ALA C C 89 179.480 179.480 176.693 2.787 18223
5923 1 13 . 1 1 98 98 ALA CA C 89 53.390 53.390 53.597 -0.207 18223
5924 1 13 . 1 1 98 98 ALA CB C 89 18.802 18.802 17.894 0.908 18223
5925 1 13 . 1 1 98 98 ALA H H 89 8.302 8.302 8.245 0.057 18223
5926 1 13 . 1 1 99 99 GLY N N 90 107.011 107.011 105.861 1.150 18223
5927 1 13 . 1 1 99 99 GLY C C 90 174.920 174.920 174.578 0.342 18223
5928 1 13 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.728 1.152 18223
5929 1 13 . 1 1 99 99 GLY H H 90 8.341 8.341 8.041 0.300 18223
5930 1 13 . 1 1 100 100 LEU N N 91 120.873 120.873 125.572 -4.699 18223
5931 1 13 . 1 1 100 100 LEU C C 91 177.250 177.250 178.199 -0.949 18223
5932 1 13 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.440 -2.340 18223
5933 1 13 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.227 -0.133 18223
5934 1 13 . 1 1 100 100 LEU H H 91 7.732 7.732 8.601 -0.869 18223
5935 1 13 . 1 1 101 101 ILE N N 92 118.245 118.245 116.262 1.983 18223
5936 1 13 . 1 1 101 101 ILE C C 92 177.130 177.130 177.415 -0.285 18223
5937 1 13 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.575 -3.661 18223
5938 1 13 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.619 1.509 18223
5939 1 13 . 1 1 101 101 ILE H H 92 7.668 7.668 7.949 -0.281 18223
5940 1 13 . 1 1 102 102 ALA N N 93 127.523 127.523 123.422 4.101 18223
5941 1 13 . 1 1 102 102 ALA C C 93 179.370 179.370 179.953 -0.583 18223
5942 1 13 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.266 -2.428 18223
5943 1 13 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.323 1.696 18223
5944 1 13 . 1 1 102 102 ALA H H 93 8.110 8.110 8.359 -0.249 18223
5945 1 13 . 1 1 103 103 GLY N N 94 109.013 109.013 107.328 1.685 18223
5946 1 13 . 1 1 103 103 GLY C C 94 175.290 175.290 175.882 -0.592 18223
5947 1 13 . 1 1 103 103 GLY CA C 94 45.420 45.420 47.035 -1.615 18223
5948 1 13 . 1 1 103 103 GLY H H 94 8.180 8.180 8.039 0.141 18223
5949 1 13 . 1 1 104 104 ALA N N 95 123.130 123.130 124.703 -1.573 18223
5950 1 13 . 1 1 104 104 ALA C C 95 180.040 180.040 179.689 0.351 18223
5951 1 13 . 1 1 104 104 ALA H H 95 8.230 8.230 8.503 -0.273 18223
5952 1 13 . 1 1 105 105 SER N N 96 114.606 114.606 114.208 0.398 18223
5953 1 13 . 1 1 105 105 SER C C 96 176.140 176.140 176.711 -0.571 18223
5954 1 13 . 1 1 105 105 SER H H 96 7.915 7.915 7.892 0.023 18223
5955 1 13 . 1 1 106 106 LEU N N 97 122.651 122.651 122.865 -0.214 18223
5956 1 13 . 1 1 106 106 LEU C C 97 179.140 179.140 178.406 0.734 18223
5957 1 13 . 1 1 106 106 LEU H H 97 8.066 8.066 7.859 0.207 18223
5958 1 13 . 1 1 108 108 MET N N 99 118.381 118.381 118.825 -0.444 18223
5959 1 13 . 1 1 108 108 MET C C 99 178.830 178.830 178.671 0.159 18223
5960 1 13 . 1 1 108 108 MET CA C 99 58.730 58.730 59.195 -0.465 18223
5961 1 13 . 1 1 108 108 MET H H 99 7.682 7.682 8.432 -0.750 18223
5962 1 13 . 1 1 109 109 VAL N N 100 118.713 118.713 119.401 -0.688 18223
5963 1 13 . 1 1 109 109 VAL C C 100 177.930 177.930 177.497 0.433 18223
5964 1 13 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.131 0.099 18223
5965 1 13 . 1 1 109 109 VAL H H 100 7.821 7.821 8.134 -0.313 18223
5966 1 13 . 1 1 110 110 ALA N N 101 122.160 122.160 122.311 -0.151 18223
5967 1 13 . 1 1 110 110 ALA C C 101 180.470 180.470 179.364 1.106 18223
5968 1 13 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.569 -0.229 18223
5969 1 13 . 1 1 110 110 ALA H H 101 8.110 8.110 7.984 0.126 18223
5970 1 13 . 1 1 111 111 LYS N N 102 120.260 120.260 118.556 1.704 18223
5971 1 13 . 1 1 111 111 LYS C C 102 177.490 177.490 178.856 -1.366 18223
5972 1 13 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.403 -1.913 18223
5973 1 13 . 1 1 111 111 LYS H H 102 7.870 7.870 7.989 -0.119 18223
5974 1 13 . 1 1 112 112 VAL N N 103 120.410 120.410 117.246 3.164 18223
5975 1 13 . 1 1 112 112 VAL C C 103 176.240 176.240 177.947 -1.707 18223
5976 1 13 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.067 0.653 18223
5977 1 13 . 1 1 112 112 VAL H H 103 7.990 7.990 7.852 0.138 18223
5978 1 13 . 1 1 113 113 GLY N N 104 108.926 108.926 106.973 1.953 18223
5979 1 13 . 1 1 113 113 GLY C C 104 175.150 175.150 174.996 0.154 18223
5980 1 13 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.517 2.132 18223
5981 1 13 . 1 1 113 113 GLY H H 104 8.477 8.477 7.718 0.759 18223
5982 1 13 . 1 1 114 114 VAL N N 105 119.350 119.350 120.248 -0.898 18223
5983 1 13 . 1 1 114 114 VAL C C 105 178.390 178.390 175.648 2.742 18223
5984 1 13 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.657 3.483 18223
5985 1 13 . 1 1 114 114 VAL H H 105 8.310 8.310 7.838 0.472 18223
5986 1 13 . 1 1 115 115 SER N N 106 115.964 115.964 120.012 -4.048 18223
5987 1 13 . 1 1 115 115 SER C C 106 177.250 177.250 173.442 3.808 18223
5988 1 13 . 1 1 115 115 SER CA C 106 61.130 61.130 58.586 2.544 18223
5989 1 13 . 1 1 115 115 SER H H 106 7.815 7.815 8.484 -0.669 18223
5990 1 13 . 1 1 116 116 MET N N 107 120.190 120.190 125.287 -5.097 18223
5991 1 13 . 1 1 116 116 MET C C 107 177.190 177.190 176.436 0.754 18223
5992 1 13 . 1 1 116 116 MET CA C 107 57.450 57.450 54.436 3.014 18223
5993 1 13 . 1 1 116 116 MET H H 107 7.820 7.820 8.586 -0.766 18223
5994 1 13 . 1 1 117 117 PHE N N 108 117.325 117.325 121.011 -3.686 18223
5995 1 13 . 1 1 117 117 PHE C C 108 175.740 175.740 176.185 -0.445 18223
5996 1 13 . 1 1 117 117 PHE CA C 108 58.870 58.870 59.502 -0.632 18223
5997 1 13 . 1 1 117 117 PHE H H 108 7.735 7.735 8.891 -1.156 18223
5998 1 13 . 1 1 118 118 ASN N N 109 118.878 118.878 116.271 2.607 18223
5999 1 13 . 1 1 118 118 ASN C C 109 174.830 174.830 174.294 0.536 18223
6000 1 13 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.774 -0.714 18223
6001 1 13 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.596 0.469 18223
6002 1 13 . 1 1 118 118 ASN H H 109 7.907 7.907 8.335 -0.428 18223
6003 1 13 . 1 1 119 119 ARG N N 110 122.870 122.870 118.338 4.532 18223
6004 1 13 . 1 1 119 119 ARG CA C 110 54.150 54.150 56.157 -2.006 18223
6005 1 13 . 1 1 119 119 ARG H H 110 7.894 7.894 8.518 -0.624 18223
6006 1 13 . 1 1 120 120 PRO C C 111 176.590 176.590 176.870 -0.280 18223
6007 1 14 . 1 1 11 11 GLN C C 2 176.170 176.170 173.348 2.822 18223
6008 1 14 . 1 1 12 12 ASP N N 3 120.369 120.369 120.796 -0.427 18223
6009 1 14 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.899 -0.749 18223
6010 1 14 . 1 1 12 12 ASP C C 3 176.980 176.980 175.051 1.929 18223
6011 1 14 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.940 0.897 18223
6012 1 14 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.380 -1.584 18223
6013 1 14 . 1 1 12 12 ASP H H 3 8.275 8.275 8.512 -0.237 18223
6014 1 14 . 1 1 13 13 THR N N 4 114.220 114.220 113.908 0.312 18223
6015 1 14 . 1 1 13 13 THR HA H 4 4.636 4.636 4.012 0.624 18223
6016 1 14 . 1 1 13 13 THR C C 4 175.530 175.530 173.653 1.877 18223
6017 1 14 . 1 1 13 13 THR CA C 4 62.790 62.790 62.324 0.466 18223
6018 1 14 . 1 1 13 13 THR CB C 4 69.134 69.134 69.259 -0.125 18223
6019 1 14 . 1 1 13 13 THR H H 4 7.990 7.990 8.079 -0.089 18223
6020 1 14 . 1 1 14 14 SER N N 5 117.664 117.664 116.408 1.256 18223
6021 1 14 . 1 1 14 14 SER HA H 5 4.296 4.296 4.610 -0.314 18223
6022 1 14 . 1 1 14 14 SER C C 5 175.200 175.200 174.630 0.570 18223
6023 1 14 . 1 1 14 14 SER CA C 5 59.443 59.443 58.159 1.284 18223
6024 1 14 . 1 1 14 14 SER CB C 5 63.438 63.438 63.982 -0.544 18223
6025 1 14 . 1 1 14 14 SER H H 5 8.255 8.255 8.281 -0.026 18223
6026 1 14 . 1 1 15 15 SER N N 6 117.093 117.093 123.501 -6.408 18223
6027 1 14 . 1 1 15 15 SER HA H 6 4.317 4.317 4.537 -0.220 18223
6028 1 14 . 1 1 15 15 SER C C 6 174.770 174.770 173.694 1.076 18223
6029 1 14 . 1 1 15 15 SER CA C 6 58.737 58.737 58.178 0.559 18223
6030 1 14 . 1 1 15 15 SER CB C 6 63.656 63.656 61.912 1.744 18223
6031 1 14 . 1 1 15 15 SER H H 6 8.050 8.050 9.128 -1.078 18223
6032 1 14 . 1 1 16 16 VAL N N 7 119.995 119.995 120.813 -0.818 18223
6033 1 14 . 1 1 16 16 VAL C C 7 176.150 176.150 174.300 1.850 18223
6034 1 14 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.375 -0.632 18223
6035 1 14 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.982 1.233 18223
6036 1 14 . 1 1 16 16 VAL H H 7 7.775 7.775 8.681 -0.906 18223
6037 1 14 . 1 1 17 17 VAL N N 8 121.090 121.090 119.968 1.122 18223
6038 1 14 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.293 1.617 18223
6039 1 14 . 1 1 17 17 VAL H H 8 7.730 7.730 7.510 0.220 18223
6040 1 14 . 1 1 18 18 PRO C C 9 178.410 178.410 177.499 0.911 18223
6041 1 14 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.136 1.374 18223
6042 1 14 . 1 1 19 19 LEU N N 10 121.410 121.410 122.769 -1.359 18223
6043 1 14 . 1 1 19 19 LEU C C 10 178.910 178.910 178.955 -0.045 18223
6044 1 14 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.987 -3.137 18223
6045 1 14 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.318 0.127 18223
6046 1 14 . 1 1 19 19 LEU H H 10 7.930 7.930 8.608 -0.678 18223
6047 1 14 . 1 1 20 20 HIS N N 11 116.900 116.900 117.096 -0.196 18223
6048 1 14 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.373 0.258 18223
6049 1 14 . 1 1 20 20 HIS C C 11 174.990 174.990 178.034 -3.044 18223
6050 1 14 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.614 -3.614 18223
6051 1 14 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.353 -1.393 18223
6052 1 14 . 1 1 20 20 HIS H H 11 8.384 8.384 8.486 -0.102 18223
6053 1 14 . 1 1 21 21 TRP C C 12 177.660 177.660 179.087 -1.427 18223
6054 1 14 . 1 1 22 22 PHE N N 13 119.238 119.238 119.723 -0.485 18223
6055 1 14 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.128 0.160 18223
6056 1 14 . 1 1 22 22 PHE C C 13 177.410 177.410 178.180 -0.770 18223
6057 1 14 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.914 -2.216 18223
6058 1 14 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.440 -0.096 18223
6059 1 14 . 1 1 22 22 PHE H H 13 7.883 7.883 9.444 -1.561 18223
6060 1 14 . 1 1 23 23 GLY N N 14 107.209 107.209 106.118 1.091 18223
6061 1 14 . 1 1 23 23 GLY C C 14 176.220 176.220 175.933 0.287 18223
6062 1 14 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.313 -0.233 18223
6063 1 14 . 1 1 23 23 GLY H H 14 7.911 7.911 8.475 -0.564 18223
6064 1 14 . 1 1 24 24 PHE N N 15 121.880 121.880 123.249 -1.369 18223
6065 1 14 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.317 0.096 18223
6066 1 14 . 1 1 24 24 PHE C C 15 177.840 177.840 177.887 -0.047 18223
6067 1 14 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.651 -0.561 18223
6068 1 14 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.088 -0.239 18223
6069 1 14 . 1 1 24 24 PHE H H 15 7.900 7.900 8.392 -0.492 18223
6070 1 14 . 1 1 25 25 GLY N N 16 107.640 107.640 107.510 0.130 18223
6071 1 14 . 1 1 25 25 GLY C C 16 174.910 174.910 175.757 -0.847 18223
6072 1 14 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.168 0.162 18223
6073 1 14 . 1 1 25 25 GLY H H 16 8.320 8.320 8.789 -0.469 18223
6074 1 14 . 1 1 26 26 TYR N N 17 121.804 121.804 123.363 -1.559 18223
6075 1 14 . 1 1 26 26 TYR C C 17 177.120 177.120 177.289 -0.169 18223
6076 1 14 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.235 0.435 18223
6077 1 14 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.400 0.001 18223
6078 1 14 . 1 1 26 26 TYR H H 17 8.365 8.365 8.230 0.135 18223
6079 1 14 . 1 1 27 27 ALA N N 18 120.785 120.785 120.164 0.621 18223
6080 1 14 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.879 0.004 18223
6081 1 14 . 1 1 27 27 ALA C C 18 178.790 178.790 179.215 -0.425 18223
6082 1 14 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.013 0.027 18223
6083 1 14 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.863 -0.142 18223
6084 1 14 . 1 1 27 27 ALA H H 18 7.949 7.949 8.262 -0.313 18223
6085 1 14 . 1 1 28 28 ALA N N 19 120.210 120.210 120.654 -0.444 18223
6086 1 14 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.328 0.522 18223
6087 1 14 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.156 -0.435 18223
6088 1 14 . 1 1 28 28 ALA H H 19 7.870 7.870 7.768 0.102 18223
6089 1 14 . 1 1 29 29 LEU N N 20 120.090 120.090 120.842 -0.752 18223
6090 1 14 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.416 -6.416 18223
6091 1 14 . 1 1 29 29 LEU H H 20 8.000 8.000 7.704 0.296 18223
6092 1 14 . 1 1 30 30 VAL N N 21 118.299 118.299 117.744 0.555 18223
6093 1 14 . 1 1 30 30 VAL C C 21 178.920 178.920 177.814 1.106 18223
6094 1 14 . 1 1 30 30 VAL CA C 21 65.620 65.620 65.619 0.001 18223
6095 1 14 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.356 0.921 18223
6096 1 14 . 1 1 30 30 VAL H H 21 7.947 7.947 7.896 0.051 18223
6097 1 14 . 1 1 31 31 ALA N N 22 122.600 122.600 121.638 0.962 18223
6098 1 14 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.943 0.230 18223
6099 1 14 . 1 1 31 31 ALA C C 22 179.540 179.540 179.609 -0.069 18223
6100 1 14 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.162 -0.954 18223
6101 1 14 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.079 0.363 18223
6102 1 14 . 1 1 31 31 ALA H H 22 7.819 7.819 8.068 -0.249 18223
6103 1 14 . 1 1 32 32 SER N N 23 113.502 113.502 114.934 -1.432 18223
6104 1 14 . 1 1 32 32 SER HA H 23 4.015 4.015 3.978 0.037 18223
6105 1 14 . 1 1 32 32 SER C C 23 175.890 175.890 177.052 -1.162 18223
6106 1 14 . 1 1 32 32 SER CA C 23 60.490 60.490 62.253 -1.763 18223
6107 1 14 . 1 1 32 32 SER CB C 23 63.510 63.510 62.931 0.579 18223
6108 1 14 . 1 1 32 32 SER H H 23 7.826 7.826 8.303 -0.477 18223
6109 1 14 . 1 1 33 33 GLY N N 24 109.939 109.939 108.495 1.444 18223
6110 1 14 . 1 1 33 33 GLY C C 24 176.180 176.180 175.363 0.817 18223
6111 1 14 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.830 -0.180 18223
6112 1 14 . 1 1 33 33 GLY H H 24 7.985 7.985 8.542 -0.557 18223
6113 1 14 . 1 1 34 34 GLY N N 25 109.396 109.396 109.976 -0.580 18223
6114 1 14 . 1 1 34 34 GLY C C 25 175.330 175.330 175.522 -0.192 18223
6115 1 14 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.500 -0.330 18223
6116 1 14 . 1 1 34 34 GLY H H 25 8.235 8.235 7.727 0.508 18223
6117 1 14 . 1 1 35 35 ILE N N 26 120.211 120.211 122.829 -2.618 18223
6118 1 14 . 1 1 35 35 ILE C C 26 177.400 177.400 177.825 -0.425 18223
6119 1 14 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.713 -0.882 18223
6120 1 14 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.414 -0.575 18223
6121 1 14 . 1 1 35 35 ILE H H 26 7.998 7.998 8.018 -0.020 18223
6122 1 14 . 1 1 36 36 ILE N N 27 120.051 120.051 118.700 1.351 18223
6123 1 14 . 1 1 36 36 ILE C C 27 177.900 177.900 177.956 -0.056 18223
6124 1 14 . 1 1 36 36 ILE CA C 27 63.850 63.850 63.866 -0.016 18223
6125 1 14 . 1 1 36 36 ILE CB C 27 36.830 36.830 35.717 1.113 18223
6126 1 14 . 1 1 36 36 ILE H H 27 7.998 7.998 8.666 -0.668 18223
6127 1 14 . 1 1 37 37 GLY N N 28 107.531 107.531 107.880 -0.349 18223
6128 1 14 . 1 1 37 37 GLY C C 28 176.120 176.120 176.459 -0.339 18223
6129 1 14 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.556 0.244 18223
6130 1 14 . 1 1 37 37 GLY H H 28 7.983 7.983 7.522 0.461 18223
6131 1 14 . 1 1 38 38 TYR N N 29 120.900 120.900 122.340 -1.440 18223
6132 1 14 . 1 1 38 38 TYR C C 29 176.530 176.530 177.588 -1.058 18223
6133 1 14 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.175 -0.445 18223
6134 1 14 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.774 -0.286 18223
6135 1 14 . 1 1 38 38 TYR H H 29 7.726 7.726 8.074 -0.348 18223
6136 1 14 . 1 1 39 39 VAL N N 30 117.958 117.958 115.190 2.768 18223
6137 1 14 . 1 1 39 39 VAL C C 30 177.600 177.600 176.517 1.083 18223
6138 1 14 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.640 -0.265 18223
6139 1 14 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.503 -1.082 18223
6140 1 14 . 1 1 39 39 VAL H H 30 7.849 7.849 8.424 -0.575 18223
6141 1 14 . 1 1 40 40 LYS N N 31 120.116 120.116 117.402 2.714 18223
6142 1 14 . 1 1 40 40 LYS C C 31 177.090 177.090 174.980 2.110 18223
6143 1 14 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.379 -0.609 18223
6144 1 14 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.376 0.839 18223
6145 1 14 . 1 1 40 40 LYS H H 31 8.072 8.072 7.697 0.375 18223
6146 1 14 . 1 1 41 41 ALA N N 32 122.082 122.082 121.205 0.877 18223
6147 1 14 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.371 -0.130 18223
6148 1 14 . 1 1 41 41 ALA C C 32 178.780 178.780 177.164 1.616 18223
6149 1 14 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.341 0.919 18223
6150 1 14 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.138 -0.408 18223
6151 1 14 . 1 1 41 41 ALA H H 32 7.786 7.786 7.727 0.059 18223
6152 1 14 . 1 1 42 42 GLY N N 33 106.746 106.746 107.816 -1.070 18223
6153 1 14 . 1 1 42 42 GLY C C 33 174.790 174.790 174.564 0.226 18223
6154 1 14 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.241 0.579 18223
6155 1 14 . 1 1 42 42 GLY H H 33 7.964 7.964 8.472 -0.508 18223
6156 1 14 . 1 1 43 43 SER N N 34 115.541 115.541 114.456 1.085 18223
6157 1 14 . 1 1 43 43 SER HA H 34 4.491 4.491 4.927 -0.436 18223
6158 1 14 . 1 1 43 43 SER C C 34 174.920 174.920 174.301 0.619 18223
6159 1 14 . 1 1 43 43 SER CA C 34 58.730 58.730 58.178 0.552 18223
6160 1 14 . 1 1 43 43 SER CB C 34 63.798 63.798 65.076 -1.278 18223
6161 1 14 . 1 1 43 43 SER H H 34 8.049 8.049 8.051 -0.002 18223
6162 1 14 . 1 1 44 44 VAL N N 35 121.887 121.887 118.202 3.685 18223
6163 1 14 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.406 1.924 18223
6164 1 14 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.884 -2.554 18223
6165 1 14 . 1 1 44 44 VAL H H 35 8.332 8.332 8.356 -0.024 18223
6166 1 14 . 1 1 46 46 SER N N 37 113.762 113.762 114.985 -1.223 18223
6167 1 14 . 1 1 46 46 SER CA C 37 61.130 61.130 61.334 -0.204 18223
6168 1 14 . 1 1 46 46 SER CB C 37 62.789 62.789 63.117 -0.328 18223
6169 1 14 . 1 1 46 46 SER H H 37 7.924 7.924 7.923 0.001 18223
6170 1 14 . 1 1 47 47 LEU N N 38 124.450 124.450 121.801 2.649 18223
6171 1 14 . 1 1 47 47 LEU C C 38 176.440 176.440 178.109 -1.669 18223
6172 1 14 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.850 -0.490 18223
6173 1 14 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.903 -0.098 18223
6174 1 14 . 1 1 47 47 LEU H H 38 8.108 8.108 7.994 0.114 18223
6175 1 14 . 1 1 48 48 ALA N N 39 121.290 121.290 120.126 1.164 18223
6176 1 14 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.005 -0.395 18223
6177 1 14 . 1 1 48 48 ALA H H 39 8.250 8.250 7.919 0.331 18223
6178 1 14 . 1 1 49 49 ALA N N 40 120.070 120.070 119.636 0.434 18223
6179 1 14 . 1 1 49 49 ALA C C 40 179.910 179.910 179.787 0.123 18223
6180 1 14 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.701 0.409 18223
6181 1 14 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.389 -0.308 18223
6182 1 14 . 1 1 49 49 ALA H H 40 8.145 8.145 8.037 0.108 18223
6183 1 14 . 1 1 50 50 GLY N N 41 104.977 104.977 107.688 -2.711 18223
6184 1 14 . 1 1 50 50 GLY C C 41 174.870 174.870 175.611 -0.741 18223
6185 1 14 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.576 0.349 18223
6186 1 14 . 1 1 50 50 GLY H H 41 8.103 8.103 7.999 0.104 18223
6187 1 14 . 1 1 51 51 LEU N N 42 122.431 122.431 122.456 -0.025 18223
6188 1 14 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.401 -0.071 18223
6189 1 14 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.148 -0.343 18223
6190 1 14 . 1 1 51 51 LEU H H 42 7.796 7.796 7.866 -0.070 18223
6191 1 14 . 1 1 52 52 LEU N N 43 119.483 119.483 120.395 -0.912 18223
6192 1 14 . 1 1 52 52 LEU C C 43 179.910 179.910 178.685 1.225 18223
6193 1 14 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.277 -0.507 18223
6194 1 14 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.946 -0.573 18223
6195 1 14 . 1 1 52 52 LEU H H 43 7.862 7.862 8.076 -0.214 18223
6196 1 14 . 1 1 53 53 PHE N N 44 117.117 117.117 118.437 -1.320 18223
6197 1 14 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.338 0.033 18223
6198 1 14 . 1 1 53 53 PHE C C 44 178.530 178.530 177.609 0.921 18223
6199 1 14 . 1 1 53 53 PHE CA C 44 60.150 60.150 60.906 -0.755 18223
6200 1 14 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.637 -0.509 18223
6201 1 14 . 1 1 53 53 PHE H H 44 8.343 8.343 8.341 0.002 18223
6202 1 14 . 1 1 54 54 GLY N N 45 107.605 107.605 107.583 0.022 18223
6203 1 14 . 1 1 54 54 GLY C C 45 176.400 176.400 175.580 0.820 18223
6204 1 14 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.297 -0.547 18223
6205 1 14 . 1 1 54 54 GLY H H 45 8.150 8.150 8.077 0.073 18223
6206 1 14 . 1 1 55 55 SER N N 46 117.713 117.713 118.517 -0.804 18223
6207 1 14 . 1 1 55 55 SER C C 46 176.130 176.130 176.727 -0.597 18223
6208 1 14 . 1 1 55 55 SER CA C 46 61.240 61.240 61.320 -0.080 18223
6209 1 14 . 1 1 55 55 SER CB C 46 63.294 63.294 63.153 0.141 18223
6210 1 14 . 1 1 55 55 SER H H 46 7.942 7.942 8.035 -0.093 18223
6211 1 14 . 1 1 56 56 LEU N N 47 121.618 121.618 122.876 -1.258 18223
6212 1 14 . 1 1 56 56 LEU C C 47 178.510 178.510 177.376 1.134 18223
6213 1 14 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.149 -1.389 18223
6214 1 14 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.925 -0.769 18223
6215 1 14 . 1 1 56 56 LEU H H 47 7.910 7.910 7.952 -0.043 18223
6216 1 14 . 1 1 57 57 ALA N N 48 121.557 121.557 120.353 1.204 18223
6217 1 14 . 1 1 57 57 ALA C C 48 180.040 180.040 179.625 0.415 18223
6218 1 14 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.786 -0.236 18223
6219 1 14 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.993 0.088 18223
6220 1 14 . 1 1 57 57 ALA H H 48 7.878 7.878 7.669 0.209 18223
6221 1 14 . 1 1 58 58 GLY N N 49 106.435 106.435 107.676 -1.241 18223
6222 1 14 . 1 1 58 58 GLY C C 49 175.740 175.740 176.508 -0.768 18223
6223 1 14 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.142 -0.862 18223
6224 1 14 . 1 1 58 58 GLY H H 49 8.085 8.085 8.341 -0.256 18223
6225 1 14 . 1 1 59 59 LEU N N 50 121.230 121.230 122.335 -1.105 18223
6226 1 14 . 1 1 59 59 LEU C C 50 178.390 178.390 179.850 -1.460 18223
6227 1 14 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.427 -0.997 18223
6228 1 14 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.689 -0.028 18223
6229 1 14 . 1 1 59 59 LEU H H 50 7.770 7.770 8.383 -0.613 18223
6230 1 14 . 1 1 60 60 GLY N N 51 106.525 106.525 106.389 0.136 18223
6231 1 14 . 1 1 60 60 GLY C C 51 174.820 174.820 175.845 -1.025 18223
6232 1 14 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.969 -0.679 18223
6233 1 14 . 1 1 60 60 GLY H H 51 8.090 8.090 7.754 0.336 18223
6234 1 14 . 1 1 61 61 ALA N N 52 122.773 122.773 124.847 -2.074 18223
6235 1 14 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.827 0.275 18223
6236 1 14 . 1 1 61 61 ALA C C 52 178.320 178.320 176.926 1.394 18223
6237 1 14 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.273 -0.853 18223
6238 1 14 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.864 -0.422 18223
6239 1 14 . 1 1 61 61 ALA H H 52 7.819 7.819 8.216 -0.397 18223
6240 1 14 . 1 1 62 62 TYR N N 53 118.481 118.481 117.298 1.183 18223
6241 1 14 . 1 1 62 62 TYR C C 53 176.390 176.390 174.356 2.034 18223
6242 1 14 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.737 2.263 18223
6243 1 14 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.170 1.174 18223
6244 1 14 . 1 1 62 62 TYR H H 53 7.794 7.794 7.331 0.463 18223
6245 1 14 . 1 1 63 63 GLN N N 54 120.770 120.770 117.914 2.856 18223
6246 1 14 . 1 1 63 63 GLN CA C 54 56.560 56.560 57.021 -0.461 18223
6247 1 14 . 1 1 63 63 GLN CB C 54 28.648 28.648 30.394 -1.746 18223
6248 1 14 . 1 1 63 63 GLN H H 54 8.033 8.033 8.070 -0.037 18223
6249 1 14 . 1 1 64 64 LEU N N 55 121.847 121.847 117.019 4.828 18223
6250 1 14 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.657 -0.487 18223
6251 1 14 . 1 1 64 64 LEU C C 55 177.790 177.790 174.864 2.926 18223
6252 1 14 . 1 1 64 64 LEU CA C 55 56.010 56.010 54.885 1.125 18223
6253 1 14 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.901 -2.096 18223
6254 1 14 . 1 1 64 64 LEU H H 55 8.018 8.018 8.156 -0.138 18223
6255 1 14 . 1 1 65 65 SER N N 56 113.937 113.937 114.027 -0.090 18223
6256 1 14 . 1 1 65 65 SER C C 56 174.710 174.710 173.124 1.586 18223
6257 1 14 . 1 1 65 65 SER CA C 56 59.050 59.050 60.009 -0.959 18223
6258 1 14 . 1 1 65 65 SER CB C 56 63.554 63.554 62.644 0.910 18223
6259 1 14 . 1 1 65 65 SER H H 56 7.892 7.892 8.245 -0.353 18223
6260 1 14 . 1 1 66 66 GLN N N 57 120.154 120.154 117.310 2.844 18223
6261 1 14 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.302 -0.059 18223
6262 1 14 . 1 1 66 66 GLN C C 57 175.760 175.760 173.501 2.259 18223
6263 1 14 . 1 1 66 66 GLN CA C 57 55.650 55.650 55.602 0.048 18223
6264 1 14 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.641 -0.093 18223
6265 1 14 . 1 1 66 66 GLN H H 57 7.625 7.625 7.786 -0.161 18223
6266 1 14 . 1 1 67 67 ASP N N 58 120.090 120.090 121.186 -1.096 18223
6267 1 14 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.672 -2.672 18223
6268 1 14 . 1 1 67 67 ASP H H 58 8.000 8.000 8.334 -0.334 18223
6269 1 14 . 1 1 68 68 PRO C C 59 177.890 177.890 178.630 -0.740 18223
6270 1 14 . 1 1 69 69 ARG N N 60 117.806 117.806 119.082 -1.276 18223
6271 1 14 . 1 1 69 69 ARG C C 60 178.330 178.330 178.225 0.105 18223
6272 1 14 . 1 1 69 69 ARG CA C 60 58.895 58.895 59.992 -1.097 18223
6273 1 14 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.889 -0.687 18223
6274 1 14 . 1 1 69 69 ARG H H 60 8.402 8.402 8.434 -0.032 18223
6275 1 14 . 1 1 70 70 ASN N N 61 116.920 116.920 117.216 -0.296 18223
6276 1 14 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.055 -0.755 18223
6277 1 14 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.878 0.189 18223
6278 1 14 . 1 1 70 70 ASN H H 61 7.930 7.930 8.302 -0.372 18223
6279 1 14 . 1 1 71 71 VAL N N 62 120.795 120.795 117.447 3.348 18223
6280 1 14 . 1 1 71 71 VAL CA C 62 65.927 65.927 65.961 -0.034 18223
6281 1 14 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.360 -0.366 18223
6282 1 14 . 1 1 71 71 VAL H H 62 7.783 7.783 7.499 0.284 18223
6283 1 14 . 1 1 72 72 TRP N N 63 120.550 120.550 121.746 -1.196 18223
6284 1 14 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.243 0.174 18223
6285 1 14 . 1 1 72 72 TRP C C 63 177.850 177.850 178.367 -0.517 18223
6286 1 14 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.339 -2.209 18223
6287 1 14 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.523 -0.210 18223
6288 1 14 . 1 1 72 72 TRP H H 63 7.760 7.760 7.793 -0.033 18223
6289 1 14 . 1 1 73 73 VAL N N 64 117.896 117.896 117.775 0.121 18223
6290 1 14 . 1 1 73 73 VAL C C 64 179.270 179.270 178.367 0.903 18223
6291 1 14 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.386 -0.856 18223
6292 1 14 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.439 -0.131 18223
6293 1 14 . 1 1 73 73 VAL H H 64 7.905 7.905 8.411 -0.506 18223
6294 1 14 . 1 1 74 74 PHE N N 65 122.086 122.086 118.705 3.381 18223
6295 1 14 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.302 -0.077 18223
6296 1 14 . 1 1 74 74 PHE C C 65 177.760 177.760 177.708 0.052 18223
6297 1 14 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.110 -0.820 18223
6298 1 14 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.733 -0.172 18223
6299 1 14 . 1 1 74 74 PHE H H 65 7.857 7.857 7.513 0.344 18223
6300 1 14 . 1 1 75 75 LEU N N 66 121.304 121.304 122.096 -0.792 18223
6301 1 14 . 1 1 75 75 LEU C C 66 179.060 179.060 177.585 1.475 18223
6302 1 14 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.036 -0.236 18223
6303 1 14 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.598 -0.298 18223
6304 1 14 . 1 1 75 75 LEU H H 66 8.326 8.326 8.388 -0.062 18223
6305 1 14 . 1 1 76 76 ALA N N 67 120.420 120.420 119.073 1.347 18223
6306 1 14 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.863 0.533 18223
6307 1 14 . 1 1 76 76 ALA C C 67 180.180 180.180 179.617 0.563 18223
6308 1 14 . 1 1 76 76 ALA CA C 67 54.590 54.590 54.807 -0.217 18223
6309 1 14 . 1 1 76 76 ALA H H 67 8.283 8.283 7.870 0.413 18223
6310 1 14 . 1 1 77 77 THR N N 68 111.152 111.152 116.528 -5.376 18223
6311 1 14 . 1 1 77 77 THR C C 68 175.830 175.830 176.768 -0.938 18223
6312 1 14 . 1 1 77 77 THR CA C 68 64.159 64.159 67.019 -2.860 18223
6313 1 14 . 1 1 77 77 THR CB C 68 69.711 69.711 68.545 1.166 18223
6314 1 14 . 1 1 77 77 THR H H 68 7.951 7.951 8.028 -0.077 18223
6315 1 14 . 1 1 78 78 SER N N 69 117.883 117.883 115.848 2.035 18223
6316 1 14 . 1 1 78 78 SER C C 69 176.000 176.000 177.282 -1.282 18223
6317 1 14 . 1 1 78 78 SER CA C 69 60.730 60.730 60.728 0.002 18223
6318 1 14 . 1 1 78 78 SER H H 69 7.839 7.839 8.028 -0.189 18223
6319 1 14 . 1 1 79 79 GLY N N 70 111.078 111.078 110.627 0.451 18223
6320 1 14 . 1 1 79 79 GLY C C 70 175.830 175.830 175.659 0.171 18223
6321 1 14 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.502 -0.792 18223
6322 1 14 . 1 1 79 79 GLY H H 70 8.269 8.269 8.103 0.166 18223
6323 1 14 . 1 1 80 80 THR N N 71 117.727 117.727 118.784 -1.057 18223
6324 1 14 . 1 1 80 80 THR C C 71 176.110 176.110 176.516 -0.406 18223
6325 1 14 . 1 1 80 80 THR CA C 71 66.178 66.178 65.650 0.528 18223
6326 1 14 . 1 1 80 80 THR CB C 71 68.630 68.630 68.972 -0.342 18223
6327 1 14 . 1 1 80 80 THR H H 71 7.823 7.823 7.761 0.062 18223
6328 1 14 . 1 1 81 81 LEU N N 72 121.422 121.422 122.129 -0.707 18223
6329 1 14 . 1 1 81 81 LEU C C 72 178.620 178.620 177.667 0.953 18223
6330 1 14 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.388 -0.698 18223
6331 1 14 . 1 1 81 81 LEU H H 72 7.846 7.846 8.063 -0.217 18223
6332 1 14 . 1 1 82 82 ALA N N 73 121.160 121.160 118.430 2.730 18223
6333 1 14 . 1 1 82 82 ALA C C 73 180.440 180.440 179.727 0.713 18223
6334 1 14 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.852 1.328 18223
6335 1 14 . 1 1 82 82 ALA CB C 73 17.865 17.865 19.088 -1.223 18223
6336 1 14 . 1 1 82 82 ALA H H 73 8.050 8.050 7.691 0.359 18223
6337 1 14 . 1 1 83 83 GLY N N 74 106.017 106.017 109.075 -3.058 18223
6338 1 14 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.825 0.185 18223
6339 1 14 . 1 1 83 83 GLY H H 74 8.132 8.132 7.877 0.255 18223
6340 1 14 . 1 1 84 84 ILE N N 75 122.030 122.030 120.581 1.449 18223
6341 1 14 . 1 1 84 84 ILE C C 75 178.530 178.530 176.025 2.505 18223
6342 1 14 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.640 1.090 18223
6343 1 14 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.698 -0.931 18223
6344 1 14 . 1 1 84 84 ILE H H 75 7.930 7.930 8.113 -0.183 18223
6345 1 14 . 1 1 85 85 MET N N 76 117.920 117.920 117.112 0.808 18223
6346 1 14 . 1 1 85 85 MET CA C 76 57.810 57.810 54.531 3.279 18223
6347 1 14 . 1 1 85 85 MET H H 76 8.140 8.140 7.898 0.242 18223
6348 1 14 . 1 1 86 86 GLY N N 77 109.118 109.118 111.892 -2.774 18223
6349 1 14 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.738 1.033 18223
6350 1 14 . 1 1 86 86 GLY H H 77 7.920 7.920 8.463 -0.543 18223
6351 1 14 . 1 1 87 87 MET N N 78 119.220 119.220 119.534 -0.314 18223
6352 1 14 . 1 1 87 87 MET CA C 78 55.810 55.810 55.594 0.216 18223
6353 1 14 . 1 1 87 87 MET H H 78 7.950 7.950 8.247 -0.297 18223
6354 1 14 . 1 1 88 88 ARG N N 79 120.090 120.090 120.203 -0.113 18223
6355 1 14 . 1 1 88 88 ARG CA C 79 52.000 52.000 57.319 -5.319 18223
6356 1 14 . 1 1 88 88 ARG H H 79 8.000 8.000 8.514 -0.514 18223
6357 1 14 . 1 1 90 90 TYR C C 81 176.310 176.310 174.877 1.433 18223
6358 1 14 . 1 1 91 91 HIS N N 82 118.270 118.270 122.145 -3.875 18223
6359 1 14 . 1 1 91 91 HIS C C 82 174.940 174.940 174.636 0.304 18223
6360 1 14 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.506 -0.656 18223
6361 1 14 . 1 1 91 91 HIS H H 82 8.130 8.130 8.120 0.010 18223
6362 1 14 . 1 1 92 92 SER N N 83 115.818 115.818 112.287 3.531 18223
6363 1 14 . 1 1 92 92 SER C C 83 175.470 175.470 173.917 1.553 18223
6364 1 14 . 1 1 92 92 SER CA C 83 59.430 59.430 58.508 0.922 18223
6365 1 14 . 1 1 92 92 SER CB C 83 63.870 63.870 62.558 1.312 18223
6366 1 14 . 1 1 92 92 SER H H 83 8.007 8.007 8.960 -0.953 18223
6367 1 14 . 1 1 93 93 GLY N N 84 110.518 110.518 110.795 -0.277 18223
6368 1 14 . 1 1 93 93 GLY C C 84 174.740 174.740 174.820 -0.080 18223
6369 1 14 . 1 1 93 93 GLY CA C 84 45.930 45.930 46.090 -0.160 18223
6370 1 14 . 1 1 93 93 GLY H H 84 8.099 8.099 8.484 -0.385 18223
6371 1 14 . 1 1 94 94 LYS N N 85 120.088 120.088 119.876 0.212 18223
6372 1 14 . 1 1 94 94 LYS CA C 85 56.443 56.443 55.443 1.000 18223
6373 1 14 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.425 -1.066 18223
6374 1 14 . 1 1 94 94 LYS H H 85 7.810 7.810 7.708 0.102 18223
6375 1 14 . 1 1 95 95 PHE N N 86 118.766 118.766 119.153 -0.387 18223
6376 1 14 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.155 0.655 18223
6377 1 14 . 1 1 95 95 PHE CB C 86 39.281 39.281 41.688 -2.407 18223
6378 1 14 . 1 1 95 95 PHE H H 86 7.911 7.911 7.750 0.161 18223
6379 1 14 . 1 1 96 96 MET N N 87 120.600 120.600 120.501 0.099 18223
6380 1 14 . 1 1 96 96 MET CA C 87 53.150 53.150 54.172 -1.022 18223
6381 1 14 . 1 1 96 96 MET H H 87 7.670 7.670 8.935 -1.265 18223
6382 1 14 . 1 1 97 97 PRO C C 88 176.820 176.820 176.489 0.331 18223
6383 1 14 . 1 1 98 98 ALA N N 89 124.300 124.300 119.018 5.282 18223
6384 1 14 . 1 1 98 98 ALA C C 89 179.480 179.480 176.536 2.944 18223
6385 1 14 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.035 1.355 18223
6386 1 14 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.208 -0.406 18223
6387 1 14 . 1 1 98 98 ALA H H 89 8.302 8.302 7.492 0.810 18223
6388 1 14 . 1 1 99 99 GLY N N 90 107.011 107.011 107.182 -0.171 18223
6389 1 14 . 1 1 99 99 GLY C C 90 174.920 174.920 174.837 0.083 18223
6390 1 14 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.361 0.519 18223
6391 1 14 . 1 1 99 99 GLY H H 90 8.341 8.341 8.272 0.069 18223
6392 1 14 . 1 1 100 100 LEU N N 91 120.873 120.873 120.095 0.778 18223
6393 1 14 . 1 1 100 100 LEU C C 91 177.250 177.250 178.165 -0.915 18223
6394 1 14 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.484 -1.384 18223
6395 1 14 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.104 -0.010 18223
6396 1 14 . 1 1 100 100 LEU H H 91 7.732 7.732 7.856 -0.124 18223
6397 1 14 . 1 1 101 101 ILE N N 92 118.245 118.245 118.223 0.022 18223
6398 1 14 . 1 1 101 101 ILE C C 92 177.130 177.130 177.827 -0.697 18223
6399 1 14 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.481 -3.567 18223
6400 1 14 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.579 1.549 18223
6401 1 14 . 1 1 101 101 ILE H H 92 7.668 7.668 8.037 -0.369 18223
6402 1 14 . 1 1 102 102 ALA N N 93 127.523 127.523 121.909 5.614 18223
6403 1 14 . 1 1 102 102 ALA C C 93 179.370 179.370 180.038 -0.668 18223
6404 1 14 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.320 -2.482 18223
6405 1 14 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.249 0.770 18223
6406 1 14 . 1 1 102 102 ALA H H 93 8.110 8.110 8.470 -0.360 18223
6407 1 14 . 1 1 103 103 GLY N N 94 109.013 109.013 106.427 2.586 18223
6408 1 14 . 1 1 103 103 GLY C C 94 175.290 175.290 175.828 -0.538 18223
6409 1 14 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.668 -1.248 18223
6410 1 14 . 1 1 103 103 GLY H H 94 8.180 8.180 7.643 0.537 18223
6411 1 14 . 1 1 104 104 ALA N N 95 123.130 123.130 124.998 -1.868 18223
6412 1 14 . 1 1 104 104 ALA C C 95 180.040 180.040 179.447 0.593 18223
6413 1 14 . 1 1 104 104 ALA H H 95 8.230 8.230 7.823 0.407 18223
6414 1 14 . 1 1 105 105 SER N N 96 114.606 114.606 114.227 0.379 18223
6415 1 14 . 1 1 105 105 SER C C 96 176.140 176.140 176.853 -0.713 18223
6416 1 14 . 1 1 105 105 SER H H 96 7.915 7.915 8.517 -0.602 18223
6417 1 14 . 1 1 106 106 LEU N N 97 122.651 122.651 123.282 -0.631 18223
6418 1 14 . 1 1 106 106 LEU C C 97 179.140 179.140 178.471 0.669 18223
6419 1 14 . 1 1 106 106 LEU H H 97 8.066 8.066 7.948 0.118 18223
6420 1 14 . 1 1 108 108 MET N N 99 118.381 118.381 118.593 -0.212 18223
6421 1 14 . 1 1 108 108 MET C C 99 178.830 178.830 178.615 0.215 18223
6422 1 14 . 1 1 108 108 MET CA C 99 58.730 58.730 59.169 -0.438 18223
6423 1 14 . 1 1 108 108 MET H H 99 7.682 7.682 8.118 -0.436 18223
6424 1 14 . 1 1 109 109 VAL N N 100 118.713 118.713 119.058 -0.345 18223
6425 1 14 . 1 1 109 109 VAL C C 100 177.930 177.930 177.912 0.018 18223
6426 1 14 . 1 1 109 109 VAL CA C 100 66.230 66.230 65.966 0.264 18223
6427 1 14 . 1 1 109 109 VAL H H 100 7.821 7.821 8.118 -0.297 18223
6428 1 14 . 1 1 110 110 ALA N N 101 122.160 122.160 122.095 0.065 18223
6429 1 14 . 1 1 110 110 ALA C C 101 180.470 180.470 179.521 0.949 18223
6430 1 14 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.422 -0.082 18223
6431 1 14 . 1 1 110 110 ALA H H 101 8.110 8.110 7.950 0.160 18223
6432 1 14 . 1 1 111 111 LYS N N 102 120.260 120.260 118.460 1.800 18223
6433 1 14 . 1 1 111 111 LYS C C 102 177.490 177.490 178.798 -1.308 18223
6434 1 14 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.340 -1.850 18223
6435 1 14 . 1 1 111 111 LYS H H 102 7.870 7.870 7.783 0.087 18223
6436 1 14 . 1 1 112 112 VAL N N 103 120.410 120.410 116.198 4.212 18223
6437 1 14 . 1 1 112 112 VAL C C 103 176.240 176.240 177.723 -1.483 18223
6438 1 14 . 1 1 112 112 VAL CA C 103 65.720 65.720 64.766 0.954 18223
6439 1 14 . 1 1 112 112 VAL H H 103 7.990 7.990 7.894 0.096 18223
6440 1 14 . 1 1 113 113 GLY N N 104 108.926 108.926 107.853 1.073 18223
6441 1 14 . 1 1 113 113 GLY C C 104 175.150 175.150 174.214 0.936 18223
6442 1 14 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.389 2.261 18223
6443 1 14 . 1 1 113 113 GLY H H 104 8.477 8.477 7.695 0.782 18223
6444 1 14 . 1 1 114 114 VAL N N 105 119.350 119.350 120.894 -1.544 18223
6445 1 14 . 1 1 114 114 VAL C C 105 178.390 178.390 174.717 3.673 18223
6446 1 14 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.221 3.919 18223
6447 1 14 . 1 1 114 114 VAL H H 105 8.310 8.310 8.346 -0.036 18223
6448 1 14 . 1 1 115 115 SER N N 106 115.964 115.964 121.484 -5.520 18223
6449 1 14 . 1 1 115 115 SER C C 106 177.250 177.250 173.209 4.041 18223
6450 1 14 . 1 1 115 115 SER CA C 106 61.130 61.130 58.048 3.082 18223
6451 1 14 . 1 1 115 115 SER H H 106 7.815 7.815 8.483 -0.668 18223
6452 1 14 . 1 1 116 116 MET N N 107 120.190 120.190 123.073 -2.883 18223
6453 1 14 . 1 1 116 116 MET C C 107 177.190 177.190 174.832 2.358 18223
6454 1 14 . 1 1 116 116 MET CA C 107 57.450 57.450 55.230 2.220 18223
6455 1 14 . 1 1 116 116 MET H H 107 7.820 7.820 8.742 -0.922 18223
6456 1 14 . 1 1 117 117 PHE N N 108 117.325 117.325 123.087 -5.762 18223
6457 1 14 . 1 1 117 117 PHE C C 108 175.740 175.740 174.651 1.089 18223
6458 1 14 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.520 0.350 18223
6459 1 14 . 1 1 117 117 PHE H H 108 7.735 7.735 8.934 -1.199 18223
6460 1 14 . 1 1 118 118 ASN N N 109 118.878 118.878 118.454 0.424 18223
6461 1 14 . 1 1 118 118 ASN C C 109 174.830 174.830 174.978 -0.148 18223
6462 1 14 . 1 1 118 118 ASN CA C 109 53.060 53.060 54.182 -1.122 18223
6463 1 14 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.920 0.145 18223
6464 1 14 . 1 1 118 118 ASN H H 109 7.907 7.907 8.432 -0.525 18223
6465 1 14 . 1 1 119 119 ARG N N 110 122.870 122.870 121.058 1.812 18223
6466 1 14 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.790 -0.640 18223
6467 1 14 . 1 1 119 119 ARG H H 110 7.894 7.894 8.487 -0.593 18223
6468 1 14 . 1 1 120 120 PRO C C 111 176.590 176.590 177.023 -0.433 18223
6469 1 15 . 1 1 11 11 GLN C C 2 176.170 176.170 175.590 0.580 18223
6470 1 15 . 1 1 12 12 ASP N N 3 120.369 120.369 119.251 1.118 18223
6471 1 15 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.742 -0.592 18223
6472 1 15 . 1 1 12 12 ASP C C 3 176.980 176.980 176.107 0.873 18223
6473 1 15 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.054 1.783 18223
6474 1 15 . 1 1 12 12 ASP CB C 3 40.796 40.796 40.968 -0.172 18223
6475 1 15 . 1 1 12 12 ASP H H 3 8.275 8.275 7.931 0.344 18223
6476 1 15 . 1 1 13 13 THR N N 4 114.220 114.220 111.136 3.084 18223
6477 1 15 . 1 1 13 13 THR HA H 4 4.636 4.636 4.140 0.496 18223
6478 1 15 . 1 1 13 13 THR C C 4 175.530 175.530 174.785 0.745 18223
6479 1 15 . 1 1 13 13 THR CA C 4 62.790 62.790 62.291 0.499 18223
6480 1 15 . 1 1 13 13 THR CB C 4 69.134 69.134 69.233 -0.099 18223
6481 1 15 . 1 1 13 13 THR H H 4 7.990 7.990 8.093 -0.103 18223
6482 1 15 . 1 1 14 14 SER N N 5 117.664 117.664 115.867 1.797 18223
6483 1 15 . 1 1 14 14 SER HA H 5 4.296 4.296 4.169 0.127 18223
6484 1 15 . 1 1 14 14 SER C C 5 175.200 175.200 176.209 -1.009 18223
6485 1 15 . 1 1 14 14 SER CA C 5 59.443 59.443 59.496 -0.053 18223
6486 1 15 . 1 1 14 14 SER CB C 5 63.438 63.438 63.347 0.091 18223
6487 1 15 . 1 1 14 14 SER H H 5 8.255 8.255 8.189 0.066 18223
6488 1 15 . 1 1 15 15 SER N N 6 117.093 117.093 119.227 -2.134 18223
6489 1 15 . 1 1 15 15 SER HA H 6 4.317 4.317 4.176 0.141 18223
6490 1 15 . 1 1 15 15 SER C C 6 174.770 174.770 175.449 -0.679 18223
6491 1 15 . 1 1 15 15 SER CA C 6 58.737 58.737 61.187 -2.450 18223
6492 1 15 . 1 1 15 15 SER CB C 6 63.656 63.656 63.583 0.073 18223
6493 1 15 . 1 1 15 15 SER H H 6 8.050 8.050 8.686 -0.636 18223
6494 1 15 . 1 1 16 16 VAL N N 7 119.995 119.995 113.000 6.995 18223
6495 1 15 . 1 1 16 16 VAL C C 7 176.150 176.150 174.638 1.512 18223
6496 1 15 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.488 0.255 18223
6497 1 15 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.615 -0.400 18223
6498 1 15 . 1 1 16 16 VAL H H 7 7.775 7.775 7.416 0.359 18223
6499 1 15 . 1 1 17 17 VAL N N 8 121.090 121.090 118.957 2.133 18223
6500 1 15 . 1 1 17 17 VAL CA C 8 60.910 60.910 61.475 -0.565 18223
6501 1 15 . 1 1 17 17 VAL H H 8 7.730 7.730 7.701 0.029 18223
6502 1 15 . 1 1 18 18 PRO C C 9 178.410 178.410 177.610 0.800 18223
6503 1 15 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.694 1.817 18223
6504 1 15 . 1 1 19 19 LEU N N 10 121.410 121.410 121.575 -0.165 18223
6505 1 15 . 1 1 19 19 LEU C C 10 178.910 178.910 178.971 -0.061 18223
6506 1 15 . 1 1 19 19 LEU CA C 10 56.850 56.850 60.019 -3.169 18223
6507 1 15 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.404 0.041 18223
6508 1 15 . 1 1 19 19 LEU H H 10 7.930 7.930 8.550 -0.620 18223
6509 1 15 . 1 1 20 20 HIS N N 11 116.900 116.900 117.475 -0.575 18223
6510 1 15 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.366 0.265 18223
6511 1 15 . 1 1 20 20 HIS C C 11 174.990 174.990 177.828 -2.838 18223
6512 1 15 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.265 -3.265 18223
6513 1 15 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.301 -1.341 18223
6514 1 15 . 1 1 20 20 HIS H H 11 8.384 8.384 8.347 0.037 18223
6515 1 15 . 1 1 21 21 TRP C C 12 177.660 177.660 179.099 -1.439 18223
6516 1 15 . 1 1 22 22 PHE N N 13 119.238 119.238 118.359 0.879 18223
6517 1 15 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.186 0.102 18223
6518 1 15 . 1 1 22 22 PHE C C 13 177.410 177.410 178.144 -0.734 18223
6519 1 15 . 1 1 22 22 PHE CA C 13 60.698 60.698 61.850 -1.153 18223
6520 1 15 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.631 -0.287 18223
6521 1 15 . 1 1 22 22 PHE H H 13 7.883 7.883 8.837 -0.954 18223
6522 1 15 . 1 1 23 23 GLY N N 14 107.209 107.209 106.222 0.987 18223
6523 1 15 . 1 1 23 23 GLY C C 14 176.220 176.220 175.968 0.252 18223
6524 1 15 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.025 0.055 18223
6525 1 15 . 1 1 23 23 GLY H H 14 7.911 7.911 8.238 -0.327 18223
6526 1 15 . 1 1 24 24 PHE N N 15 121.880 121.880 123.230 -1.350 18223
6527 1 15 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.285 0.128 18223
6528 1 15 . 1 1 24 24 PHE C C 15 177.840 177.840 177.681 0.159 18223
6529 1 15 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.699 -0.609 18223
6530 1 15 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.184 -0.335 18223
6531 1 15 . 1 1 24 24 PHE H H 15 7.900 7.900 8.371 -0.471 18223
6532 1 15 . 1 1 25 25 GLY N N 16 107.640 107.640 107.510 0.130 18223
6533 1 15 . 1 1 25 25 GLY C C 16 174.910 174.910 175.817 -0.907 18223
6534 1 15 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.161 0.169 18223
6535 1 15 . 1 1 25 25 GLY H H 16 8.320 8.320 8.831 -0.511 18223
6536 1 15 . 1 1 26 26 TYR N N 17 121.804 121.804 123.304 -1.500 18223
6537 1 15 . 1 1 26 26 TYR C C 17 177.120 177.120 177.288 -0.168 18223
6538 1 15 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.190 0.480 18223
6539 1 15 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.402 -0.001 18223
6540 1 15 . 1 1 26 26 TYR H H 17 8.365 8.365 8.217 0.148 18223
6541 1 15 . 1 1 27 27 ALA N N 18 120.785 120.785 120.777 0.008 18223
6542 1 15 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.858 0.025 18223
6543 1 15 . 1 1 27 27 ALA C C 18 178.790 178.790 179.040 -0.250 18223
6544 1 15 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.075 -0.035 18223
6545 1 15 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.859 -0.138 18223
6546 1 15 . 1 1 27 27 ALA H H 18 7.949 7.949 8.203 -0.254 18223
6547 1 15 . 1 1 28 28 ALA N N 19 120.210 120.210 120.422 -0.212 18223
6548 1 15 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.489 0.361 18223
6549 1 15 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.251 -0.530 18223
6550 1 15 . 1 1 28 28 ALA H H 19 7.870 7.870 7.781 0.089 18223
6551 1 15 . 1 1 29 29 LEU N N 20 120.090 120.090 120.289 -0.199 18223
6552 1 15 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.905 -5.905 18223
6553 1 15 . 1 1 29 29 LEU H H 20 8.000 8.000 7.620 0.380 18223
6554 1 15 . 1 1 30 30 VAL N N 21 118.299 118.299 119.449 -1.150 18223
6555 1 15 . 1 1 30 30 VAL C C 21 178.920 178.920 178.161 0.759 18223
6556 1 15 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.813 -1.193 18223
6557 1 15 . 1 1 30 30 VAL CB C 21 31.277 31.277 30.918 0.359 18223
6558 1 15 . 1 1 30 30 VAL H H 21 7.947 7.947 7.946 0.001 18223
6559 1 15 . 1 1 31 31 ALA N N 22 122.600 122.600 120.606 1.994 18223
6560 1 15 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.919 0.254 18223
6561 1 15 . 1 1 31 31 ALA C C 22 179.540 179.540 179.773 -0.233 18223
6562 1 15 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.207 -0.999 18223
6563 1 15 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.992 0.450 18223
6564 1 15 . 1 1 31 31 ALA H H 22 7.819 7.819 8.172 -0.353 18223
6565 1 15 . 1 1 32 32 SER N N 23 113.502 113.502 115.921 -2.419 18223
6566 1 15 . 1 1 32 32 SER HA H 23 4.015 4.015 4.036 -0.021 18223
6567 1 15 . 1 1 32 32 SER C C 23 175.890 175.890 176.861 -0.971 18223
6568 1 15 . 1 1 32 32 SER CA C 23 60.490 60.490 62.082 -1.592 18223
6569 1 15 . 1 1 32 32 SER CB C 23 63.510 63.510 62.699 0.811 18223
6570 1 15 . 1 1 32 32 SER H H 23 7.826 7.826 8.061 -0.235 18223
6571 1 15 . 1 1 33 33 GLY N N 24 109.939 109.939 107.758 2.181 18223
6572 1 15 . 1 1 33 33 GLY C C 24 176.180 176.180 175.359 0.821 18223
6573 1 15 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.369 0.281 18223
6574 1 15 . 1 1 33 33 GLY H H 24 7.985 7.985 8.262 -0.277 18223
6575 1 15 . 1 1 34 34 GLY N N 25 109.396 109.396 110.218 -0.822 18223
6576 1 15 . 1 1 34 34 GLY C C 25 175.330 175.330 175.941 -0.611 18223
6577 1 15 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.646 -0.476 18223
6578 1 15 . 1 1 34 34 GLY H H 25 8.235 8.235 7.986 0.249 18223
6579 1 15 . 1 1 35 35 ILE N N 26 120.211 120.211 123.357 -3.146 18223
6580 1 15 . 1 1 35 35 ILE C C 26 177.400 177.400 178.130 -0.730 18223
6581 1 15 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.328 -1.498 18223
6582 1 15 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.194 -0.355 18223
6583 1 15 . 1 1 35 35 ILE H H 26 7.998 7.998 8.021 -0.023 18223
6584 1 15 . 1 1 36 36 ILE N N 27 120.051 120.051 118.706 1.345 18223
6585 1 15 . 1 1 36 36 ILE C C 27 177.900 177.900 177.998 -0.098 18223
6586 1 15 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.837 -0.987 18223
6587 1 15 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.985 -0.155 18223
6588 1 15 . 1 1 36 36 ILE H H 27 7.998 7.998 8.295 -0.297 18223
6589 1 15 . 1 1 37 37 GLY N N 28 107.531 107.531 108.388 -0.857 18223
6590 1 15 . 1 1 37 37 GLY C C 28 176.120 176.120 176.178 -0.058 18223
6591 1 15 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.600 0.200 18223
6592 1 15 . 1 1 37 37 GLY H H 28 7.983 7.983 7.526 0.457 18223
6593 1 15 . 1 1 38 38 TYR N N 29 120.900 120.900 121.822 -0.922 18223
6594 1 15 . 1 1 38 38 TYR C C 29 176.530 176.530 178.021 -1.491 18223
6595 1 15 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.394 -0.664 18223
6596 1 15 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.660 -0.173 18223
6597 1 15 . 1 1 38 38 TYR H H 29 7.726 7.726 8.260 -0.534 18223
6598 1 15 . 1 1 39 39 VAL N N 30 117.958 117.958 114.063 3.895 18223
6599 1 15 . 1 1 39 39 VAL C C 30 177.600 177.600 176.811 0.789 18223
6600 1 15 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.181 1.194 18223
6601 1 15 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.637 -1.216 18223
6602 1 15 . 1 1 39 39 VAL H H 30 7.849 7.849 8.257 -0.408 18223
6603 1 15 . 1 1 40 40 LYS N N 31 120.116 120.116 117.987 2.129 18223
6604 1 15 . 1 1 40 40 LYS C C 31 177.090 177.090 175.070 2.020 18223
6605 1 15 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.237 -0.467 18223
6606 1 15 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.536 0.679 18223
6607 1 15 . 1 1 40 40 LYS H H 31 8.072 8.072 7.614 0.458 18223
6608 1 15 . 1 1 41 41 ALA N N 32 122.082 122.082 120.253 1.829 18223
6609 1 15 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.427 -0.186 18223
6610 1 15 . 1 1 41 41 ALA C C 32 178.780 178.780 176.935 1.845 18223
6611 1 15 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.925 1.335 18223
6612 1 15 . 1 1 41 41 ALA CB C 32 18.730 18.730 18.850 -0.120 18223
6613 1 15 . 1 1 41 41 ALA H H 32 7.786 7.786 7.665 0.121 18223
6614 1 15 . 1 1 42 42 GLY N N 33 106.746 106.746 107.636 -0.890 18223
6615 1 15 . 1 1 42 42 GLY C C 33 174.790 174.790 175.235 -0.445 18223
6616 1 15 . 1 1 42 42 GLY CA C 33 45.820 45.820 46.000 -0.180 18223
6617 1 15 . 1 1 42 42 GLY H H 33 7.964 7.964 8.624 -0.660 18223
6618 1 15 . 1 1 43 43 SER N N 34 115.541 115.541 113.032 2.509 18223
6619 1 15 . 1 1 43 43 SER HA H 34 4.491 4.491 4.319 0.172 18223
6620 1 15 . 1 1 43 43 SER C C 34 174.920 174.920 174.002 0.918 18223
6621 1 15 . 1 1 43 43 SER CA C 34 58.730 58.730 58.995 -0.265 18223
6622 1 15 . 1 1 43 43 SER CB C 34 63.798 63.798 63.260 0.538 18223
6623 1 15 . 1 1 43 43 SER H H 34 8.049 8.049 8.207 -0.158 18223
6624 1 15 . 1 1 44 44 VAL N N 35 121.887 121.887 120.461 1.426 18223
6625 1 15 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.396 1.934 18223
6626 1 15 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.636 -2.306 18223
6627 1 15 . 1 1 44 44 VAL H H 35 8.332 8.332 8.093 0.239 18223
6628 1 15 . 1 1 46 46 SER N N 37 113.762 113.762 114.248 -0.486 18223
6629 1 15 . 1 1 46 46 SER CA C 37 61.130 61.130 60.793 0.337 18223
6630 1 15 . 1 1 46 46 SER CB C 37 62.789 62.789 63.035 -0.245 18223
6631 1 15 . 1 1 46 46 SER H H 37 7.924 7.924 8.201 -0.277 18223
6632 1 15 . 1 1 47 47 LEU N N 38 124.450 124.450 121.115 3.335 18223
6633 1 15 . 1 1 47 47 LEU C C 38 176.440 176.440 178.047 -1.607 18223
6634 1 15 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.960 -0.600 18223
6635 1 15 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.011 0.793 18223
6636 1 15 . 1 1 47 47 LEU H H 38 8.108 8.108 8.241 -0.133 18223
6637 1 15 . 1 1 48 48 ALA N N 39 121.290 121.290 120.661 0.629 18223
6638 1 15 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.215 -0.605 18223
6639 1 15 . 1 1 48 48 ALA H H 39 8.250 8.250 7.634 0.616 18223
6640 1 15 . 1 1 49 49 ALA N N 40 120.070 120.070 120.121 -0.051 18223
6641 1 15 . 1 1 49 49 ALA C C 40 179.910 179.910 179.895 0.015 18223
6642 1 15 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.718 0.392 18223
6643 1 15 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.449 -0.368 18223
6644 1 15 . 1 1 49 49 ALA H H 40 8.145 8.145 7.957 0.188 18223
6645 1 15 . 1 1 50 50 GLY N N 41 104.977 104.977 107.751 -2.774 18223
6646 1 15 . 1 1 50 50 GLY C C 41 174.870 174.870 175.798 -0.928 18223
6647 1 15 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.857 0.068 18223
6648 1 15 . 1 1 50 50 GLY H H 41 8.103 8.103 8.546 -0.443 18223
6649 1 15 . 1 1 51 51 LEU N N 42 122.431 122.431 122.294 0.137 18223
6650 1 15 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.419 -0.088 18223
6651 1 15 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.120 -0.315 18223
6652 1 15 . 1 1 51 51 LEU H H 42 7.796 7.796 8.010 -0.214 18223
6653 1 15 . 1 1 52 52 LEU N N 43 119.483 119.483 120.339 -0.856 18223
6654 1 15 . 1 1 52 52 LEU C C 43 179.910 179.910 179.061 0.849 18223
6655 1 15 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.795 -1.025 18223
6656 1 15 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.717 -0.345 18223
6657 1 15 . 1 1 52 52 LEU H H 43 7.862 7.862 7.968 -0.106 18223
6658 1 15 . 1 1 53 53 PHE N N 44 117.117 117.117 117.534 -0.417 18223
6659 1 15 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.244 0.127 18223
6660 1 15 . 1 1 53 53 PHE C C 44 178.530 178.530 178.087 0.443 18223
6661 1 15 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.576 -1.426 18223
6662 1 15 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.335 -0.207 18223
6663 1 15 . 1 1 53 53 PHE H H 44 8.343 8.343 8.343 0.000 18223
6664 1 15 . 1 1 54 54 GLY N N 45 107.605 107.605 108.155 -0.550 18223
6665 1 15 . 1 1 54 54 GLY C C 45 176.400 176.400 175.720 0.680 18223
6666 1 15 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.525 -0.775 18223
6667 1 15 . 1 1 54 54 GLY H H 45 8.150 8.150 7.888 0.262 18223
6668 1 15 . 1 1 55 55 SER N N 46 117.713 117.713 117.825 -0.112 18223
6669 1 15 . 1 1 55 55 SER C C 46 176.130 176.130 176.908 -0.778 18223
6670 1 15 . 1 1 55 55 SER CA C 46 61.240 61.240 61.483 -0.243 18223
6671 1 15 . 1 1 55 55 SER CB C 46 63.294 63.294 63.177 0.117 18223
6672 1 15 . 1 1 55 55 SER H H 46 7.942 7.942 7.870 0.072 18223
6673 1 15 . 1 1 56 56 LEU N N 47 121.618 121.618 123.311 -1.693 18223
6674 1 15 . 1 1 56 56 LEU C C 47 178.510 178.510 177.842 0.668 18223
6675 1 15 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.566 -0.805 18223
6676 1 15 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.808 -0.652 18223
6677 1 15 . 1 1 56 56 LEU H H 47 7.910 7.910 8.129 -0.219 18223
6678 1 15 . 1 1 57 57 ALA N N 48 121.557 121.557 120.433 1.124 18223
6679 1 15 . 1 1 57 57 ALA C C 48 180.040 180.040 179.240 0.800 18223
6680 1 15 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.813 -0.263 18223
6681 1 15 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.266 -0.185 18223
6682 1 15 . 1 1 57 57 ALA H H 48 7.878 7.878 8.318 -0.440 18223
6683 1 15 . 1 1 58 58 GLY N N 49 106.435 106.435 107.669 -1.234 18223
6684 1 15 . 1 1 58 58 GLY C C 49 175.740 175.740 176.576 -0.836 18223
6685 1 15 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.344 -1.065 18223
6686 1 15 . 1 1 58 58 GLY H H 49 8.085 8.085 8.017 0.068 18223
6687 1 15 . 1 1 59 59 LEU N N 50 121.230 121.230 121.970 -0.740 18223
6688 1 15 . 1 1 59 59 LEU C C 50 178.390 178.390 179.919 -1.529 18223
6689 1 15 . 1 1 59 59 LEU CA C 50 56.430 56.430 56.641 -0.211 18223
6690 1 15 . 1 1 59 59 LEU CB C 50 41.661 41.661 40.470 1.191 18223
6691 1 15 . 1 1 59 59 LEU H H 50 7.770 7.770 8.227 -0.457 18223
6692 1 15 . 1 1 60 60 GLY N N 51 106.525 106.525 107.666 -1.141 18223
6693 1 15 . 1 1 60 60 GLY C C 51 174.820 174.820 175.119 -0.299 18223
6694 1 15 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.280 -0.990 18223
6695 1 15 . 1 1 60 60 GLY H H 51 8.090 8.090 7.761 0.329 18223
6696 1 15 . 1 1 61 61 ALA N N 52 122.773 122.773 121.528 1.245 18223
6697 1 15 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.156 -0.054 18223
6698 1 15 . 1 1 61 61 ALA C C 52 178.320 178.320 176.484 1.836 18223
6699 1 15 . 1 1 61 61 ALA CA C 52 53.420 53.420 52.253 1.167 18223
6700 1 15 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.544 -1.102 18223
6701 1 15 . 1 1 61 61 ALA H H 52 7.819 7.819 7.439 0.380 18223
6702 1 15 . 1 1 62 62 TYR N N 53 118.481 118.481 116.146 2.335 18223
6703 1 15 . 1 1 62 62 TYR C C 53 176.390 176.390 174.100 2.290 18223
6704 1 15 . 1 1 62 62 TYR CA C 53 59.000 59.000 54.181 4.819 18223
6705 1 15 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.303 2.041 18223
6706 1 15 . 1 1 62 62 TYR H H 53 7.794 7.794 7.433 0.361 18223
6707 1 15 . 1 1 63 63 GLN N N 54 120.770 120.770 119.984 0.786 18223
6708 1 15 . 1 1 63 63 GLN CA C 54 56.560 56.560 57.179 -0.619 18223
6709 1 15 . 1 1 63 63 GLN CB C 54 28.648 28.648 31.064 -2.416 18223
6710 1 15 . 1 1 63 63 GLN H H 54 8.033 8.033 7.584 0.449 18223
6711 1 15 . 1 1 64 64 LEU N N 55 121.847 121.847 120.651 1.196 18223
6712 1 15 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.476 -0.306 18223
6713 1 15 . 1 1 64 64 LEU C C 55 177.790 177.790 174.929 2.861 18223
6714 1 15 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.930 0.080 18223
6715 1 15 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.917 -2.112 18223
6716 1 15 . 1 1 64 64 LEU H H 55 8.018 8.018 7.903 0.115 18223
6717 1 15 . 1 1 65 65 SER N N 56 113.937 113.937 118.414 -4.477 18223
6718 1 15 . 1 1 65 65 SER C C 56 174.710 174.710 172.246 2.464 18223
6719 1 15 . 1 1 65 65 SER CA C 56 59.050 59.050 58.650 0.400 18223
6720 1 15 . 1 1 65 65 SER CB C 56 63.554 63.554 63.624 -0.070 18223
6721 1 15 . 1 1 65 65 SER H H 56 7.892 7.892 8.707 -0.815 18223
6722 1 15 . 1 1 66 66 GLN N N 57 120.154 120.154 119.633 0.521 18223
6723 1 15 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.352 -0.109 18223
6724 1 15 . 1 1 66 66 GLN C C 57 175.760 175.760 173.431 2.329 18223
6725 1 15 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.270 -0.620 18223
6726 1 15 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.205 -0.657 18223
6727 1 15 . 1 1 66 66 GLN H H 57 7.625 7.625 8.063 -0.438 18223
6728 1 15 . 1 1 67 67 ASP N N 58 120.090 120.090 121.575 -1.485 18223
6729 1 15 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.637 -2.637 18223
6730 1 15 . 1 1 67 67 ASP H H 58 8.000 8.000 8.285 -0.285 18223
6731 1 15 . 1 1 68 68 PRO C C 59 177.890 177.890 178.704 -0.814 18223
6732 1 15 . 1 1 69 69 ARG N N 60 117.806 117.806 119.867 -2.061 18223
6733 1 15 . 1 1 69 69 ARG C C 60 178.330 178.330 178.757 -0.427 18223
6734 1 15 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.382 -1.487 18223
6735 1 15 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.685 -0.483 18223
6736 1 15 . 1 1 69 69 ARG H H 60 8.402 8.402 8.553 -0.151 18223
6737 1 15 . 1 1 70 70 ASN N N 61 116.920 116.920 116.697 0.223 18223
6738 1 15 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.592 -1.292 18223
6739 1 15 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.952 0.115 18223
6740 1 15 . 1 1 70 70 ASN H H 61 7.930 7.930 8.325 -0.395 18223
6741 1 15 . 1 1 71 71 VAL N N 62 120.795 120.795 120.713 0.082 18223
6742 1 15 . 1 1 71 71 VAL CA C 62 65.927 65.927 67.325 -1.398 18223
6743 1 15 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.638 -0.644 18223
6744 1 15 . 1 1 71 71 VAL H H 62 7.783 7.783 7.615 0.168 18223
6745 1 15 . 1 1 72 72 TRP N N 63 120.550 120.550 120.714 -0.164 18223
6746 1 15 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.249 0.168 18223
6747 1 15 . 1 1 72 72 TRP C C 63 177.850 177.850 178.599 -0.749 18223
6748 1 15 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.416 -1.286 18223
6749 1 15 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.635 -0.322 18223
6750 1 15 . 1 1 72 72 TRP H H 63 7.760 7.760 8.282 -0.522 18223
6751 1 15 . 1 1 73 73 VAL N N 64 117.896 117.896 117.775 0.121 18223
6752 1 15 . 1 1 73 73 VAL C C 64 179.270 179.270 178.389 0.881 18223
6753 1 15 . 1 1 73 73 VAL CA C 64 66.530 66.530 65.920 0.610 18223
6754 1 15 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.948 0.360 18223
6755 1 15 . 1 1 73 73 VAL H H 64 7.905 7.905 8.266 -0.361 18223
6756 1 15 . 1 1 74 74 PHE N N 65 122.086 122.086 121.511 0.575 18223
6757 1 15 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.462 -0.237 18223
6758 1 15 . 1 1 74 74 PHE C C 65 177.760 177.760 176.802 0.958 18223
6759 1 15 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.076 0.214 18223
6760 1 15 . 1 1 74 74 PHE CB C 65 38.560 38.560 39.051 -0.491 18223
6761 1 15 . 1 1 74 74 PHE H H 65 7.857 7.857 8.301 -0.444 18223
6762 1 15 . 1 1 75 75 LEU N N 66 121.304 121.304 122.178 -0.874 18223
6763 1 15 . 1 1 75 75 LEU C C 66 179.060 179.060 178.078 0.982 18223
6764 1 15 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.907 -0.107 18223
6765 1 15 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.227 0.072 18223
6766 1 15 . 1 1 75 75 LEU H H 66 8.326 8.326 8.020 0.306 18223
6767 1 15 . 1 1 76 76 ALA N N 67 120.420 120.420 119.110 1.310 18223
6768 1 15 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.947 0.449 18223
6769 1 15 . 1 1 76 76 ALA C C 67 180.180 180.180 179.637 0.543 18223
6770 1 15 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.184 -0.594 18223
6771 1 15 . 1 1 76 76 ALA H H 67 8.283 8.283 8.173 0.110 18223
6772 1 15 . 1 1 77 77 THR N N 68 111.152 111.152 115.429 -4.277 18223
6773 1 15 . 1 1 77 77 THR C C 68 175.830 175.830 176.581 -0.751 18223
6774 1 15 . 1 1 77 77 THR CA C 68 64.159 64.159 67.424 -3.265 18223
6775 1 15 . 1 1 77 77 THR CB C 68 69.711 69.711 68.695 1.016 18223
6776 1 15 . 1 1 77 77 THR H H 68 7.951 7.951 7.991 -0.040 18223
6777 1 15 . 1 1 78 78 SER N N 69 117.883 117.883 115.772 2.111 18223
6778 1 15 . 1 1 78 78 SER C C 69 176.000 176.000 177.222 -1.222 18223
6779 1 15 . 1 1 78 78 SER CA C 69 60.730 60.730 60.786 -0.056 18223
6780 1 15 . 1 1 78 78 SER H H 69 7.839 7.839 7.968 -0.129 18223
6781 1 15 . 1 1 79 79 GLY N N 70 111.078 111.078 110.353 0.725 18223
6782 1 15 . 1 1 79 79 GLY C C 70 175.830 175.830 175.767 0.063 18223
6783 1 15 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.388 -0.678 18223
6784 1 15 . 1 1 79 79 GLY H H 70 8.269 8.269 7.909 0.360 18223
6785 1 15 . 1 1 80 80 THR N N 71 117.727 117.727 118.646 -0.919 18223
6786 1 15 . 1 1 80 80 THR C C 71 176.110 176.110 176.562 -0.452 18223
6787 1 15 . 1 1 80 80 THR CA C 71 66.178 66.178 65.860 0.318 18223
6788 1 15 . 1 1 80 80 THR CB C 71 68.630 68.630 68.979 -0.349 18223
6789 1 15 . 1 1 80 80 THR H H 71 7.823 7.823 7.800 0.023 18223
6790 1 15 . 1 1 81 81 LEU N N 72 121.422 121.422 122.287 -0.865 18223
6791 1 15 . 1 1 81 81 LEU C C 72 178.620 178.620 177.973 0.647 18223
6792 1 15 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.939 -1.249 18223
6793 1 15 . 1 1 81 81 LEU H H 72 7.846 7.846 8.131 -0.285 18223
6794 1 15 . 1 1 82 82 ALA N N 73 121.160 121.160 118.568 2.592 18223
6795 1 15 . 1 1 82 82 ALA C C 73 180.440 180.440 178.660 1.780 18223
6796 1 15 . 1 1 82 82 ALA CA C 73 55.180 55.180 53.764 1.416 18223
6797 1 15 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.740 -0.875 18223
6798 1 15 . 1 1 82 82 ALA H H 73 8.050 8.050 8.008 0.042 18223
6799 1 15 . 1 1 83 83 GLY N N 74 106.017 106.017 107.930 -1.913 18223
6800 1 15 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.673 0.337 18223
6801 1 15 . 1 1 83 83 GLY H H 74 8.132 8.132 7.653 0.479 18223
6802 1 15 . 1 1 84 84 ILE N N 75 122.030 122.030 121.031 0.999 18223
6803 1 15 . 1 1 84 84 ILE C C 75 178.530 178.530 177.269 1.261 18223
6804 1 15 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.592 1.138 18223
6805 1 15 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.192 -0.425 18223
6806 1 15 . 1 1 84 84 ILE H H 75 7.930 7.930 8.231 -0.301 18223
6807 1 15 . 1 1 85 85 MET N N 76 117.920 117.920 117.976 -0.056 18223
6808 1 15 . 1 1 85 85 MET CA C 76 57.810 57.810 55.561 2.249 18223
6809 1 15 . 1 1 85 85 MET H H 76 8.140 8.140 7.679 0.461 18223
6810 1 15 . 1 1 86 86 GLY N N 77 109.118 109.118 104.540 4.578 18223
6811 1 15 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.354 1.417 18223
6812 1 15 . 1 1 86 86 GLY H H 77 7.920 7.920 7.961 -0.041 18223
6813 1 15 . 1 1 87 87 MET N N 78 119.220 119.220 120.342 -1.122 18223
6814 1 15 . 1 1 87 87 MET CA C 78 55.810 55.810 55.965 -0.155 18223
6815 1 15 . 1 1 87 87 MET H H 78 7.950 7.950 8.589 -0.639 18223
6816 1 15 . 1 1 88 88 ARG N N 79 120.090 120.090 117.951 2.139 18223
6817 1 15 . 1 1 88 88 ARG CA C 79 52.000 52.000 58.223 -6.223 18223
6818 1 15 . 1 1 88 88 ARG H H 79 8.000 8.000 8.267 -0.267 18223
6819 1 15 . 1 1 90 90 TYR C C 81 176.310 176.310 174.028 2.282 18223
6820 1 15 . 1 1 91 91 HIS N N 82 118.270 118.270 119.214 -0.944 18223
6821 1 15 . 1 1 91 91 HIS C C 82 174.940 174.940 174.651 0.289 18223
6822 1 15 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.448 -0.598 18223
6823 1 15 . 1 1 91 91 HIS H H 82 8.130 8.130 8.292 -0.162 18223
6824 1 15 . 1 1 92 92 SER N N 83 115.818 115.818 115.791 0.027 18223
6825 1 15 . 1 1 92 92 SER C C 83 175.470 175.470 174.327 1.143 18223
6826 1 15 . 1 1 92 92 SER CA C 83 59.430 59.430 58.858 0.572 18223
6827 1 15 . 1 1 92 92 SER CB C 83 63.870 63.870 63.316 0.553 18223
6828 1 15 . 1 1 92 92 SER H H 83 8.007 8.007 8.910 -0.903 18223
6829 1 15 . 1 1 93 93 GLY N N 84 110.518 110.518 110.105 0.413 18223
6830 1 15 . 1 1 93 93 GLY C C 84 174.740 174.740 174.762 -0.022 18223
6831 1 15 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.722 0.208 18223
6832 1 15 . 1 1 93 93 GLY H H 84 8.099 8.099 8.740 -0.641 18223
6833 1 15 . 1 1 94 94 LYS N N 85 120.088 120.088 118.650 1.438 18223
6834 1 15 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.189 0.254 18223
6835 1 15 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.574 -0.215 18223
6836 1 15 . 1 1 94 94 LYS H H 85 7.810 7.810 8.258 -0.448 18223
6837 1 15 . 1 1 95 95 PHE N N 86 118.766 118.766 120.380 -1.614 18223
6838 1 15 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.338 0.472 18223
6839 1 15 . 1 1 95 95 PHE CB C 86 39.281 39.281 39.428 -0.147 18223
6840 1 15 . 1 1 95 95 PHE H H 86 7.911 7.911 8.430 -0.519 18223
6841 1 15 . 1 1 96 96 MET N N 87 120.600 120.600 118.826 1.774 18223
6842 1 15 . 1 1 96 96 MET CA C 87 53.150 53.150 55.030 -1.880 18223
6843 1 15 . 1 1 96 96 MET H H 87 7.670 7.670 8.142 -0.472 18223
6844 1 15 . 1 1 97 97 PRO C C 88 176.820 176.820 177.008 -0.188 18223
6845 1 15 . 1 1 98 98 ALA N N 89 124.300 124.300 121.272 3.028 18223
6846 1 15 . 1 1 98 98 ALA C C 89 179.480 179.480 177.565 1.915 18223
6847 1 15 . 1 1 98 98 ALA CA C 89 53.390 53.390 53.792 -0.402 18223
6848 1 15 . 1 1 98 98 ALA CB C 89 18.802 18.802 18.720 0.082 18223
6849 1 15 . 1 1 98 98 ALA H H 89 8.302 8.302 8.272 0.030 18223
6850 1 15 . 1 1 99 99 GLY N N 90 107.011 107.011 105.767 1.244 18223
6851 1 15 . 1 1 99 99 GLY C C 90 174.920 174.920 174.223 0.697 18223
6852 1 15 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.605 1.275 18223
6853 1 15 . 1 1 99 99 GLY H H 90 8.341 8.341 7.685 0.656 18223
6854 1 15 . 1 1 100 100 LEU N N 91 120.873 120.873 121.896 -1.023 18223
6855 1 15 . 1 1 100 100 LEU C C 91 177.250 177.250 178.747 -1.497 18223
6856 1 15 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.649 -1.549 18223
6857 1 15 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.946 0.148 18223
6858 1 15 . 1 1 100 100 LEU H H 91 7.732 7.732 8.042 -0.310 18223
6859 1 15 . 1 1 101 101 ILE N N 92 118.245 118.245 119.946 -1.701 18223
6860 1 15 . 1 1 101 101 ILE C C 92 177.130 177.130 177.486 -0.356 18223
6861 1 15 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.020 -3.106 18223
6862 1 15 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.648 1.480 18223
6863 1 15 . 1 1 101 101 ILE H H 92 7.668 7.668 8.306 -0.638 18223
6864 1 15 . 1 1 102 102 ALA N N 93 127.523 127.523 123.693 3.830 18223
6865 1 15 . 1 1 102 102 ALA C C 93 179.370 179.370 179.868 -0.498 18223
6866 1 15 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.342 -2.504 18223
6867 1 15 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.821 1.198 18223
6868 1 15 . 1 1 102 102 ALA H H 93 8.110 8.110 8.375 -0.265 18223
6869 1 15 . 1 1 103 103 GLY N N 94 109.013 109.013 106.698 2.315 18223
6870 1 15 . 1 1 103 103 GLY C C 94 175.290 175.290 176.180 -0.890 18223
6871 1 15 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.820 -1.400 18223
6872 1 15 . 1 1 103 103 GLY H H 94 8.180 8.180 8.337 -0.157 18223
6873 1 15 . 1 1 104 104 ALA N N 95 123.130 123.130 124.671 -1.541 18223
6874 1 15 . 1 1 104 104 ALA C C 95 180.040 180.040 179.730 0.310 18223
6875 1 15 . 1 1 104 104 ALA H H 95 8.230 8.230 7.991 0.239 18223
6876 1 15 . 1 1 105 105 SER N N 96 114.606 114.606 114.454 0.152 18223
6877 1 15 . 1 1 105 105 SER C C 96 176.140 176.140 176.666 -0.526 18223
6878 1 15 . 1 1 105 105 SER H H 96 7.915 7.915 8.253 -0.338 18223
6879 1 15 . 1 1 106 106 LEU N N 97 122.651 122.651 122.736 -0.085 18223
6880 1 15 . 1 1 106 106 LEU C C 97 179.140 179.140 178.189 0.951 18223
6881 1 15 . 1 1 106 106 LEU H H 97 8.066 8.066 7.945 0.121 18223
6882 1 15 . 1 1 108 108 MET N N 99 118.381 118.381 119.036 -0.655 18223
6883 1 15 . 1 1 108 108 MET C C 99 178.830 178.830 178.710 0.120 18223
6884 1 15 . 1 1 108 108 MET CA C 99 58.730 58.730 60.054 -1.324 18223
6885 1 15 . 1 1 108 108 MET H H 99 7.682 7.682 8.328 -0.646 18223
6886 1 15 . 1 1 109 109 VAL N N 100 118.713 118.713 119.165 -0.452 18223
6887 1 15 . 1 1 109 109 VAL C C 100 177.930 177.930 177.237 0.693 18223
6888 1 15 . 1 1 109 109 VAL CA C 100 66.230 66.230 67.275 -1.044 18223
6889 1 15 . 1 1 109 109 VAL H H 100 7.821 7.821 8.148 -0.327 18223
6890 1 15 . 1 1 110 110 ALA N N 101 122.160 122.160 122.117 0.043 18223
6891 1 15 . 1 1 110 110 ALA C C 101 180.470 180.470 179.300 1.170 18223
6892 1 15 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.432 -0.092 18223
6893 1 15 . 1 1 110 110 ALA H H 101 8.110 8.110 7.859 0.251 18223
6894 1 15 . 1 1 111 111 LYS N N 102 120.260 120.260 117.958 2.302 18223
6895 1 15 . 1 1 111 111 LYS C C 102 177.490 177.490 178.431 -0.941 18223
6896 1 15 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.260 -1.770 18223
6897 1 15 . 1 1 111 111 LYS H H 102 7.870 7.870 7.880 -0.010 18223
6898 1 15 . 1 1 112 112 VAL N N 103 120.410 120.410 116.708 3.702 18223
6899 1 15 . 1 1 112 112 VAL C C 103 176.240 176.240 177.659 -1.419 18223
6900 1 15 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.226 0.494 18223
6901 1 15 . 1 1 112 112 VAL H H 103 7.990 7.990 7.740 0.250 18223
6902 1 15 . 1 1 113 113 GLY N N 104 108.926 108.926 107.008 1.918 18223
6903 1 15 . 1 1 113 113 GLY C C 104 175.150 175.150 174.154 0.996 18223
6904 1 15 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.152 1.498 18223
6905 1 15 . 1 1 113 113 GLY H H 104 8.477 8.477 7.680 0.797 18223
6906 1 15 . 1 1 114 114 VAL N N 105 119.350 119.350 118.815 0.535 18223
6907 1 15 . 1 1 114 114 VAL C C 105 178.390 178.390 174.630 3.760 18223
6908 1 15 . 1 1 114 114 VAL CA C 105 66.140 66.140 60.405 5.735 18223
6909 1 15 . 1 1 114 114 VAL H H 105 8.310 8.310 8.042 0.268 18223
6910 1 15 . 1 1 115 115 SER N N 106 115.964 115.964 115.196 0.768 18223
6911 1 15 . 1 1 115 115 SER C C 106 177.250 177.250 173.908 3.342 18223
6912 1 15 . 1 1 115 115 SER CA C 106 61.130 61.130 59.330 1.800 18223
6913 1 15 . 1 1 115 115 SER H H 106 7.815 7.815 8.145 -0.330 18223
6914 1 15 . 1 1 116 116 MET N N 107 120.190 120.190 122.385 -2.195 18223
6915 1 15 . 1 1 116 116 MET C C 107 177.190 177.190 174.849 2.341 18223
6916 1 15 . 1 1 116 116 MET CA C 107 57.450 57.450 57.603 -0.153 18223
6917 1 15 . 1 1 116 116 MET H H 107 7.820 7.820 8.356 -0.536 18223
6918 1 15 . 1 1 117 117 PHE N N 108 117.325 117.325 120.607 -3.282 18223
6919 1 15 . 1 1 117 117 PHE C C 108 175.740 175.740 173.821 1.919 18223
6920 1 15 . 1 1 117 117 PHE CA C 108 58.870 58.870 56.698 2.172 18223
6921 1 15 . 1 1 117 117 PHE H H 108 7.735 7.735 8.104 -0.369 18223
6922 1 15 . 1 1 118 118 ASN N N 109 118.878 118.878 123.640 -4.762 18223
6923 1 15 . 1 1 118 118 ASN C C 109 174.830 174.830 174.037 0.793 18223
6924 1 15 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.938 0.122 18223
6925 1 15 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.582 -0.517 18223
6926 1 15 . 1 1 118 118 ASN H H 109 7.907 7.907 8.639 -0.732 18223
6927 1 15 . 1 1 119 119 ARG N N 110 122.870 122.870 122.353 0.517 18223
6928 1 15 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.641 -1.491 18223
6929 1 15 . 1 1 119 119 ARG H H 110 7.894 7.894 8.360 -0.466 18223
6930 1 15 . 1 1 120 120 PRO C C 111 176.590 176.590 177.071 -0.481 18223
6931 1 16 . 1 1 11 11 GLN C C 2 176.170 176.170 173.540 2.630 18223
6932 1 16 . 1 1 12 12 ASP N N 3 120.369 120.369 121.485 -1.116 18223
6933 1 16 . 1 1 12 12 ASP HA H 3 4.150 4.150 5.112 -0.962 18223
6934 1 16 . 1 1 12 12 ASP C C 3 176.980 176.980 175.548 1.432 18223
6935 1 16 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.924 0.913 18223
6936 1 16 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.209 -1.413 18223
6937 1 16 . 1 1 12 12 ASP H H 3 8.275 8.275 8.556 -0.281 18223
6938 1 16 . 1 1 13 13 THR N N 4 114.220 114.220 114.243 -0.023 18223
6939 1 16 . 1 1 13 13 THR HA H 4 4.636 4.636 4.010 0.626 18223
6940 1 16 . 1 1 13 13 THR C C 4 175.530 175.530 174.367 1.163 18223
6941 1 16 . 1 1 13 13 THR CA C 4 62.790 62.790 63.050 -0.259 18223
6942 1 16 . 1 1 13 13 THR CB C 4 69.134 69.134 68.750 0.384 18223
6943 1 16 . 1 1 13 13 THR H H 4 7.990 7.990 8.492 -0.502 18223
6944 1 16 . 1 1 14 14 SER N N 5 117.664 117.664 118.652 -0.988 18223
6945 1 16 . 1 1 14 14 SER HA H 5 4.296 4.296 4.597 -0.301 18223
6946 1 16 . 1 1 14 14 SER C C 5 175.200 175.200 174.073 1.127 18223
6947 1 16 . 1 1 14 14 SER CA C 5 59.443 59.443 57.422 2.021 18223
6948 1 16 . 1 1 14 14 SER CB C 5 63.438 63.438 63.057 0.381 18223
6949 1 16 . 1 1 14 14 SER H H 5 8.255 8.255 8.691 -0.436 18223
6950 1 16 . 1 1 15 15 SER N N 6 117.093 117.093 117.215 -0.122 18223
6951 1 16 . 1 1 15 15 SER HA H 6 4.317 4.317 4.049 0.268 18223
6952 1 16 . 1 1 15 15 SER C C 6 174.770 174.770 173.879 0.891 18223
6953 1 16 . 1 1 15 15 SER CA C 6 58.737 58.737 59.407 -0.670 18223
6954 1 16 . 1 1 15 15 SER CB C 6 63.656 63.656 62.645 1.011 18223
6955 1 16 . 1 1 15 15 SER H H 6 8.050 8.050 8.485 -0.435 18223
6956 1 16 . 1 1 16 16 VAL N N 7 119.995 119.995 113.766 6.229 18223
6957 1 16 . 1 1 16 16 VAL C C 7 176.150 176.150 175.024 1.126 18223
6958 1 16 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.573 -0.830 18223
6959 1 16 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.414 1.801 18223
6960 1 16 . 1 1 16 16 VAL H H 7 7.775 7.775 8.201 -0.426 18223
6961 1 16 . 1 1 17 17 VAL N N 8 121.090 121.090 121.912 -0.822 18223
6962 1 16 . 1 1 17 17 VAL CA C 8 60.910 60.910 59.596 1.315 18223
6963 1 16 . 1 1 17 17 VAL H H 8 7.730 7.730 7.675 0.055 18223
6964 1 16 . 1 1 18 18 PRO C C 9 178.410 178.410 177.418 0.992 18223
6965 1 16 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.150 1.360 18223
6966 1 16 . 1 1 19 19 LEU N N 10 121.410 121.410 123.342 -1.932 18223
6967 1 16 . 1 1 19 19 LEU C C 10 178.910 178.910 178.533 0.377 18223
6968 1 16 . 1 1 19 19 LEU CA C 10 56.850 56.850 58.974 -2.124 18223
6969 1 16 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.937 -0.492 18223
6970 1 16 . 1 1 19 19 LEU H H 10 7.930 7.930 8.580 -0.650 18223
6971 1 16 . 1 1 20 20 HIS N N 11 116.900 116.900 116.894 0.006 18223
6972 1 16 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.381 0.250 18223
6973 1 16 . 1 1 20 20 HIS C C 11 174.990 174.990 178.011 -3.021 18223
6974 1 16 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.743 -2.743 18223
6975 1 16 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.476 -1.516 18223
6976 1 16 . 1 1 20 20 HIS H H 11 8.384 8.384 8.474 -0.090 18223
6977 1 16 . 1 1 21 21 TRP C C 12 177.660 177.660 179.038 -1.378 18223
6978 1 16 . 1 1 22 22 PHE N N 13 119.238 119.238 118.703 0.535 18223
6979 1 16 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.207 0.081 18223
6980 1 16 . 1 1 22 22 PHE C C 13 177.410 177.410 178.197 -0.787 18223
6981 1 16 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.343 -1.645 18223
6982 1 16 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.682 -0.338 18223
6983 1 16 . 1 1 22 22 PHE H H 13 7.883 7.883 8.772 -0.889 18223
6984 1 16 . 1 1 23 23 GLY N N 14 107.209 107.209 106.389 0.820 18223
6985 1 16 . 1 1 23 23 GLY C C 14 176.220 176.220 176.037 0.183 18223
6986 1 16 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.213 -0.133 18223
6987 1 16 . 1 1 23 23 GLY H H 14 7.911 7.911 8.336 -0.425 18223
6988 1 16 . 1 1 24 24 PHE N N 15 121.880 121.880 123.509 -1.629 18223
6989 1 16 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.314 0.099 18223
6990 1 16 . 1 1 24 24 PHE C C 15 177.840 177.840 177.683 0.157 18223
6991 1 16 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.239 -1.149 18223
6992 1 16 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.325 -0.476 18223
6993 1 16 . 1 1 24 24 PHE H H 15 7.900 7.900 8.512 -0.612 18223
6994 1 16 . 1 1 25 25 GLY N N 16 107.640 107.640 106.762 0.878 18223
6995 1 16 . 1 1 25 25 GLY C C 16 174.910 174.910 175.688 -0.778 18223
6996 1 16 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.108 0.222 18223
6997 1 16 . 1 1 25 25 GLY H H 16 8.320 8.320 8.930 -0.610 18223
6998 1 16 . 1 1 26 26 TYR N N 17 121.804 121.804 123.643 -1.839 18223
6999 1 16 . 1 1 26 26 TYR C C 17 177.120 177.120 176.929 0.191 18223
7000 1 16 . 1 1 26 26 TYR CA C 17 61.670 61.670 60.983 0.686 18223
7001 1 16 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.513 -0.112 18223
7002 1 16 . 1 1 26 26 TYR H H 17 8.365 8.365 8.359 0.006 18223
7003 1 16 . 1 1 27 27 ALA N N 18 120.785 120.785 120.530 0.255 18223
7004 1 16 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.478 0.405 18223
7005 1 16 . 1 1 27 27 ALA C C 18 178.790 178.790 179.047 -0.257 18223
7006 1 16 . 1 1 27 27 ALA CA C 18 55.040 55.040 54.833 0.207 18223
7007 1 16 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.821 -0.100 18223
7008 1 16 . 1 1 27 27 ALA H H 18 7.949 7.949 8.328 -0.379 18223
7009 1 16 . 1 1 28 28 ALA N N 19 120.210 120.210 120.320 -0.110 18223
7010 1 16 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.461 0.389 18223
7011 1 16 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.011 -0.290 18223
7012 1 16 . 1 1 28 28 ALA H H 19 7.870 7.870 7.927 -0.057 18223
7013 1 16 . 1 1 29 29 LEU N N 20 120.090 120.090 119.988 0.102 18223
7014 1 16 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.805 -5.805 18223
7015 1 16 . 1 1 29 29 LEU H H 20 8.000 8.000 7.672 0.328 18223
7016 1 16 . 1 1 30 30 VAL N N 21 118.299 118.299 119.439 -1.140 18223
7017 1 16 . 1 1 30 30 VAL C C 21 178.920 178.920 177.806 1.114 18223
7018 1 16 . 1 1 30 30 VAL CA C 21 65.620 65.620 67.346 -1.726 18223
7019 1 16 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.312 -0.035 18223
7020 1 16 . 1 1 30 30 VAL H H 21 7.947 7.947 7.843 0.104 18223
7021 1 16 . 1 1 31 31 ALA N N 22 122.600 122.600 119.768 2.832 18223
7022 1 16 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.831 0.342 18223
7023 1 16 . 1 1 31 31 ALA C C 22 179.540 179.540 179.190 0.350 18223
7024 1 16 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.045 -0.837 18223
7025 1 16 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.741 0.701 18223
7026 1 16 . 1 1 31 31 ALA H H 22 7.819 7.819 7.926 -0.107 18223
7027 1 16 . 1 1 32 32 SER N N 23 113.502 113.502 115.376 -1.874 18223
7028 1 16 . 1 1 32 32 SER HA H 23 4.015 4.015 3.960 0.055 18223
7029 1 16 . 1 1 32 32 SER C C 23 175.890 175.890 176.734 -0.844 18223
7030 1 16 . 1 1 32 32 SER CA C 23 60.490 60.490 61.539 -1.049 18223
7031 1 16 . 1 1 32 32 SER CB C 23 63.510 63.510 62.762 0.748 18223
7032 1 16 . 1 1 32 32 SER H H 23 7.826 7.826 8.075 -0.249 18223
7033 1 16 . 1 1 33 33 GLY N N 24 109.939 109.939 108.692 1.247 18223
7034 1 16 . 1 1 33 33 GLY C C 24 176.180 176.180 175.466 0.714 18223
7035 1 16 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.639 0.011 18223
7036 1 16 . 1 1 33 33 GLY H H 24 7.985 7.985 8.253 -0.268 18223
7037 1 16 . 1 1 34 34 GLY N N 25 109.396 109.396 110.151 -0.755 18223
7038 1 16 . 1 1 34 34 GLY C C 25 175.330 175.330 175.920 -0.590 18223
7039 1 16 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.643 -0.473 18223
7040 1 16 . 1 1 34 34 GLY H H 25 8.235 8.235 7.875 0.360 18223
7041 1 16 . 1 1 35 35 ILE N N 26 120.211 120.211 123.084 -2.873 18223
7042 1 16 . 1 1 35 35 ILE C C 26 177.400 177.400 178.144 -0.744 18223
7043 1 16 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.638 -1.808 18223
7044 1 16 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.148 -0.309 18223
7045 1 16 . 1 1 35 35 ILE H H 26 7.998 7.998 7.986 0.012 18223
7046 1 16 . 1 1 36 36 ILE N N 27 120.051 120.051 119.220 0.831 18223
7047 1 16 . 1 1 36 36 ILE C C 27 177.900 177.900 177.423 0.477 18223
7048 1 16 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.991 -1.141 18223
7049 1 16 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.386 -0.556 18223
7050 1 16 . 1 1 36 36 ILE H H 27 7.998 7.998 8.225 -0.227 18223
7051 1 16 . 1 1 37 37 GLY N N 28 107.531 107.531 107.615 -0.084 18223
7052 1 16 . 1 1 37 37 GLY C C 28 176.120 176.120 176.160 -0.040 18223
7053 1 16 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.534 0.266 18223
7054 1 16 . 1 1 37 37 GLY H H 28 7.983 7.983 7.424 0.559 18223
7055 1 16 . 1 1 38 38 TYR N N 29 120.900 120.900 122.021 -1.121 18223
7056 1 16 . 1 1 38 38 TYR C C 29 176.530 176.530 177.649 -1.119 18223
7057 1 16 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.286 -0.556 18223
7058 1 16 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.665 -0.177 18223
7059 1 16 . 1 1 38 38 TYR H H 29 7.726 7.726 8.034 -0.308 18223
7060 1 16 . 1 1 39 39 VAL N N 30 117.958 117.958 114.975 2.983 18223
7061 1 16 . 1 1 39 39 VAL C C 30 177.600 177.600 176.775 0.825 18223
7062 1 16 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.319 0.056 18223
7063 1 16 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.559 -1.138 18223
7064 1 16 . 1 1 39 39 VAL H H 30 7.849 7.849 8.383 -0.534 18223
7065 1 16 . 1 1 40 40 LYS N N 31 120.116 120.116 117.326 2.790 18223
7066 1 16 . 1 1 40 40 LYS C C 31 177.090 177.090 174.815 2.275 18223
7067 1 16 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.164 -0.394 18223
7068 1 16 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.684 0.531 18223
7069 1 16 . 1 1 40 40 LYS H H 31 8.072 8.072 7.734 0.338 18223
7070 1 16 . 1 1 41 41 ALA N N 32 122.082 122.082 120.077 2.005 18223
7071 1 16 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.382 -0.141 18223
7072 1 16 . 1 1 41 41 ALA C C 32 178.780 178.780 178.490 0.290 18223
7073 1 16 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.042 1.218 18223
7074 1 16 . 1 1 41 41 ALA CB C 32 18.730 18.730 18.512 0.218 18223
7075 1 16 . 1 1 41 41 ALA H H 32 7.786 7.786 7.534 0.252 18223
7076 1 16 . 1 1 42 42 GLY N N 33 106.746 106.746 109.645 -2.899 18223
7077 1 16 . 1 1 42 42 GLY C C 33 174.790 174.790 175.378 -0.588 18223
7078 1 16 . 1 1 42 42 GLY CA C 33 45.820 45.820 46.333 -0.513 18223
7079 1 16 . 1 1 42 42 GLY H H 33 7.964 7.964 8.512 -0.548 18223
7080 1 16 . 1 1 43 43 SER N N 34 115.541 115.541 112.275 3.266 18223
7081 1 16 . 1 1 43 43 SER HA H 34 4.491 4.491 4.356 0.135 18223
7082 1 16 . 1 1 43 43 SER C C 34 174.920 174.920 173.800 1.120 18223
7083 1 16 . 1 1 43 43 SER CA C 34 58.730 58.730 58.934 -0.204 18223
7084 1 16 . 1 1 43 43 SER CB C 34 63.798 63.798 62.820 0.978 18223
7085 1 16 . 1 1 43 43 SER H H 34 8.049 8.049 8.195 -0.146 18223
7086 1 16 . 1 1 44 44 VAL N N 35 121.887 121.887 121.546 0.341 18223
7087 1 16 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.913 1.417 18223
7088 1 16 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.295 -1.965 18223
7089 1 16 . 1 1 44 44 VAL H H 35 8.332 8.332 8.110 0.222 18223
7090 1 16 . 1 1 46 46 SER N N 37 113.762 113.762 114.477 -0.715 18223
7091 1 16 . 1 1 46 46 SER CA C 37 61.130 61.130 60.717 0.413 18223
7092 1 16 . 1 1 46 46 SER CB C 37 62.789 62.789 62.557 0.232 18223
7093 1 16 . 1 1 46 46 SER H H 37 7.924 7.924 8.168 -0.244 18223
7094 1 16 . 1 1 47 47 LEU N N 38 124.450 124.450 121.830 2.620 18223
7095 1 16 . 1 1 47 47 LEU C C 38 176.440 176.440 177.994 -1.554 18223
7096 1 16 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.986 -0.625 18223
7097 1 16 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.751 0.054 18223
7098 1 16 . 1 1 47 47 LEU H H 38 8.108 8.108 8.069 0.039 18223
7099 1 16 . 1 1 48 48 ALA N N 39 121.290 121.290 120.290 1.000 18223
7100 1 16 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.157 -0.547 18223
7101 1 16 . 1 1 48 48 ALA H H 39 8.250 8.250 7.612 0.638 18223
7102 1 16 . 1 1 49 49 ALA N N 40 120.070 120.070 120.310 -0.240 18223
7103 1 16 . 1 1 49 49 ALA C C 40 179.910 179.910 179.948 -0.038 18223
7104 1 16 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.918 0.192 18223
7105 1 16 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.509 -0.428 18223
7106 1 16 . 1 1 49 49 ALA H H 40 8.145 8.145 8.013 0.132 18223
7107 1 16 . 1 1 50 50 GLY N N 41 104.977 104.977 107.803 -2.826 18223
7108 1 16 . 1 1 50 50 GLY C C 41 174.870 174.870 175.870 -1.000 18223
7109 1 16 . 1 1 50 50 GLY CA C 41 46.925 46.925 47.092 -0.167 18223
7110 1 16 . 1 1 50 50 GLY H H 41 8.103 8.103 8.626 -0.523 18223
7111 1 16 . 1 1 51 51 LEU N N 42 122.431 122.431 122.242 0.189 18223
7112 1 16 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.943 -0.612 18223
7113 1 16 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.969 -0.164 18223
7114 1 16 . 1 1 51 51 LEU H H 42 7.796 7.796 7.847 -0.051 18223
7115 1 16 . 1 1 52 52 LEU N N 43 119.483 119.483 120.200 -0.717 18223
7116 1 16 . 1 1 52 52 LEU C C 43 179.910 179.910 179.241 0.669 18223
7117 1 16 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.524 -0.754 18223
7118 1 16 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.037 0.335 18223
7119 1 16 . 1 1 52 52 LEU H H 43 7.862 7.862 7.920 -0.058 18223
7120 1 16 . 1 1 53 53 PHE N N 44 117.117 117.117 116.283 0.834 18223
7121 1 16 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.324 0.047 18223
7122 1 16 . 1 1 53 53 PHE C C 44 178.530 178.530 178.205 0.325 18223
7123 1 16 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.373 -1.223 18223
7124 1 16 . 1 1 53 53 PHE CB C 44 38.128 38.128 37.789 0.339 18223
7125 1 16 . 1 1 53 53 PHE H H 44 8.343 8.343 8.863 -0.520 18223
7126 1 16 . 1 1 54 54 GLY N N 45 107.605 107.605 109.397 -1.792 18223
7127 1 16 . 1 1 54 54 GLY C C 45 176.400 176.400 176.039 0.361 18223
7128 1 16 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.505 -0.755 18223
7129 1 16 . 1 1 54 54 GLY H H 45 8.150 8.150 7.567 0.583 18223
7130 1 16 . 1 1 55 55 SER N N 46 117.713 117.713 117.231 0.482 18223
7131 1 16 . 1 1 55 55 SER C C 46 176.130 176.130 176.729 -0.599 18223
7132 1 16 . 1 1 55 55 SER CA C 46 61.240 61.240 61.164 0.076 18223
7133 1 16 . 1 1 55 55 SER CB C 46 63.294 63.294 62.980 0.313 18223
7134 1 16 . 1 1 55 55 SER H H 46 7.942 7.942 7.783 0.159 18223
7135 1 16 . 1 1 56 56 LEU N N 47 121.618 121.618 122.067 -0.449 18223
7136 1 16 . 1 1 56 56 LEU C C 47 178.510 178.510 177.480 1.030 18223
7137 1 16 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.953 -1.193 18223
7138 1 16 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.829 -0.673 18223
7139 1 16 . 1 1 56 56 LEU H H 47 7.910 7.910 8.104 -0.194 18223
7140 1 16 . 1 1 57 57 ALA N N 48 121.557 121.557 120.784 0.773 18223
7141 1 16 . 1 1 57 57 ALA C C 48 180.040 180.040 179.410 0.630 18223
7142 1 16 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.178 -0.628 18223
7143 1 16 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.214 -0.133 18223
7144 1 16 . 1 1 57 57 ALA H H 48 7.878 7.878 8.341 -0.463 18223
7145 1 16 . 1 1 58 58 GLY N N 49 106.435 106.435 107.417 -0.982 18223
7146 1 16 . 1 1 58 58 GLY C C 49 175.740 175.740 176.144 -0.404 18223
7147 1 16 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.148 -0.868 18223
7148 1 16 . 1 1 58 58 GLY H H 49 8.085 8.085 8.115 -0.030 18223
7149 1 16 . 1 1 59 59 LEU N N 50 121.230 121.230 123.488 -2.258 18223
7150 1 16 . 1 1 59 59 LEU C C 50 178.390 178.390 179.219 -0.829 18223
7151 1 16 . 1 1 59 59 LEU CA C 50 56.430 56.430 56.471 -0.041 18223
7152 1 16 . 1 1 59 59 LEU CB C 50 41.661 41.661 40.877 0.784 18223
7153 1 16 . 1 1 59 59 LEU H H 50 7.770 7.770 7.821 -0.051 18223
7154 1 16 . 1 1 60 60 GLY N N 51 106.525 106.525 106.841 -0.316 18223
7155 1 16 . 1 1 60 60 GLY C C 51 174.820 174.820 176.406 -1.586 18223
7156 1 16 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.133 -0.843 18223
7157 1 16 . 1 1 60 60 GLY H H 51 8.090 8.090 7.832 0.258 18223
7158 1 16 . 1 1 61 61 ALA N N 52 122.773 122.773 125.991 -3.218 18223
7159 1 16 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.273 -0.171 18223
7160 1 16 . 1 1 61 61 ALA C C 52 178.320 178.320 178.688 -0.368 18223
7161 1 16 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.097 -0.677 18223
7162 1 16 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.233 0.209 18223
7163 1 16 . 1 1 61 61 ALA H H 52 7.819 7.819 8.057 -0.238 18223
7164 1 16 . 1 1 62 62 TYR N N 53 118.481 118.481 116.814 1.667 18223
7165 1 16 . 1 1 62 62 TYR C C 53 176.390 176.390 176.280 0.110 18223
7166 1 16 . 1 1 62 62 TYR CA C 53 59.000 59.000 62.089 -3.088 18223
7167 1 16 . 1 1 62 62 TYR CB C 53 38.344 38.344 39.302 -0.958 18223
7168 1 16 . 1 1 62 62 TYR H H 53 7.794 7.794 7.609 0.185 18223
7169 1 16 . 1 1 63 63 GLN N N 54 120.770 120.770 111.768 9.002 18223
7170 1 16 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.181 0.379 18223
7171 1 16 . 1 1 63 63 GLN CB C 54 28.648 28.648 30.558 -1.910 18223
7172 1 16 . 1 1 63 63 GLN H H 54 8.033 8.033 8.280 -0.247 18223
7173 1 16 . 1 1 64 64 LEU N N 55 121.847 121.847 121.366 0.481 18223
7174 1 16 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.102 0.068 18223
7175 1 16 . 1 1 64 64 LEU C C 55 177.790 177.790 176.644 1.146 18223
7176 1 16 . 1 1 64 64 LEU CA C 55 56.010 56.010 57.541 -1.530 18223
7177 1 16 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.383 -0.578 18223
7178 1 16 . 1 1 64 64 LEU H H 55 8.018 8.018 7.985 0.033 18223
7179 1 16 . 1 1 65 65 SER N N 56 113.937 113.937 111.371 2.566 18223
7180 1 16 . 1 1 65 65 SER C C 56 174.710 174.710 172.182 2.528 18223
7181 1 16 . 1 1 65 65 SER CA C 56 59.050 59.050 58.940 0.110 18223
7182 1 16 . 1 1 65 65 SER CB C 56 63.554 63.554 64.555 -1.001 18223
7183 1 16 . 1 1 65 65 SER H H 56 7.892 7.892 7.501 0.391 18223
7184 1 16 . 1 1 66 66 GLN N N 57 120.154 120.154 122.232 -2.078 18223
7185 1 16 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.331 -0.088 18223
7186 1 16 . 1 1 66 66 GLN C C 57 175.760 175.760 173.726 2.034 18223
7187 1 16 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.203 -0.553 18223
7188 1 16 . 1 1 66 66 GLN CB C 57 29.548 29.548 30.316 -0.768 18223
7189 1 16 . 1 1 66 66 GLN H H 57 7.625 7.625 8.637 -1.012 18223
7190 1 16 . 1 1 67 67 ASP N N 58 120.090 120.090 119.866 0.224 18223
7191 1 16 . 1 1 67 67 ASP CA C 58 52.000 52.000 55.354 -3.354 18223
7192 1 16 . 1 1 67 67 ASP H H 58 8.000 8.000 8.415 -0.415 18223
7193 1 16 . 1 1 68 68 PRO C C 59 177.890 177.890 178.402 -0.512 18223
7194 1 16 . 1 1 69 69 ARG N N 60 117.806 117.806 119.186 -1.380 18223
7195 1 16 . 1 1 69 69 ARG C C 60 178.330 178.330 178.435 -0.105 18223
7196 1 16 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.450 -1.555 18223
7197 1 16 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.600 -0.398 18223
7198 1 16 . 1 1 69 69 ARG H H 60 8.402 8.402 8.582 -0.180 18223
7199 1 16 . 1 1 70 70 ASN N N 61 116.920 116.920 116.418 0.502 18223
7200 1 16 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.220 -0.920 18223
7201 1 16 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.698 0.369 18223
7202 1 16 . 1 1 70 70 ASN H H 61 7.930 7.930 8.297 -0.367 18223
7203 1 16 . 1 1 71 71 VAL N N 62 120.795 120.795 118.524 2.271 18223
7204 1 16 . 1 1 71 71 VAL CA C 62 65.927 65.927 65.215 0.713 18223
7205 1 16 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.068 -0.074 18223
7206 1 16 . 1 1 71 71 VAL H H 62 7.783 7.783 7.580 0.203 18223
7207 1 16 . 1 1 72 72 TRP N N 63 120.550 120.550 121.539 -0.989 18223
7208 1 16 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.310 0.107 18223
7209 1 16 . 1 1 72 72 TRP C C 63 177.850 177.850 178.273 -0.423 18223
7210 1 16 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.862 -1.732 18223
7211 1 16 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.366 -0.053 18223
7212 1 16 . 1 1 72 72 TRP H H 63 7.760 7.760 7.373 0.387 18223
7213 1 16 . 1 1 73 73 VAL N N 64 117.896 117.896 116.523 1.373 18223
7214 1 16 . 1 1 73 73 VAL C C 64 179.270 179.270 177.517 1.753 18223
7215 1 16 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.620 -0.090 18223
7216 1 16 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.149 0.159 18223
7217 1 16 . 1 1 73 73 VAL H H 64 7.905 7.905 8.409 -0.504 18223
7218 1 16 . 1 1 74 74 PHE N N 65 122.086 122.086 119.872 2.214 18223
7219 1 16 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.348 -0.123 18223
7220 1 16 . 1 1 74 74 PHE C C 65 177.760 177.760 177.305 0.455 18223
7221 1 16 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.553 -0.264 18223
7222 1 16 . 1 1 74 74 PHE CB C 65 38.560 38.560 39.015 -0.455 18223
7223 1 16 . 1 1 74 74 PHE H H 65 7.857 7.857 7.807 0.050 18223
7224 1 16 . 1 1 75 75 LEU N N 66 121.304 121.304 122.418 -1.114 18223
7225 1 16 . 1 1 75 75 LEU C C 66 179.060 179.060 178.538 0.522 18223
7226 1 16 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.371 0.429 18223
7227 1 16 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.043 0.257 18223
7228 1 16 . 1 1 75 75 LEU H H 66 8.326 8.326 8.479 -0.153 18223
7229 1 16 . 1 1 76 76 ALA N N 67 120.420 120.420 119.559 0.861 18223
7230 1 16 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.870 0.526 18223
7231 1 16 . 1 1 76 76 ALA C C 67 180.180 180.180 179.475 0.705 18223
7232 1 16 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.000 -0.410 18223
7233 1 16 . 1 1 76 76 ALA H H 67 8.283 8.283 8.030 0.253 18223
7234 1 16 . 1 1 77 77 THR N N 68 111.152 111.152 115.865 -4.713 18223
7235 1 16 . 1 1 77 77 THR C C 68 175.830 175.830 176.528 -0.698 18223
7236 1 16 . 1 1 77 77 THR CA C 68 64.159 64.159 67.620 -3.461 18223
7237 1 16 . 1 1 77 77 THR CB C 68 69.711 69.711 68.718 0.993 18223
7238 1 16 . 1 1 77 77 THR H H 68 7.951 7.951 7.898 0.053 18223
7239 1 16 . 1 1 78 78 SER N N 69 117.883 117.883 115.275 2.608 18223
7240 1 16 . 1 1 78 78 SER C C 69 176.000 176.000 177.034 -1.034 18223
7241 1 16 . 1 1 78 78 SER CA C 69 60.730 60.730 61.255 -0.525 18223
7242 1 16 . 1 1 78 78 SER H H 69 7.839 7.839 8.189 -0.350 18223
7243 1 16 . 1 1 79 79 GLY N N 70 111.078 111.078 111.273 -0.195 18223
7244 1 16 . 1 1 79 79 GLY C C 70 175.830 175.830 175.591 0.239 18223
7245 1 16 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.702 -0.992 18223
7246 1 16 . 1 1 79 79 GLY H H 70 8.269 8.269 8.149 0.120 18223
7247 1 16 . 1 1 80 80 THR N N 71 117.727 117.727 115.654 2.073 18223
7248 1 16 . 1 1 80 80 THR C C 71 176.110 176.110 176.528 -0.418 18223
7249 1 16 . 1 1 80 80 THR CA C 71 66.178 66.178 64.750 1.428 18223
7250 1 16 . 1 1 80 80 THR CB C 71 68.630 68.630 68.591 0.039 18223
7251 1 16 . 1 1 80 80 THR H H 71 7.823 7.823 7.861 -0.038 18223
7252 1 16 . 1 1 81 81 LEU N N 72 121.422 121.422 122.637 -1.215 18223
7253 1 16 . 1 1 81 81 LEU C C 72 178.620 178.620 178.301 0.319 18223
7254 1 16 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.455 -0.765 18223
7255 1 16 . 1 1 81 81 LEU H H 72 7.846 7.846 8.005 -0.159 18223
7256 1 16 . 1 1 82 82 ALA N N 73 121.160 121.160 118.493 2.667 18223
7257 1 16 . 1 1 82 82 ALA C C 73 180.440 180.440 179.919 0.521 18223
7258 1 16 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.022 1.158 18223
7259 1 16 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.440 -0.575 18223
7260 1 16 . 1 1 82 82 ALA H H 73 8.050 8.050 8.061 -0.011 18223
7261 1 16 . 1 1 83 83 GLY N N 74 106.017 106.017 108.946 -2.929 18223
7262 1 16 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.886 0.123 18223
7263 1 16 . 1 1 83 83 GLY H H 74 8.132 8.132 7.704 0.428 18223
7264 1 16 . 1 1 84 84 ILE N N 75 122.030 122.030 120.318 1.712 18223
7265 1 16 . 1 1 84 84 ILE C C 75 178.530 178.530 176.863 1.667 18223
7266 1 16 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.370 1.360 18223
7267 1 16 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.074 -0.307 18223
7268 1 16 . 1 1 84 84 ILE H H 75 7.930 7.930 7.990 -0.060 18223
7269 1 16 . 1 1 85 85 MET N N 76 117.920 117.920 117.988 -0.068 18223
7270 1 16 . 1 1 85 85 MET CA C 76 57.810 57.810 55.102 2.708 18223
7271 1 16 . 1 1 85 85 MET H H 76 8.140 8.140 7.514 0.625 18223
7272 1 16 . 1 1 86 86 GLY N N 77 109.118 109.118 106.833 2.285 18223
7273 1 16 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.683 1.088 18223
7274 1 16 . 1 1 86 86 GLY H H 77 7.920 7.920 8.279 -0.359 18223
7275 1 16 . 1 1 87 87 MET N N 78 119.220 119.220 119.296 -0.076 18223
7276 1 16 . 1 1 87 87 MET CA C 78 55.810 55.810 57.599 -1.790 18223
7277 1 16 . 1 1 87 87 MET H H 78 7.950 7.950 8.398 -0.448 18223
7278 1 16 . 1 1 88 88 ARG N N 79 120.090 120.090 116.939 3.151 18223
7279 1 16 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.298 -4.298 18223
7280 1 16 . 1 1 88 88 ARG H H 79 8.000 8.000 7.912 0.088 18223
7281 1 16 . 1 1 90 90 TYR C C 81 176.310 176.310 175.325 0.985 18223
7282 1 16 . 1 1 91 91 HIS N N 82 118.270 118.270 118.968 -0.698 18223
7283 1 16 . 1 1 91 91 HIS C C 82 174.940 174.940 173.857 1.083 18223
7284 1 16 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.021 -0.171 18223
7285 1 16 . 1 1 91 91 HIS H H 82 8.130 8.130 8.538 -0.408 18223
7286 1 16 . 1 1 92 92 SER N N 83 115.818 115.818 115.601 0.217 18223
7287 1 16 . 1 1 92 92 SER C C 83 175.470 175.470 174.359 1.111 18223
7288 1 16 . 1 1 92 92 SER CA C 83 59.430 59.430 58.328 1.103 18223
7289 1 16 . 1 1 92 92 SER CB C 83 63.870 63.870 63.011 0.859 18223
7290 1 16 . 1 1 92 92 SER H H 83 8.007 8.007 7.975 0.032 18223
7291 1 16 . 1 1 93 93 GLY N N 84 110.518 110.518 109.047 1.471 18223
7292 1 16 . 1 1 93 93 GLY C C 84 174.740 174.740 174.905 -0.165 18223
7293 1 16 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.972 -0.042 18223
7294 1 16 . 1 1 93 93 GLY H H 84 8.099 8.099 7.955 0.144 18223
7295 1 16 . 1 1 94 94 LYS N N 85 120.088 120.088 117.600 2.488 18223
7296 1 16 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.626 -0.183 18223
7297 1 16 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.097 -0.738 18223
7298 1 16 . 1 1 94 94 LYS H H 85 7.810 7.810 7.604 0.206 18223
7299 1 16 . 1 1 95 95 PHE N N 86 118.766 118.766 116.626 2.140 18223
7300 1 16 . 1 1 95 95 PHE CA C 86 57.810 57.810 56.731 1.079 18223
7301 1 16 . 1 1 95 95 PHE CB C 86 39.281 39.281 37.885 1.396 18223
7302 1 16 . 1 1 95 95 PHE H H 86 7.911 7.911 7.569 0.342 18223
7303 1 16 . 1 1 96 96 MET N N 87 120.600 120.600 119.019 1.581 18223
7304 1 16 . 1 1 96 96 MET CA C 87 53.150 53.150 55.609 -2.459 18223
7305 1 16 . 1 1 96 96 MET H H 87 7.670 7.670 7.930 -0.260 18223
7306 1 16 . 1 1 97 97 PRO C C 88 176.820 176.820 176.561 0.259 18223
7307 1 16 . 1 1 98 98 ALA N N 89 124.300 124.300 120.012 4.288 18223
7308 1 16 . 1 1 98 98 ALA C C 89 179.480 179.480 176.693 2.787 18223
7309 1 16 . 1 1 98 98 ALA CA C 89 53.390 53.390 51.792 1.598 18223
7310 1 16 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.243 -0.441 18223
7311 1 16 . 1 1 98 98 ALA H H 89 8.302 8.302 7.583 0.719 18223
7312 1 16 . 1 1 99 99 GLY N N 90 107.011 107.011 106.949 0.062 18223
7313 1 16 . 1 1 99 99 GLY C C 90 174.920 174.920 174.646 0.274 18223
7314 1 16 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.125 0.755 18223
7315 1 16 . 1 1 99 99 GLY H H 90 8.341 8.341 8.178 0.163 18223
7316 1 16 . 1 1 100 100 LEU N N 91 120.873 120.873 120.621 0.252 18223
7317 1 16 . 1 1 100 100 LEU C C 91 177.250 177.250 178.772 -1.522 18223
7318 1 16 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.384 -2.284 18223
7319 1 16 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.001 0.093 18223
7320 1 16 . 1 1 100 100 LEU H H 91 7.732 7.732 7.926 -0.194 18223
7321 1 16 . 1 1 101 101 ILE N N 92 118.245 118.245 118.515 -0.270 18223
7322 1 16 . 1 1 101 101 ILE C C 92 177.130 177.130 176.987 0.143 18223
7323 1 16 . 1 1 101 101 ILE CA C 92 60.914 60.914 63.981 -3.067 18223
7324 1 16 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.582 0.546 18223
7325 1 16 . 1 1 101 101 ILE H H 92 7.668 7.668 8.052 -0.384 18223
7326 1 16 . 1 1 102 102 ALA N N 93 127.523 127.523 122.632 4.891 18223
7327 1 16 . 1 1 102 102 ALA C C 93 179.370 179.370 179.572 -0.202 18223
7328 1 16 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.768 -2.930 18223
7329 1 16 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.545 1.474 18223
7330 1 16 . 1 1 102 102 ALA H H 93 8.110 8.110 8.348 -0.238 18223
7331 1 16 . 1 1 103 103 GLY N N 94 109.013 109.013 106.545 2.468 18223
7332 1 16 . 1 1 103 103 GLY C C 94 175.290 175.290 176.161 -0.871 18223
7333 1 16 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.803 -1.383 18223
7334 1 16 . 1 1 103 103 GLY H H 94 8.180 8.180 8.345 -0.165 18223
7335 1 16 . 1 1 104 104 ALA N N 95 123.130 123.130 124.453 -1.323 18223
7336 1 16 . 1 1 104 104 ALA C C 95 180.040 180.040 179.787 0.253 18223
7337 1 16 . 1 1 104 104 ALA H H 95 8.230 8.230 7.978 0.252 18223
7338 1 16 . 1 1 105 105 SER N N 96 114.606 114.606 114.396 0.210 18223
7339 1 16 . 1 1 105 105 SER C C 96 176.140 176.140 176.546 -0.406 18223
7340 1 16 . 1 1 105 105 SER H H 96 7.915 7.915 8.315 -0.400 18223
7341 1 16 . 1 1 106 106 LEU N N 97 122.651 122.651 122.654 -0.003 18223
7342 1 16 . 1 1 106 106 LEU C C 97 179.140 179.140 178.537 0.603 18223
7343 1 16 . 1 1 106 106 LEU H H 97 8.066 8.066 8.107 -0.041 18223
7344 1 16 . 1 1 108 108 MET N N 99 118.381 118.381 118.581 -0.200 18223
7345 1 16 . 1 1 108 108 MET C C 99 178.830 178.830 178.458 0.372 18223
7346 1 16 . 1 1 108 108 MET CA C 99 58.730 58.730 59.840 -1.110 18223
7347 1 16 . 1 1 108 108 MET H H 99 7.682 7.682 8.229 -0.547 18223
7348 1 16 . 1 1 109 109 VAL N N 100 118.713 118.713 119.648 -0.935 18223
7349 1 16 . 1 1 109 109 VAL C C 100 177.930 177.930 177.710 0.220 18223
7350 1 16 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.248 -0.018 18223
7351 1 16 . 1 1 109 109 VAL H H 100 7.821 7.821 8.188 -0.367 18223
7352 1 16 . 1 1 110 110 ALA N N 101 122.160 122.160 122.194 -0.034 18223
7353 1 16 . 1 1 110 110 ALA C C 101 180.470 180.470 179.611 0.859 18223
7354 1 16 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.604 -0.264 18223
7355 1 16 . 1 1 110 110 ALA H H 101 8.110 8.110 8.045 0.065 18223
7356 1 16 . 1 1 111 111 LYS N N 102 120.260 120.260 118.490 1.770 18223
7357 1 16 . 1 1 111 111 LYS C C 102 177.490 177.490 179.261 -1.771 18223
7358 1 16 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.277 -1.787 18223
7359 1 16 . 1 1 111 111 LYS H H 102 7.870 7.870 7.989 -0.119 18223
7360 1 16 . 1 1 112 112 VAL N N 103 120.410 120.410 118.188 2.222 18223
7361 1 16 . 1 1 112 112 VAL C C 103 176.240 176.240 178.384 -2.144 18223
7362 1 16 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.811 -0.091 18223
7363 1 16 . 1 1 112 112 VAL H H 103 7.990 7.990 8.029 -0.039 18223
7364 1 16 . 1 1 113 113 GLY N N 104 108.926 108.926 107.103 1.823 18223
7365 1 16 . 1 1 113 113 GLY C C 104 175.150 175.150 175.756 -0.606 18223
7366 1 16 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.648 1.002 18223
7367 1 16 . 1 1 113 113 GLY H H 104 8.477 8.477 7.916 0.561 18223
7368 1 16 . 1 1 114 114 VAL N N 105 119.350 119.350 121.203 -1.853 18223
7369 1 16 . 1 1 114 114 VAL C C 105 178.390 178.390 176.855 1.535 18223
7370 1 16 . 1 1 114 114 VAL CA C 105 66.140 66.140 64.886 1.254 18223
7371 1 16 . 1 1 114 114 VAL H H 105 8.310 8.310 8.126 0.184 18223
7372 1 16 . 1 1 115 115 SER N N 106 115.964 115.964 113.415 2.549 18223
7373 1 16 . 1 1 115 115 SER C C 106 177.250 177.250 172.993 4.257 18223
7374 1 16 . 1 1 115 115 SER CA C 106 61.130 61.130 58.456 2.675 18223
7375 1 16 . 1 1 115 115 SER H H 106 7.815 7.815 8.029 -0.214 18223
7376 1 16 . 1 1 116 116 MET N N 107 120.190 120.190 123.253 -3.063 18223
7377 1 16 . 1 1 116 116 MET C C 107 177.190 177.190 174.056 3.134 18223
7378 1 16 . 1 1 116 116 MET CA C 107 57.450 57.450 56.063 1.387 18223
7379 1 16 . 1 1 116 116 MET H H 107 7.820 7.820 8.271 -0.451 18223
7380 1 16 . 1 1 117 117 PHE N N 108 117.325 117.325 119.821 -2.496 18223
7381 1 16 . 1 1 117 117 PHE C C 108 175.740 175.740 173.652 2.088 18223
7382 1 16 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.711 0.159 18223
7383 1 16 . 1 1 117 117 PHE H H 108 7.735 7.735 8.607 -0.872 18223
7384 1 16 . 1 1 118 118 ASN N N 109 118.878 118.878 121.343 -2.465 18223
7385 1 16 . 1 1 118 118 ASN C C 109 174.830 174.830 174.393 0.437 18223
7386 1 16 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.507 -0.447 18223
7387 1 16 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.477 -0.412 18223
7388 1 16 . 1 1 118 118 ASN H H 109 7.907 7.907 8.190 -0.283 18223
7389 1 16 . 1 1 119 119 ARG N N 110 122.870 122.870 118.492 4.378 18223
7390 1 16 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.836 -0.686 18223
7391 1 16 . 1 1 119 119 ARG H H 110 7.894 7.894 7.902 -0.008 18223
7392 1 16 . 1 1 120 120 PRO C C 111 176.590 176.590 176.070 0.520 18223
7393 1 17 . 1 1 11 11 GLN C C 2 176.170 176.170 173.890 2.280 18223
7394 1 17 . 1 1 12 12 ASP N N 3 120.369 120.369 120.295 0.074 18223
7395 1 17 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.574 -0.424 18223
7396 1 17 . 1 1 12 12 ASP C C 3 176.980 176.980 174.772 2.208 18223
7397 1 17 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.397 1.440 18223
7398 1 17 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.563 -0.767 18223
7399 1 17 . 1 1 12 12 ASP H H 3 8.275 8.275 8.047 0.228 18223
7400 1 17 . 1 1 13 13 THR N N 4 114.220 114.220 116.959 -2.739 18223
7401 1 17 . 1 1 13 13 THR HA H 4 4.636 4.636 4.050 0.586 18223
7402 1 17 . 1 1 13 13 THR C C 4 175.530 175.530 174.916 0.614 18223
7403 1 17 . 1 1 13 13 THR CA C 4 62.790 62.790 62.492 0.298 18223
7404 1 17 . 1 1 13 13 THR CB C 4 69.134 69.134 69.228 -0.094 18223
7405 1 17 . 1 1 13 13 THR H H 4 7.990 7.990 8.383 -0.393 18223
7406 1 17 . 1 1 14 14 SER N N 5 117.664 117.664 118.065 -0.401 18223
7407 1 17 . 1 1 14 14 SER HA H 5 4.296 4.296 4.341 -0.045 18223
7408 1 17 . 1 1 14 14 SER C C 5 175.200 175.200 175.048 0.152 18223
7409 1 17 . 1 1 14 14 SER CA C 5 59.443 59.443 58.611 0.832 18223
7410 1 17 . 1 1 14 14 SER CB C 5 63.438 63.438 64.010 -0.572 18223
7411 1 17 . 1 1 14 14 SER H H 5 8.255 8.255 8.316 -0.061 18223
7412 1 17 . 1 1 15 15 SER N N 6 117.093 117.093 118.057 -0.964 18223
7413 1 17 . 1 1 15 15 SER HA H 6 4.317 4.317 4.305 0.012 18223
7414 1 17 . 1 1 15 15 SER C C 6 174.770 174.770 174.787 -0.017 18223
7415 1 17 . 1 1 15 15 SER CA C 6 58.737 58.737 59.051 -0.314 18223
7416 1 17 . 1 1 15 15 SER CB C 6 63.656 63.656 61.822 1.834 18223
7417 1 17 . 1 1 15 15 SER H H 6 8.050 8.050 8.758 -0.708 18223
7418 1 17 . 1 1 16 16 VAL N N 7 119.995 119.995 118.450 1.545 18223
7419 1 17 . 1 1 16 16 VAL C C 7 176.150 176.150 175.552 0.598 18223
7420 1 17 . 1 1 16 16 VAL CA C 7 62.743 62.743 65.207 -2.464 18223
7421 1 17 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.230 1.985 18223
7422 1 17 . 1 1 16 16 VAL H H 7 7.775 7.775 8.783 -1.008 18223
7423 1 17 . 1 1 17 17 VAL N N 8 121.090 121.090 118.644 2.446 18223
7424 1 17 . 1 1 17 17 VAL CA C 8 60.910 60.910 61.590 -0.680 18223
7425 1 17 . 1 1 17 17 VAL H H 8 7.730 7.730 8.071 -0.341 18223
7426 1 17 . 1 1 18 18 PRO C C 9 178.410 178.410 177.735 0.675 18223
7427 1 17 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.663 1.847 18223
7428 1 17 . 1 1 19 19 LEU N N 10 121.410 121.410 120.757 0.653 18223
7429 1 17 . 1 1 19 19 LEU C C 10 178.910 178.910 179.013 -0.103 18223
7430 1 17 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.121 -2.271 18223
7431 1 17 . 1 1 19 19 LEU CB C 10 41.445 41.445 40.889 0.556 18223
7432 1 17 . 1 1 19 19 LEU H H 10 7.930 7.930 8.492 -0.562 18223
7433 1 17 . 1 1 20 20 HIS N N 11 116.900 116.900 117.848 -0.948 18223
7434 1 17 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.371 0.260 18223
7435 1 17 . 1 1 20 20 HIS C C 11 174.990 174.990 178.061 -3.071 18223
7436 1 17 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.077 -3.077 18223
7437 1 17 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.700 -1.740 18223
7438 1 17 . 1 1 20 20 HIS H H 11 8.384 8.384 8.335 0.049 18223
7439 1 17 . 1 1 21 21 TRP C C 12 177.660 177.660 178.951 -1.291 18223
7440 1 17 . 1 1 22 22 PHE N N 13 119.238 119.238 119.465 -0.227 18223
7441 1 17 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.136 0.152 18223
7442 1 17 . 1 1 22 22 PHE C C 13 177.410 177.410 178.163 -0.753 18223
7443 1 17 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.572 -1.875 18223
7444 1 17 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.528 -0.184 18223
7445 1 17 . 1 1 22 22 PHE H H 13 7.883 7.883 8.919 -1.036 18223
7446 1 17 . 1 1 23 23 GLY N N 14 107.209 107.209 106.194 1.015 18223
7447 1 17 . 1 1 23 23 GLY C C 14 176.220 176.220 176.255 -0.035 18223
7448 1 17 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.386 -0.306 18223
7449 1 17 . 1 1 23 23 GLY H H 14 7.911 7.911 8.691 -0.780 18223
7450 1 17 . 1 1 24 24 PHE N N 15 121.880 121.880 122.592 -0.712 18223
7451 1 17 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.421 -0.008 18223
7452 1 17 . 1 1 24 24 PHE C C 15 177.840 177.840 178.281 -0.441 18223
7453 1 17 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.267 -1.177 18223
7454 1 17 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.104 -0.255 18223
7455 1 17 . 1 1 24 24 PHE H H 15 7.900 7.900 8.477 -0.577 18223
7456 1 17 . 1 1 25 25 GLY N N 16 107.640 107.640 108.305 -0.665 18223
7457 1 17 . 1 1 25 25 GLY C C 16 174.910 174.910 175.828 -0.918 18223
7458 1 17 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.257 0.073 18223
7459 1 17 . 1 1 25 25 GLY H H 16 8.320 8.320 8.870 -0.550 18223
7460 1 17 . 1 1 26 26 TYR N N 17 121.804 121.804 123.238 -1.434 18223
7461 1 17 . 1 1 26 26 TYR C C 17 177.120 177.120 177.385 -0.265 18223
7462 1 17 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.478 0.192 18223
7463 1 17 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.459 -0.057 18223
7464 1 17 . 1 1 26 26 TYR H H 17 8.365 8.365 8.260 0.105 18223
7465 1 17 . 1 1 27 27 ALA N N 18 120.785 120.785 120.558 0.227 18223
7466 1 17 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.923 -0.040 18223
7467 1 17 . 1 1 27 27 ALA C C 18 178.790 178.790 179.235 -0.445 18223
7468 1 17 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.205 -0.164 18223
7469 1 17 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.923 -0.202 18223
7470 1 17 . 1 1 27 27 ALA H H 18 7.949 7.949 8.316 -0.367 18223
7471 1 17 . 1 1 28 28 ALA N N 19 120.210 120.210 120.562 -0.352 18223
7472 1 17 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.573 0.277 18223
7473 1 17 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.362 -0.641 18223
7474 1 17 . 1 1 28 28 ALA H H 19 7.870 7.870 7.974 -0.104 18223
7475 1 17 . 1 1 29 29 LEU N N 20 120.090 120.090 120.531 -0.441 18223
7476 1 17 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.096 -6.096 18223
7477 1 17 . 1 1 29 29 LEU H H 20 8.000 8.000 7.801 0.199 18223
7478 1 17 . 1 1 30 30 VAL N N 21 118.299 118.299 119.318 -1.019 18223
7479 1 17 . 1 1 30 30 VAL C C 21 178.920 178.920 177.813 1.107 18223
7480 1 17 . 1 1 30 30 VAL CA C 21 65.620 65.620 67.522 -1.902 18223
7481 1 17 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.429 -0.152 18223
7482 1 17 . 1 1 30 30 VAL H H 21 7.947 7.947 7.942 0.005 18223
7483 1 17 . 1 1 31 31 ALA N N 22 122.600 122.600 120.973 1.627 18223
7484 1 17 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.906 0.267 18223
7485 1 17 . 1 1 31 31 ALA C C 22 179.540 179.540 179.407 0.133 18223
7486 1 17 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.343 -1.135 18223
7487 1 17 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.966 0.476 18223
7488 1 17 . 1 1 31 31 ALA H H 22 7.819 7.819 8.100 -0.281 18223
7489 1 17 . 1 1 32 32 SER N N 23 113.502 113.502 114.888 -1.386 18223
7490 1 17 . 1 1 32 32 SER HA H 23 4.015 4.015 3.945 0.070 18223
7491 1 17 . 1 1 32 32 SER C C 23 175.890 175.890 177.009 -1.119 18223
7492 1 17 . 1 1 32 32 SER CA C 23 60.490 60.490 61.701 -1.211 18223
7493 1 17 . 1 1 32 32 SER CB C 23 63.510 63.510 62.983 0.527 18223
7494 1 17 . 1 1 32 32 SER H H 23 7.826 7.826 8.323 -0.497 18223
7495 1 17 . 1 1 33 33 GLY N N 24 109.939 109.939 108.559 1.380 18223
7496 1 17 . 1 1 33 33 GLY C C 24 176.180 176.180 175.402 0.778 18223
7497 1 17 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.873 -0.223 18223
7498 1 17 . 1 1 33 33 GLY H H 24 7.985 7.985 8.222 -0.237 18223
7499 1 17 . 1 1 34 34 GLY N N 25 109.396 109.396 110.094 -0.698 18223
7500 1 17 . 1 1 34 34 GLY C C 25 175.330 175.330 176.000 -0.670 18223
7501 1 17 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.550 -0.380 18223
7502 1 17 . 1 1 34 34 GLY H H 25 8.235 8.235 7.836 0.399 18223
7503 1 17 . 1 1 35 35 ILE N N 26 120.211 120.211 123.712 -3.501 18223
7504 1 17 . 1 1 35 35 ILE C C 26 177.400 177.400 178.186 -0.786 18223
7505 1 17 . 1 1 35 35 ILE CA C 26 63.830 63.830 65.575 -1.745 18223
7506 1 17 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.158 -0.319 18223
7507 1 17 . 1 1 35 35 ILE H H 26 7.998 7.998 8.062 -0.064 18223
7508 1 17 . 1 1 36 36 ILE N N 27 120.051 120.051 117.921 2.130 18223
7509 1 17 . 1 1 36 36 ILE C C 27 177.900 177.900 177.342 0.558 18223
7510 1 17 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.395 -0.545 18223
7511 1 17 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.879 -0.049 18223
7512 1 17 . 1 1 36 36 ILE H H 27 7.998 7.998 8.444 -0.446 18223
7513 1 17 . 1 1 37 37 GLY N N 28 107.531 107.531 108.377 -0.846 18223
7514 1 17 . 1 1 37 37 GLY C C 28 176.120 176.120 176.290 -0.170 18223
7515 1 17 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.600 0.200 18223
7516 1 17 . 1 1 37 37 GLY H H 28 7.983 7.983 7.349 0.634 18223
7517 1 17 . 1 1 38 38 TYR N N 29 120.900 120.900 121.295 -0.395 18223
7518 1 17 . 1 1 38 38 TYR C C 29 176.530 176.530 177.884 -1.354 18223
7519 1 17 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.092 -0.361 18223
7520 1 17 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.410 0.078 18223
7521 1 17 . 1 1 38 38 TYR H H 29 7.726 7.726 8.050 -0.324 18223
7522 1 17 . 1 1 39 39 VAL N N 30 117.958 117.958 114.933 3.025 18223
7523 1 17 . 1 1 39 39 VAL C C 30 177.600 177.600 176.851 0.749 18223
7524 1 17 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.186 0.189 18223
7525 1 17 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.515 -1.094 18223
7526 1 17 . 1 1 39 39 VAL H H 30 7.849 7.849 8.408 -0.559 18223
7527 1 17 . 1 1 40 40 LYS N N 31 120.116 120.116 116.982 3.134 18223
7528 1 17 . 1 1 40 40 LYS C C 31 177.090 177.090 174.608 2.482 18223
7529 1 17 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.004 -0.234 18223
7530 1 17 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.673 0.542 18223
7531 1 17 . 1 1 40 40 LYS H H 31 8.072 8.072 7.616 0.456 18223
7532 1 17 . 1 1 41 41 ALA N N 32 122.082 122.082 120.933 1.149 18223
7533 1 17 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.391 -0.150 18223
7534 1 17 . 1 1 41 41 ALA C C 32 178.780 178.780 176.216 2.564 18223
7535 1 17 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.073 1.187 18223
7536 1 17 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.135 -1.405 18223
7537 1 17 . 1 1 41 41 ALA H H 32 7.786 7.786 7.606 0.180 18223
7538 1 17 . 1 1 42 42 GLY N N 33 106.746 106.746 109.537 -2.791 18223
7539 1 17 . 1 1 42 42 GLY C C 33 174.790 174.790 174.234 0.556 18223
7540 1 17 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.765 1.055 18223
7541 1 17 . 1 1 42 42 GLY H H 33 7.964 7.964 8.356 -0.392 18223
7542 1 17 . 1 1 43 43 SER N N 34 115.541 115.541 117.934 -2.393 18223
7543 1 17 . 1 1 43 43 SER HA H 34 4.491 4.491 4.564 -0.073 18223
7544 1 17 . 1 1 43 43 SER C C 34 174.920 174.920 175.998 -1.078 18223
7545 1 17 . 1 1 43 43 SER CA C 34 58.730 58.730 58.519 0.211 18223
7546 1 17 . 1 1 43 43 SER CB C 34 63.798 63.798 63.881 -0.083 18223
7547 1 17 . 1 1 43 43 SER H H 34 8.049 8.049 8.060 -0.011 18223
7548 1 17 . 1 1 44 44 VAL N N 35 121.887 121.887 124.144 -2.257 18223
7549 1 17 . 1 1 44 44 VAL CA C 35 65.330 65.330 65.462 -0.132 18223
7550 1 17 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.445 -1.115 18223
7551 1 17 . 1 1 44 44 VAL H H 35 8.332 8.332 8.731 -0.399 18223
7552 1 17 . 1 1 46 46 SER N N 37 113.762 113.762 115.321 -1.559 18223
7553 1 17 . 1 1 46 46 SER CA C 37 61.130 61.130 61.756 -0.626 18223
7554 1 17 . 1 1 46 46 SER CB C 37 62.789 62.789 62.543 0.246 18223
7555 1 17 . 1 1 46 46 SER H H 37 7.924 7.924 8.174 -0.250 18223
7556 1 17 . 1 1 47 47 LEU N N 38 124.450 124.450 122.131 2.319 18223
7557 1 17 . 1 1 47 47 LEU C C 38 176.440 176.440 178.216 -1.776 18223
7558 1 17 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.033 -0.673 18223
7559 1 17 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.855 -0.049 18223
7560 1 17 . 1 1 47 47 LEU H H 38 8.108 8.108 7.760 0.348 18223
7561 1 17 . 1 1 48 48 ALA N N 39 121.290 121.290 120.525 0.765 18223
7562 1 17 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.053 -0.443 18223
7563 1 17 . 1 1 48 48 ALA H H 39 8.250 8.250 7.804 0.446 18223
7564 1 17 . 1 1 49 49 ALA N N 40 120.070 120.070 119.514 0.556 18223
7565 1 17 . 1 1 49 49 ALA C C 40 179.910 179.910 179.712 0.198 18223
7566 1 17 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.874 0.236 18223
7567 1 17 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.323 -0.242 18223
7568 1 17 . 1 1 49 49 ALA H H 40 8.145 8.145 8.269 -0.124 18223
7569 1 17 . 1 1 50 50 GLY N N 41 104.977 104.977 107.746 -2.769 18223
7570 1 17 . 1 1 50 50 GLY C C 41 174.870 174.870 175.871 -1.001 18223
7571 1 17 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.694 0.231 18223
7572 1 17 . 1 1 50 50 GLY H H 41 8.103 8.103 7.891 0.212 18223
7573 1 17 . 1 1 51 51 LEU N N 42 122.431 122.431 122.357 0.074 18223
7574 1 17 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.510 -0.180 18223
7575 1 17 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.119 -0.314 18223
7576 1 17 . 1 1 51 51 LEU H H 42 7.796 7.796 7.944 -0.148 18223
7577 1 17 . 1 1 52 52 LEU N N 43 119.483 119.483 120.046 -0.563 18223
7578 1 17 . 1 1 52 52 LEU C C 43 179.910 179.910 179.457 0.453 18223
7579 1 17 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.789 -1.019 18223
7580 1 17 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.906 -0.534 18223
7581 1 17 . 1 1 52 52 LEU H H 43 7.862 7.862 8.055 -0.193 18223
7582 1 17 . 1 1 53 53 PHE N N 44 117.117 117.117 118.319 -1.202 18223
7583 1 17 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.181 0.190 18223
7584 1 17 . 1 1 53 53 PHE C C 44 178.530 178.530 177.539 0.991 18223
7585 1 17 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.438 -1.288 18223
7586 1 17 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.712 -0.584 18223
7587 1 17 . 1 1 53 53 PHE H H 44 8.343 8.343 8.386 -0.043 18223
7588 1 17 . 1 1 54 54 GLY N N 45 107.605 107.605 107.645 -0.040 18223
7589 1 17 . 1 1 54 54 GLY C C 45 176.400 176.400 175.674 0.726 18223
7590 1 17 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.663 -0.913 18223
7591 1 17 . 1 1 54 54 GLY H H 45 8.150 8.150 8.097 0.053 18223
7592 1 17 . 1 1 55 55 SER N N 46 117.713 117.713 117.490 0.223 18223
7593 1 17 . 1 1 55 55 SER C C 46 176.130 176.130 176.595 -0.465 18223
7594 1 17 . 1 1 55 55 SER CA C 46 61.240 61.240 60.841 0.399 18223
7595 1 17 . 1 1 55 55 SER CB C 46 63.294 63.294 62.565 0.729 18223
7596 1 17 . 1 1 55 55 SER H H 46 7.942 7.942 7.998 -0.056 18223
7597 1 17 . 1 1 56 56 LEU N N 47 121.618 121.618 123.395 -1.777 18223
7598 1 17 . 1 1 56 56 LEU C C 47 178.510 178.510 177.693 0.817 18223
7599 1 17 . 1 1 56 56 LEU CA C 47 56.760 56.760 58.380 -1.620 18223
7600 1 17 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.548 -0.392 18223
7601 1 17 . 1 1 56 56 LEU H H 47 7.910 7.910 7.820 0.090 18223
7602 1 17 . 1 1 57 57 ALA N N 48 121.557 121.557 119.856 1.701 18223
7603 1 17 . 1 1 57 57 ALA C C 48 180.040 180.040 180.300 -0.260 18223
7604 1 17 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.521 0.029 18223
7605 1 17 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.215 -0.134 18223
7606 1 17 . 1 1 57 57 ALA H H 48 7.878 7.878 7.860 0.018 18223
7607 1 17 . 1 1 58 58 GLY N N 49 106.435 106.435 107.154 -0.719 18223
7608 1 17 . 1 1 58 58 GLY C C 49 175.740 175.740 175.997 -0.257 18223
7609 1 17 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.894 -0.614 18223
7610 1 17 . 1 1 58 58 GLY H H 49 8.085 8.085 8.119 -0.034 18223
7611 1 17 . 1 1 59 59 LEU N N 50 121.230 121.230 122.687 -1.457 18223
7612 1 17 . 1 1 59 59 LEU C C 50 178.390 178.390 179.260 -0.870 18223
7613 1 17 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.240 -1.810 18223
7614 1 17 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.667 -0.006 18223
7615 1 17 . 1 1 59 59 LEU H H 50 7.770 7.770 7.758 0.012 18223
7616 1 17 . 1 1 60 60 GLY N N 51 106.525 106.525 106.243 0.282 18223
7617 1 17 . 1 1 60 60 GLY C C 51 174.820 174.820 175.549 -0.729 18223
7618 1 17 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.772 -0.482 18223
7619 1 17 . 1 1 60 60 GLY H H 51 8.090 8.090 7.863 0.227 18223
7620 1 17 . 1 1 61 61 ALA N N 52 122.773 122.773 126.000 -3.227 18223
7621 1 17 . 1 1 61 61 ALA HA H 52 4.102 4.102 3.775 0.327 18223
7622 1 17 . 1 1 61 61 ALA C C 52 178.320 178.320 177.541 0.779 18223
7623 1 17 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.773 -0.353 18223
7624 1 17 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.387 0.055 18223
7625 1 17 . 1 1 61 61 ALA H H 52 7.819 7.819 7.984 -0.165 18223
7626 1 17 . 1 1 62 62 TYR N N 53 118.481 118.481 115.315 3.166 18223
7627 1 17 . 1 1 62 62 TYR C C 53 176.390 176.390 174.906 1.484 18223
7628 1 17 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.356 2.644 18223
7629 1 17 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.513 0.831 18223
7630 1 17 . 1 1 62 62 TYR H H 53 7.794 7.794 7.770 0.024 18223
7631 1 17 . 1 1 63 63 GLN N N 54 120.770 120.770 119.727 1.043 18223
7632 1 17 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.344 0.216 18223
7633 1 17 . 1 1 63 63 GLN CB C 54 28.648 28.648 32.007 -3.359 18223
7634 1 17 . 1 1 63 63 GLN H H 54 8.033 8.033 8.512 -0.479 18223
7635 1 17 . 1 1 64 64 LEU N N 55 121.847 121.847 118.979 2.868 18223
7636 1 17 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.473 -0.303 18223
7637 1 17 . 1 1 64 64 LEU C C 55 177.790 177.790 175.087 2.703 18223
7638 1 17 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.680 0.330 18223
7639 1 17 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.136 -1.331 18223
7640 1 17 . 1 1 64 64 LEU H H 55 8.018 8.018 7.903 0.115 18223
7641 1 17 . 1 1 65 65 SER N N 56 113.937 113.937 116.666 -2.729 18223
7642 1 17 . 1 1 65 65 SER C C 56 174.710 174.710 172.879 1.831 18223
7643 1 17 . 1 1 65 65 SER CA C 56 59.050 59.050 58.516 0.534 18223
7644 1 17 . 1 1 65 65 SER CB C 56 63.554 63.554 63.867 -0.313 18223
7645 1 17 . 1 1 65 65 SER H H 56 7.892 7.892 8.155 -0.263 18223
7646 1 17 . 1 1 66 66 GLN N N 57 120.154 120.154 119.722 0.432 18223
7647 1 17 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.284 -0.041 18223
7648 1 17 . 1 1 66 66 GLN C C 57 175.760 175.760 173.816 1.944 18223
7649 1 17 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.259 -0.609 18223
7650 1 17 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.957 -0.409 18223
7651 1 17 . 1 1 66 66 GLN H H 57 7.625 7.625 7.839 -0.214 18223
7652 1 17 . 1 1 67 67 ASP N N 58 120.090 120.090 124.434 -4.344 18223
7653 1 17 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.832 -2.832 18223
7654 1 17 . 1 1 67 67 ASP H H 58 8.000 8.000 8.521 -0.521 18223
7655 1 17 . 1 1 68 68 PRO C C 59 177.890 177.890 178.480 -0.590 18223
7656 1 17 . 1 1 69 69 ARG N N 60 117.806 117.806 119.704 -1.898 18223
7657 1 17 . 1 1 69 69 ARG C C 60 178.330 178.330 178.559 -0.229 18223
7658 1 17 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.799 -1.904 18223
7659 1 17 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.644 -0.442 18223
7660 1 17 . 1 1 69 69 ARG H H 60 8.402 8.402 8.518 -0.116 18223
7661 1 17 . 1 1 70 70 ASN N N 61 116.920 116.920 115.756 1.164 18223
7662 1 17 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.473 -1.173 18223
7663 1 17 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.674 0.393 18223
7664 1 17 . 1 1 70 70 ASN H H 61 7.930 7.930 8.356 -0.426 18223
7665 1 17 . 1 1 71 71 VAL N N 62 120.795 120.795 121.869 -1.074 18223
7666 1 17 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.523 -0.596 18223
7667 1 17 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.642 -0.648 18223
7668 1 17 . 1 1 71 71 VAL H H 62 7.783 7.783 7.644 0.139 18223
7669 1 17 . 1 1 72 72 TRP N N 63 120.550 120.550 120.164 0.386 18223
7670 1 17 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.251 0.166 18223
7671 1 17 . 1 1 72 72 TRP C C 63 177.850 177.850 178.744 -0.894 18223
7672 1 17 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.231 -1.101 18223
7673 1 17 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.720 -0.407 18223
7674 1 17 . 1 1 72 72 TRP H H 63 7.760 7.760 8.479 -0.719 18223
7675 1 17 . 1 1 73 73 VAL N N 64 117.896 117.896 118.008 -0.112 18223
7676 1 17 . 1 1 73 73 VAL C C 64 179.270 179.270 178.142 1.128 18223
7677 1 17 . 1 1 73 73 VAL CA C 64 66.530 66.530 67.079 -0.549 18223
7678 1 17 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.342 -0.034 18223
7679 1 17 . 1 1 73 73 VAL H H 64 7.905 7.905 8.279 -0.374 18223
7680 1 17 . 1 1 74 74 PHE N N 65 122.086 122.086 119.025 3.061 18223
7681 1 17 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.259 -0.034 18223
7682 1 17 . 1 1 74 74 PHE C C 65 177.760 177.760 177.542 0.218 18223
7683 1 17 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.410 -1.119 18223
7684 1 17 . 1 1 74 74 PHE CB C 65 38.560 38.560 39.082 -0.522 18223
7685 1 17 . 1 1 74 74 PHE H H 65 7.857 7.857 8.161 -0.304 18223
7686 1 17 . 1 1 75 75 LEU N N 66 121.304 121.304 121.554 -0.250 18223
7687 1 17 . 1 1 75 75 LEU C C 66 179.060 179.060 179.164 -0.104 18223
7688 1 17 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.199 -0.399 18223
7689 1 17 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.659 -0.359 18223
7690 1 17 . 1 1 75 75 LEU H H 66 8.326 8.326 8.257 0.069 18223
7691 1 17 . 1 1 76 76 ALA N N 67 120.420 120.420 120.794 -0.374 18223
7692 1 17 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.992 0.404 18223
7693 1 17 . 1 1 76 76 ALA C C 67 180.180 180.180 179.403 0.777 18223
7694 1 17 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.420 -0.830 18223
7695 1 17 . 1 1 76 76 ALA H H 67 8.283 8.283 8.306 -0.023 18223
7696 1 17 . 1 1 77 77 THR N N 68 111.152 111.152 115.976 -4.824 18223
7697 1 17 . 1 1 77 77 THR C C 68 175.830 175.830 176.651 -0.821 18223
7698 1 17 . 1 1 77 77 THR CA C 68 64.159 64.159 67.355 -3.196 18223
7699 1 17 . 1 1 77 77 THR CB C 68 69.711 69.711 68.768 0.943 18223
7700 1 17 . 1 1 77 77 THR H H 68 7.951 7.951 8.139 -0.188 18223
7701 1 17 . 1 1 78 78 SER N N 69 117.883 117.883 116.384 1.499 18223
7702 1 17 . 1 1 78 78 SER C C 69 176.000 176.000 176.936 -0.936 18223
7703 1 17 . 1 1 78 78 SER CA C 69 60.730 60.730 61.423 -0.693 18223
7704 1 17 . 1 1 78 78 SER H H 69 7.839 7.839 8.170 -0.331 18223
7705 1 17 . 1 1 79 79 GLY N N 70 111.078 111.078 111.030 0.048 18223
7706 1 17 . 1 1 79 79 GLY C C 70 175.830 175.830 175.973 -0.143 18223
7707 1 17 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.541 -0.831 18223
7708 1 17 . 1 1 79 79 GLY H H 70 8.269 8.269 8.273 -0.004 18223
7709 1 17 . 1 1 80 80 THR N N 71 117.727 117.727 116.774 0.953 18223
7710 1 17 . 1 1 80 80 THR C C 71 176.110 176.110 176.567 -0.457 18223
7711 1 17 . 1 1 80 80 THR CA C 71 66.178 66.178 65.719 0.459 18223
7712 1 17 . 1 1 80 80 THR CB C 71 68.630 68.630 68.995 -0.365 18223
7713 1 17 . 1 1 80 80 THR H H 71 7.823 7.823 7.981 -0.158 18223
7714 1 17 . 1 1 81 81 LEU N N 72 121.422 121.422 122.073 -0.651 18223
7715 1 17 . 1 1 81 81 LEU C C 72 178.620 178.620 178.501 0.119 18223
7716 1 17 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.251 -0.561 18223
7717 1 17 . 1 1 81 81 LEU H H 72 7.846 7.846 8.134 -0.288 18223
7718 1 17 . 1 1 82 82 ALA N N 73 121.160 121.160 120.814 0.346 18223
7719 1 17 . 1 1 82 82 ALA C C 73 180.440 180.440 179.043 1.397 18223
7720 1 17 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.429 0.751 18223
7721 1 17 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.671 -0.806 18223
7722 1 17 . 1 1 82 82 ALA H H 73 8.050 8.050 8.309 -0.259 18223
7723 1 17 . 1 1 83 83 GLY N N 74 106.017 106.017 106.651 -0.634 18223
7724 1 17 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.528 0.482 18223
7725 1 17 . 1 1 83 83 GLY H H 74 8.132 8.132 7.815 0.317 18223
7726 1 17 . 1 1 84 84 ILE N N 75 122.030 122.030 120.469 1.561 18223
7727 1 17 . 1 1 84 84 ILE C C 75 178.530 178.530 176.592 1.938 18223
7728 1 17 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.091 1.639 18223
7729 1 17 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.116 -0.349 18223
7730 1 17 . 1 1 84 84 ILE H H 75 7.930 7.930 7.944 -0.014 18223
7731 1 17 . 1 1 85 85 MET N N 76 117.920 117.920 114.527 3.393 18223
7732 1 17 . 1 1 85 85 MET CA C 76 57.810 57.810 54.560 3.250 18223
7733 1 17 . 1 1 85 85 MET H H 76 8.140 8.140 7.907 0.233 18223
7734 1 17 . 1 1 86 86 GLY N N 77 109.118 109.118 107.860 1.258 18223
7735 1 17 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.373 1.399 18223
7736 1 17 . 1 1 86 86 GLY H H 77 7.920 7.920 8.358 -0.438 18223
7737 1 17 . 1 1 87 87 MET N N 78 119.220 119.220 116.821 2.399 18223
7738 1 17 . 1 1 87 87 MET CA C 78 55.810 55.810 55.629 0.181 18223
7739 1 17 . 1 1 87 87 MET H H 78 7.950 7.950 7.973 -0.023 18223
7740 1 17 . 1 1 88 88 ARG N N 79 120.090 120.090 120.781 -0.691 18223
7741 1 17 . 1 1 88 88 ARG CA C 79 52.000 52.000 58.525 -6.525 18223
7742 1 17 . 1 1 88 88 ARG H H 79 8.000 8.000 8.688 -0.688 18223
7743 1 17 . 1 1 90 90 TYR C C 81 176.310 176.310 174.628 1.682 18223
7744 1 17 . 1 1 91 91 HIS N N 82 118.270 118.270 117.207 1.063 18223
7745 1 17 . 1 1 91 91 HIS C C 82 174.940 174.940 173.991 0.949 18223
7746 1 17 . 1 1 91 91 HIS CA C 82 55.850 55.850 55.460 0.390 18223
7747 1 17 . 1 1 91 91 HIS H H 82 8.130 8.130 8.494 -0.364 18223
7748 1 17 . 1 1 92 92 SER N N 83 115.818 115.818 113.941 1.877 18223
7749 1 17 . 1 1 92 92 SER C C 83 175.470 175.470 173.955 1.515 18223
7750 1 17 . 1 1 92 92 SER CA C 83 59.430 59.430 57.865 1.565 18223
7751 1 17 . 1 1 92 92 SER CB C 83 63.870 63.870 64.252 -0.382 18223
7752 1 17 . 1 1 92 92 SER H H 83 8.007 8.007 8.777 -0.770 18223
7753 1 17 . 1 1 93 93 GLY N N 84 110.518 110.518 110.969 -0.451 18223
7754 1 17 . 1 1 93 93 GLY C C 84 174.740 174.740 173.383 1.357 18223
7755 1 17 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.182 0.748 18223
7756 1 17 . 1 1 93 93 GLY H H 84 8.099 8.099 8.288 -0.189 18223
7757 1 17 . 1 1 94 94 LYS N N 85 120.088 120.088 121.680 -1.592 18223
7758 1 17 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.024 0.419 18223
7759 1 17 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.519 -0.160 18223
7760 1 17 . 1 1 94 94 LYS H H 85 7.810 7.810 8.286 -0.476 18223
7761 1 17 . 1 1 95 95 PHE N N 86 118.766 118.766 118.772 -0.006 18223
7762 1 17 . 1 1 95 95 PHE CA C 86 57.810 57.810 59.183 -1.373 18223
7763 1 17 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.335 0.946 18223
7764 1 17 . 1 1 95 95 PHE H H 86 7.911 7.911 8.445 -0.534 18223
7765 1 17 . 1 1 96 96 MET N N 87 120.600 120.600 116.895 3.705 18223
7766 1 17 . 1 1 96 96 MET CA C 87 53.150 53.150 56.045 -2.895 18223
7767 1 17 . 1 1 96 96 MET H H 87 7.670 7.670 8.015 -0.345 18223
7768 1 17 . 1 1 97 97 PRO C C 88 176.820 176.820 175.314 1.506 18223
7769 1 17 . 1 1 98 98 ALA N N 89 124.300 124.300 124.380 -0.080 18223
7770 1 17 . 1 1 98 98 ALA C C 89 179.480 179.480 177.624 1.856 18223
7771 1 17 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.769 0.621 18223
7772 1 17 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.978 -1.176 18223
7773 1 17 . 1 1 98 98 ALA H H 89 8.302 8.302 8.250 0.052 18223
7774 1 17 . 1 1 99 99 GLY N N 90 107.011 107.011 107.763 -0.752 18223
7775 1 17 . 1 1 99 99 GLY C C 90 174.920 174.920 175.336 -0.416 18223
7776 1 17 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.632 0.248 18223
7777 1 17 . 1 1 99 99 GLY H H 90 8.341 8.341 7.658 0.683 18223
7778 1 17 . 1 1 100 100 LEU N N 91 120.873 120.873 126.740 -5.867 18223
7779 1 17 . 1 1 100 100 LEU C C 91 177.250 177.250 178.893 -1.643 18223
7780 1 17 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.880 -1.780 18223
7781 1 17 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.396 -0.302 18223
7782 1 17 . 1 1 100 100 LEU H H 91 7.732 7.732 8.602 -0.870 18223
7783 1 17 . 1 1 101 101 ILE N N 92 118.245 118.245 120.010 -1.765 18223
7784 1 17 . 1 1 101 101 ILE C C 92 177.130 177.130 176.676 0.454 18223
7785 1 17 . 1 1 101 101 ILE CA C 92 60.914 60.914 65.200 -4.286 18223
7786 1 17 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.766 0.362 18223
7787 1 17 . 1 1 101 101 ILE H H 92 7.668 7.668 8.018 -0.350 18223
7788 1 17 . 1 1 102 102 ALA N N 93 127.523 127.523 121.393 6.130 18223
7789 1 17 . 1 1 102 102 ALA C C 93 179.370 179.370 179.668 -0.298 18223
7790 1 17 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.308 -2.470 18223
7791 1 17 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.769 1.250 18223
7792 1 17 . 1 1 102 102 ALA H H 93 8.110 8.110 8.292 -0.182 18223
7793 1 17 . 1 1 103 103 GLY N N 94 109.013 109.013 106.669 2.344 18223
7794 1 17 . 1 1 103 103 GLY C C 94 175.290 175.290 175.835 -0.545 18223
7795 1 17 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.906 -1.486 18223
7796 1 17 . 1 1 103 103 GLY H H 94 8.180 8.180 8.059 0.121 18223
7797 1 17 . 1 1 104 104 ALA N N 95 123.130 123.130 124.214 -1.084 18223
7798 1 17 . 1 1 104 104 ALA C C 95 180.040 180.040 179.599 0.441 18223
7799 1 17 . 1 1 104 104 ALA H H 95 8.230 8.230 8.236 -0.006 18223
7800 1 17 . 1 1 105 105 SER N N 96 114.606 114.606 114.694 -0.088 18223
7801 1 17 . 1 1 105 105 SER C C 96 176.140 176.140 176.951 -0.811 18223
7802 1 17 . 1 1 105 105 SER H H 96 7.915 7.915 8.266 -0.351 18223
7803 1 17 . 1 1 106 106 LEU N N 97 122.651 122.651 123.111 -0.460 18223
7804 1 17 . 1 1 106 106 LEU C C 97 179.140 179.140 178.141 0.999 18223
7805 1 17 . 1 1 106 106 LEU H H 97 8.066 8.066 7.956 0.110 18223
7806 1 17 . 1 1 108 108 MET N N 99 118.381 118.381 118.554 -0.173 18223
7807 1 17 . 1 1 108 108 MET C C 99 178.830 178.830 178.488 0.342 18223
7808 1 17 . 1 1 108 108 MET CA C 99 58.730 58.730 59.688 -0.959 18223
7809 1 17 . 1 1 108 108 MET H H 99 7.682 7.682 8.394 -0.712 18223
7810 1 17 . 1 1 109 109 VAL N N 100 118.713 118.713 119.071 -0.358 18223
7811 1 17 . 1 1 109 109 VAL C C 100 177.930 177.930 177.237 0.693 18223
7812 1 17 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.936 -0.706 18223
7813 1 17 . 1 1 109 109 VAL H H 100 7.821 7.821 7.918 -0.097 18223
7814 1 17 . 1 1 110 110 ALA N N 101 122.160 122.160 122.051 0.109 18223
7815 1 17 . 1 1 110 110 ALA C C 101 180.470 180.470 179.603 0.867 18223
7816 1 17 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.493 -0.153 18223
7817 1 17 . 1 1 110 110 ALA H H 101 8.110 8.110 7.801 0.309 18223
7818 1 17 . 1 1 111 111 LYS N N 102 120.260 120.260 118.372 1.888 18223
7819 1 17 . 1 1 111 111 LYS C C 102 177.490 177.490 178.421 -0.931 18223
7820 1 17 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.228 -1.738 18223
7821 1 17 . 1 1 111 111 LYS H H 102 7.870 7.870 8.032 -0.162 18223
7822 1 17 . 1 1 112 112 VAL N N 103 120.410 120.410 117.917 2.493 18223
7823 1 17 . 1 1 112 112 VAL C C 103 176.240 176.240 178.356 -2.116 18223
7824 1 17 . 1 1 112 112 VAL CA C 103 65.720 65.720 66.386 -0.666 18223
7825 1 17 . 1 1 112 112 VAL H H 103 7.990 7.990 7.876 0.114 18223
7826 1 17 . 1 1 113 113 GLY N N 104 108.926 108.926 106.071 2.855 18223
7827 1 17 . 1 1 113 113 GLY C C 104 175.150 175.150 174.315 0.835 18223
7828 1 17 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.694 0.956 18223
7829 1 17 . 1 1 113 113 GLY H H 104 8.477 8.477 7.931 0.546 18223
7830 1 17 . 1 1 114 114 VAL N N 105 119.350 119.350 117.110 2.240 18223
7831 1 17 . 1 1 114 114 VAL C C 105 178.390 178.390 173.981 4.409 18223
7832 1 17 . 1 1 114 114 VAL CA C 105 66.140 66.140 61.530 4.610 18223
7833 1 17 . 1 1 114 114 VAL H H 105 8.310 8.310 8.069 0.241 18223
7834 1 17 . 1 1 115 115 SER N N 106 115.964 115.964 117.231 -1.267 18223
7835 1 17 . 1 1 115 115 SER C C 106 177.250 177.250 173.859 3.391 18223
7836 1 17 . 1 1 115 115 SER CA C 106 61.130 61.130 58.725 2.405 18223
7837 1 17 . 1 1 115 115 SER H H 106 7.815 7.815 8.499 -0.684 18223
7838 1 17 . 1 1 116 116 MET N N 107 120.190 120.190 119.134 1.056 18223
7839 1 17 . 1 1 116 116 MET C C 107 177.190 177.190 174.207 2.983 18223
7840 1 17 . 1 1 116 116 MET CA C 107 57.450 57.450 57.193 0.257 18223
7841 1 17 . 1 1 116 116 MET H H 107 7.820 7.820 8.213 -0.393 18223
7842 1 17 . 1 1 117 117 PHE N N 108 117.325 117.325 117.007 0.318 18223
7843 1 17 . 1 1 117 117 PHE C C 108 175.740 175.740 175.871 -0.131 18223
7844 1 17 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.373 1.497 18223
7845 1 17 . 1 1 117 117 PHE H H 108 7.735 7.735 8.451 -0.716 18223
7846 1 17 . 1 1 118 118 ASN N N 109 118.878 118.878 119.849 -0.971 18223
7847 1 17 . 1 1 118 118 ASN C C 109 174.830 174.830 175.473 -0.643 18223
7848 1 17 . 1 1 118 118 ASN CA C 109 53.060 53.060 54.479 -1.419 18223
7849 1 17 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.286 0.779 18223
7850 1 17 . 1 1 118 118 ASN H H 109 7.907 7.907 8.656 -0.749 18223
7851 1 17 . 1 1 119 119 ARG N N 110 122.870 122.870 118.092 4.778 18223
7852 1 17 . 1 1 119 119 ARG CA C 110 54.150 54.150 56.328 -2.178 18223
7853 1 17 . 1 1 119 119 ARG H H 110 7.894 7.894 8.769 -0.875 18223
7854 1 17 . 1 1 120 120 PRO C C 111 176.590 176.590 177.259 -0.669 18223
7855 1 18 . 1 1 11 11 GLN C C 2 176.170 176.170 174.712 1.458 18223
7856 1 18 . 1 1 12 12 ASP N N 3 120.369 120.369 124.806 -4.437 18223
7857 1 18 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.621 -0.471 18223
7858 1 18 . 1 1 12 12 ASP C C 3 176.980 176.980 176.424 0.556 18223
7859 1 18 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.264 0.573 18223
7860 1 18 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.251 -1.455 18223
7861 1 18 . 1 1 12 12 ASP H H 3 8.275 8.275 8.547 -0.272 18223
7862 1 18 . 1 1 13 13 THR N N 4 114.220 114.220 116.314 -2.094 18223
7863 1 18 . 1 1 13 13 THR HA H 4 4.636 4.636 4.066 0.570 18223
7864 1 18 . 1 1 13 13 THR C C 4 175.530 175.530 174.308 1.222 18223
7865 1 18 . 1 1 13 13 THR CA C 4 62.790 62.790 62.343 0.448 18223
7866 1 18 . 1 1 13 13 THR CB C 4 69.134 69.134 68.028 1.106 18223
7867 1 18 . 1 1 13 13 THR H H 4 7.990 7.990 8.228 -0.238 18223
7868 1 18 . 1 1 14 14 SER N N 5 117.664 117.664 121.538 -3.874 18223
7869 1 18 . 1 1 14 14 SER HA H 5 4.296 4.296 4.013 0.283 18223
7870 1 18 . 1 1 14 14 SER C C 5 175.200 175.200 174.568 0.632 18223
7871 1 18 . 1 1 14 14 SER CA C 5 59.443 59.443 58.800 0.643 18223
7872 1 18 . 1 1 14 14 SER CB C 5 63.438 63.438 62.436 1.002 18223
7873 1 18 . 1 1 14 14 SER H H 5 8.255 8.255 8.064 0.191 18223
7874 1 18 . 1 1 15 15 SER N N 6 117.093 117.093 116.280 0.813 18223
7875 1 18 . 1 1 15 15 SER HA H 6 4.317 4.317 4.207 0.110 18223
7876 1 18 . 1 1 15 15 SER C C 6 174.770 174.770 173.996 0.774 18223
7877 1 18 . 1 1 15 15 SER CA C 6 58.737 58.737 59.953 -1.216 18223
7878 1 18 . 1 1 15 15 SER CB C 6 63.656 63.656 63.709 -0.053 18223
7879 1 18 . 1 1 15 15 SER H H 6 8.050 8.050 8.638 -0.588 18223
7880 1 18 . 1 1 16 16 VAL N N 7 119.995 119.995 120.219 -0.224 18223
7881 1 18 . 1 1 16 16 VAL C C 7 176.150 176.150 174.932 1.218 18223
7882 1 18 . 1 1 16 16 VAL CA C 7 62.743 62.743 61.770 0.973 18223
7883 1 18 . 1 1 16 16 VAL CB C 7 32.215 32.215 34.115 -1.901 18223
7884 1 18 . 1 1 16 16 VAL H H 7 7.775 7.775 7.282 0.493 18223
7885 1 18 . 1 1 17 17 VAL N N 8 121.090 121.090 123.964 -2.874 18223
7886 1 18 . 1 1 17 17 VAL CA C 8 60.910 60.910 62.275 -1.365 18223
7887 1 18 . 1 1 17 17 VAL H H 8 7.730 7.730 8.211 -0.481 18223
7888 1 18 . 1 1 18 18 PRO C C 9 178.410 178.410 178.131 0.279 18223
7889 1 18 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.244 1.266 18223
7890 1 18 . 1 1 19 19 LEU N N 10 121.410 121.410 122.122 -0.712 18223
7891 1 18 . 1 1 19 19 LEU C C 10 178.910 178.910 179.009 -0.099 18223
7892 1 18 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.889 -3.039 18223
7893 1 18 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.508 -0.063 18223
7894 1 18 . 1 1 19 19 LEU H H 10 7.930 7.930 8.726 -0.796 18223
7895 1 18 . 1 1 20 20 HIS N N 11 116.900 116.900 116.847 0.053 18223
7896 1 18 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.323 0.308 18223
7897 1 18 . 1 1 20 20 HIS C C 11 174.990 174.990 178.064 -3.074 18223
7898 1 18 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.240 -3.240 18223
7899 1 18 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.118 -1.158 18223
7900 1 18 . 1 1 20 20 HIS H H 11 8.384 8.384 8.291 0.093 18223
7901 1 18 . 1 1 21 21 TRP C C 12 177.660 177.660 179.120 -1.460 18223
7902 1 18 . 1 1 22 22 PHE N N 13 119.238 119.238 118.664 0.574 18223
7903 1 18 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.108 0.180 18223
7904 1 18 . 1 1 22 22 PHE C C 13 177.410 177.410 178.190 -0.780 18223
7905 1 18 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.429 -1.731 18223
7906 1 18 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.773 -0.429 18223
7907 1 18 . 1 1 22 22 PHE H H 13 7.883 7.883 8.640 -0.757 18223
7908 1 18 . 1 1 23 23 GLY N N 14 107.209 107.209 106.093 1.116 18223
7909 1 18 . 1 1 23 23 GLY C C 14 176.220 176.220 175.729 0.491 18223
7910 1 18 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.214 -0.134 18223
7911 1 18 . 1 1 23 23 GLY H H 14 7.911 7.911 8.437 -0.526 18223
7912 1 18 . 1 1 24 24 PHE N N 15 121.880 121.880 123.240 -1.360 18223
7913 1 18 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.316 0.097 18223
7914 1 18 . 1 1 24 24 PHE C C 15 177.840 177.840 177.713 0.127 18223
7915 1 18 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.725 -0.635 18223
7916 1 18 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.197 -0.348 18223
7917 1 18 . 1 1 24 24 PHE H H 15 7.900 7.900 8.418 -0.518 18223
7918 1 18 . 1 1 25 25 GLY N N 16 107.640 107.640 107.300 0.340 18223
7919 1 18 . 1 1 25 25 GLY C C 16 174.910 174.910 175.612 -0.702 18223
7920 1 18 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.207 0.123 18223
7921 1 18 . 1 1 25 25 GLY H H 16 8.320 8.320 8.864 -0.544 18223
7922 1 18 . 1 1 26 26 TYR N N 17 121.804 121.804 123.891 -2.087 18223
7923 1 18 . 1 1 26 26 TYR C C 17 177.120 177.120 177.380 -0.260 18223
7924 1 18 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.111 0.559 18223
7925 1 18 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.420 -0.019 18223
7926 1 18 . 1 1 26 26 TYR H H 17 8.365 8.365 8.168 0.197 18223
7927 1 18 . 1 1 27 27 ALA N N 18 120.785 120.785 120.539 0.246 18223
7928 1 18 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.866 0.017 18223
7929 1 18 . 1 1 27 27 ALA C C 18 178.790 178.790 179.021 -0.231 18223
7930 1 18 . 1 1 27 27 ALA CA C 18 55.040 55.040 54.941 0.100 18223
7931 1 18 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.860 -0.139 18223
7932 1 18 . 1 1 27 27 ALA H H 18 7.949 7.949 8.274 -0.325 18223
7933 1 18 . 1 1 28 28 ALA N N 19 120.210 120.210 121.542 -1.332 18223
7934 1 18 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.764 0.086 18223
7935 1 18 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.039 -0.318 18223
7936 1 18 . 1 1 28 28 ALA H H 19 7.870 7.870 7.673 0.197 18223
7937 1 18 . 1 1 29 29 LEU N N 20 120.090 120.090 119.603 0.487 18223
7938 1 18 . 1 1 29 29 LEU CA C 20 52.000 52.000 57.974 -5.974 18223
7939 1 18 . 1 1 29 29 LEU H H 20 8.000 8.000 7.843 0.157 18223
7940 1 18 . 1 1 30 30 VAL N N 21 118.299 118.299 119.188 -0.889 18223
7941 1 18 . 1 1 30 30 VAL C C 21 178.920 178.920 177.741 1.179 18223
7942 1 18 . 1 1 30 30 VAL CA C 21 65.620 65.620 67.389 -1.769 18223
7943 1 18 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.317 -0.040 18223
7944 1 18 . 1 1 30 30 VAL H H 21 7.947 7.947 7.735 0.212 18223
7945 1 18 . 1 1 31 31 ALA N N 22 122.600 122.600 120.171 2.429 18223
7946 1 18 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.811 0.362 18223
7947 1 18 . 1 1 31 31 ALA C C 22 179.540 179.540 179.520 0.020 18223
7948 1 18 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.201 -0.993 18223
7949 1 18 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.923 0.519 18223
7950 1 18 . 1 1 31 31 ALA H H 22 7.819 7.819 7.895 -0.076 18223
7951 1 18 . 1 1 32 32 SER N N 23 113.502 113.502 115.724 -2.222 18223
7952 1 18 . 1 1 32 32 SER HA H 23 4.015 4.015 3.923 0.092 18223
7953 1 18 . 1 1 32 32 SER C C 23 175.890 175.890 176.745 -0.855 18223
7954 1 18 . 1 1 32 32 SER CA C 23 60.490 60.490 63.097 -2.607 18223
7955 1 18 . 1 1 32 32 SER CB C 23 63.510 63.510 62.737 0.773 18223
7956 1 18 . 1 1 32 32 SER H H 23 7.826 7.826 8.367 -0.541 18223
7957 1 18 . 1 1 33 33 GLY N N 24 109.939 109.939 108.534 1.405 18223
7958 1 18 . 1 1 33 33 GLY C C 24 176.180 176.180 175.646 0.534 18223
7959 1 18 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.902 -0.252 18223
7960 1 18 . 1 1 33 33 GLY H H 24 7.985 7.985 8.309 -0.324 18223
7961 1 18 . 1 1 34 34 GLY N N 25 109.396 109.396 110.270 -0.874 18223
7962 1 18 . 1 1 34 34 GLY C C 25 175.330 175.330 176.213 -0.883 18223
7963 1 18 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.893 -0.723 18223
7964 1 18 . 1 1 34 34 GLY H H 25 8.235 8.235 7.932 0.303 18223
7965 1 18 . 1 1 35 35 ILE N N 26 120.211 120.211 123.170 -2.959 18223
7966 1 18 . 1 1 35 35 ILE C C 26 177.400 177.400 178.402 -1.002 18223
7967 1 18 . 1 1 35 35 ILE CA C 26 63.830 63.830 63.036 0.794 18223
7968 1 18 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.414 0.425 18223
7969 1 18 . 1 1 35 35 ILE H H 26 7.998 7.998 7.909 0.089 18223
7970 1 18 . 1 1 36 36 ILE N N 27 120.051 120.051 119.144 0.907 18223
7971 1 18 . 1 1 36 36 ILE C C 27 177.900 177.900 178.083 -0.183 18223
7972 1 18 . 1 1 36 36 ILE CA C 27 63.850 63.850 65.051 -1.201 18223
7973 1 18 . 1 1 36 36 ILE CB C 27 36.830 36.830 37.030 -0.200 18223
7974 1 18 . 1 1 36 36 ILE H H 27 7.998 7.998 8.812 -0.814 18223
7975 1 18 . 1 1 37 37 GLY N N 28 107.531 107.531 107.919 -0.388 18223
7976 1 18 . 1 1 37 37 GLY C C 28 176.120 176.120 176.315 -0.195 18223
7977 1 18 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.574 0.226 18223
7978 1 18 . 1 1 37 37 GLY H H 28 7.983 7.983 7.537 0.446 18223
7979 1 18 . 1 1 38 38 TYR N N 29 120.900 120.900 121.580 -0.680 18223
7980 1 18 . 1 1 38 38 TYR C C 29 176.530 176.530 177.825 -1.295 18223
7981 1 18 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.649 -0.919 18223
7982 1 18 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.588 -0.100 18223
7983 1 18 . 1 1 38 38 TYR H H 29 7.726 7.726 8.142 -0.416 18223
7984 1 18 . 1 1 39 39 VAL N N 30 117.958 117.958 114.654 3.304 18223
7985 1 18 . 1 1 39 39 VAL C C 30 177.600 177.600 176.997 0.603 18223
7986 1 18 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.086 0.289 18223
7987 1 18 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.532 -1.111 18223
7988 1 18 . 1 1 39 39 VAL H H 30 7.849 7.849 8.218 -0.369 18223
7989 1 18 . 1 1 40 40 LYS N N 31 120.116 120.116 117.606 2.510 18223
7990 1 18 . 1 1 40 40 LYS C C 31 177.090 177.090 174.891 2.199 18223
7991 1 18 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.393 -0.623 18223
7992 1 18 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.408 0.807 18223
7993 1 18 . 1 1 40 40 LYS H H 31 8.072 8.072 7.750 0.322 18223
7994 1 18 . 1 1 41 41 ALA N N 32 122.082 122.082 121.537 0.545 18223
7995 1 18 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.372 -0.131 18223
7996 1 18 . 1 1 41 41 ALA C C 32 178.780 178.780 177.042 1.738 18223
7997 1 18 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.319 0.941 18223
7998 1 18 . 1 1 41 41 ALA CB C 32 18.730 18.730 18.899 -0.169 18223
7999 1 18 . 1 1 41 41 ALA H H 32 7.786 7.786 7.624 0.162 18223
8000 1 18 . 1 1 42 42 GLY N N 33 106.746 106.746 107.969 -1.223 18223
8001 1 18 . 1 1 42 42 GLY C C 33 174.790 174.790 174.518 0.272 18223
8002 1 18 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.237 0.583 18223
8003 1 18 . 1 1 42 42 GLY H H 33 7.964 7.964 8.460 -0.496 18223
8004 1 18 . 1 1 43 43 SER N N 34 115.541 115.541 114.548 0.993 18223
8005 1 18 . 1 1 43 43 SER HA H 34 4.491 4.491 4.996 -0.505 18223
8006 1 18 . 1 1 43 43 SER C C 34 174.920 174.920 174.286 0.634 18223
8007 1 18 . 1 1 43 43 SER CA C 34 58.730 58.730 57.698 1.032 18223
8008 1 18 . 1 1 43 43 SER CB C 34 63.798 63.798 65.045 -1.247 18223
8009 1 18 . 1 1 43 43 SER H H 34 8.049 8.049 8.061 -0.012 18223
8010 1 18 . 1 1 44 44 VAL N N 35 121.887 121.887 118.246 3.641 18223
8011 1 18 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.425 1.905 18223
8012 1 18 . 1 1 44 44 VAL CB C 35 29.330 29.330 31.723 -2.393 18223
8013 1 18 . 1 1 44 44 VAL H H 35 8.332 8.332 8.352 -0.020 18223
8014 1 18 . 1 1 46 46 SER N N 37 113.762 113.762 114.496 -0.734 18223
8015 1 18 . 1 1 46 46 SER CA C 37 61.130 61.130 61.178 -0.048 18223
8016 1 18 . 1 1 46 46 SER CB C 37 62.789 62.789 62.712 0.077 18223
8017 1 18 . 1 1 46 46 SER H H 37 7.924 7.924 7.812 0.112 18223
8018 1 18 . 1 1 47 47 LEU N N 38 124.450 124.450 121.550 2.900 18223
8019 1 18 . 1 1 47 47 LEU C C 38 176.440 176.440 178.295 -1.855 18223
8020 1 18 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.062 -0.702 18223
8021 1 18 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.804 0.001 18223
8022 1 18 . 1 1 47 47 LEU H H 38 8.108 8.108 7.793 0.315 18223
8023 1 18 . 1 1 48 48 ALA N N 39 121.290 121.290 120.582 0.708 18223
8024 1 18 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.107 -0.497 18223
8025 1 18 . 1 1 48 48 ALA H H 39 8.250 8.250 7.750 0.500 18223
8026 1 18 . 1 1 49 49 ALA N N 40 120.070 120.070 120.477 -0.407 18223
8027 1 18 . 1 1 49 49 ALA C C 40 179.910 179.910 179.835 0.075 18223
8028 1 18 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.957 0.153 18223
8029 1 18 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.260 -0.179 18223
8030 1 18 . 1 1 49 49 ALA H H 40 8.145 8.145 8.069 0.076 18223
8031 1 18 . 1 1 50 50 GLY N N 41 104.977 104.977 107.283 -2.306 18223
8032 1 18 . 1 1 50 50 GLY C C 41 174.870 174.870 175.761 -0.891 18223
8033 1 18 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.729 0.196 18223
8034 1 18 . 1 1 50 50 GLY H H 41 8.103 8.103 8.077 0.026 18223
8035 1 18 . 1 1 51 51 LEU N N 42 122.431 122.431 122.343 0.088 18223
8036 1 18 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.135 -0.805 18223
8037 1 18 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.127 -0.321 18223
8038 1 18 . 1 1 51 51 LEU H H 42 7.796 7.796 7.779 0.017 18223
8039 1 18 . 1 1 52 52 LEU N N 43 119.483 119.483 119.812 -0.329 18223
8040 1 18 . 1 1 52 52 LEU C C 43 179.910 179.910 179.317 0.593 18223
8041 1 18 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.488 -0.718 18223
8042 1 18 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.041 0.331 18223
8043 1 18 . 1 1 52 52 LEU H H 43 7.862 7.862 7.949 -0.087 18223
8044 1 18 . 1 1 53 53 PHE N N 44 117.117 117.117 116.742 0.375 18223
8045 1 18 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.237 0.134 18223
8046 1 18 . 1 1 53 53 PHE C C 44 178.530 178.530 178.226 0.304 18223
8047 1 18 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.366 -1.216 18223
8048 1 18 . 1 1 53 53 PHE CB C 44 38.128 38.128 37.885 0.243 18223
8049 1 18 . 1 1 53 53 PHE H H 44 8.343 8.343 8.646 -0.303 18223
8050 1 18 . 1 1 54 54 GLY N N 45 107.605 107.605 108.539 -0.934 18223
8051 1 18 . 1 1 54 54 GLY C C 45 176.400 176.400 176.179 0.221 18223
8052 1 18 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.299 -0.549 18223
8053 1 18 . 1 1 54 54 GLY H H 45 8.150 8.150 8.078 0.072 18223
8054 1 18 . 1 1 55 55 SER N N 46 117.713 117.713 117.862 -0.149 18223
8055 1 18 . 1 1 55 55 SER C C 46 176.130 176.130 176.656 -0.526 18223
8056 1 18 . 1 1 55 55 SER CA C 46 61.240 61.240 61.364 -0.124 18223
8057 1 18 . 1 1 55 55 SER CB C 46 63.294 63.294 62.930 0.364 18223
8058 1 18 . 1 1 55 55 SER H H 46 7.942 7.942 7.948 -0.006 18223
8059 1 18 . 1 1 56 56 LEU N N 47 121.618 121.618 121.334 0.284 18223
8060 1 18 . 1 1 56 56 LEU C C 47 178.510 178.510 177.251 1.259 18223
8061 1 18 . 1 1 56 56 LEU CA C 47 56.760 56.760 56.873 -0.113 18223
8062 1 18 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.634 -0.478 18223
8063 1 18 . 1 1 56 56 LEU H H 47 7.910 7.910 7.996 -0.086 18223
8064 1 18 . 1 1 57 57 ALA N N 48 121.557 121.557 121.711 -0.154 18223
8065 1 18 . 1 1 57 57 ALA C C 48 180.040 180.040 179.817 0.223 18223
8066 1 18 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.921 -0.371 18223
8067 1 18 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.287 -0.206 18223
8068 1 18 . 1 1 57 57 ALA H H 48 7.878 7.878 7.985 -0.107 18223
8069 1 18 . 1 1 58 58 GLY N N 49 106.435 106.435 108.050 -1.615 18223
8070 1 18 . 1 1 58 58 GLY C C 49 175.740 175.740 176.343 -0.603 18223
8071 1 18 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.885 -0.605 18223
8072 1 18 . 1 1 58 58 GLY H H 49 8.085 8.085 8.645 -0.560 18223
8073 1 18 . 1 1 59 59 LEU N N 50 121.230 121.230 122.178 -0.948 18223
8074 1 18 . 1 1 59 59 LEU C C 50 178.390 178.390 178.950 -0.560 18223
8075 1 18 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.261 -0.831 18223
8076 1 18 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.020 0.641 18223
8077 1 18 . 1 1 59 59 LEU H H 50 7.770 7.770 8.442 -0.672 18223
8078 1 18 . 1 1 60 60 GLY N N 51 106.525 106.525 106.233 0.292 18223
8079 1 18 . 1 1 60 60 GLY C C 51 174.820 174.820 175.554 -0.734 18223
8080 1 18 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.249 -0.959 18223
8081 1 18 . 1 1 60 60 GLY H H 51 8.090 8.090 7.908 0.182 18223
8082 1 18 . 1 1 61 61 ALA N N 52 122.773 122.773 122.533 0.240 18223
8083 1 18 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.079 0.023 18223
8084 1 18 . 1 1 61 61 ALA C C 52 178.320 178.320 179.183 -0.863 18223
8085 1 18 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.630 -0.210 18223
8086 1 18 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.572 -0.130 18223
8087 1 18 . 1 1 61 61 ALA H H 52 7.819 7.819 8.142 -0.323 18223
8088 1 18 . 1 1 62 62 TYR N N 53 118.481 118.481 119.550 -1.069 18223
8089 1 18 . 1 1 62 62 TYR C C 53 176.390 176.390 176.485 -0.095 18223
8090 1 18 . 1 1 62 62 TYR CA C 53 59.000 59.000 60.940 -1.940 18223
8091 1 18 . 1 1 62 62 TYR CB C 53 38.344 38.344 38.386 -0.042 18223
8092 1 18 . 1 1 62 62 TYR H H 53 7.794 7.794 7.540 0.254 18223
8093 1 18 . 1 1 63 63 GLN N N 54 120.770 120.770 113.744 7.026 18223
8094 1 18 . 1 1 63 63 GLN CA C 54 56.560 56.560 54.793 1.767 18223
8095 1 18 . 1 1 63 63 GLN CB C 54 28.648 28.648 30.267 -1.619 18223
8096 1 18 . 1 1 63 63 GLN H H 54 8.033 8.033 7.668 0.365 18223
8097 1 18 . 1 1 64 64 LEU N N 55 121.847 121.847 119.970 1.877 18223
8098 1 18 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.029 0.141 18223
8099 1 18 . 1 1 64 64 LEU C C 55 177.790 177.790 175.990 1.800 18223
8100 1 18 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.943 0.067 18223
8101 1 18 . 1 1 64 64 LEU CB C 55 41.805 41.805 41.470 0.335 18223
8102 1 18 . 1 1 64 64 LEU H H 55 8.018 8.018 8.447 -0.429 18223
8103 1 18 . 1 1 65 65 SER N N 56 113.937 113.937 116.534 -2.597 18223
8104 1 18 . 1 1 65 65 SER C C 56 174.710 174.710 174.980 -0.270 18223
8105 1 18 . 1 1 65 65 SER CA C 56 59.050 59.050 59.645 -0.596 18223
8106 1 18 . 1 1 65 65 SER CB C 56 63.554 63.554 63.545 0.009 18223
8107 1 18 . 1 1 65 65 SER H H 56 7.892 7.892 8.439 -0.547 18223
8108 1 18 . 1 1 66 66 GLN N N 57 120.154 120.154 119.366 0.788 18223
8109 1 18 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.344 -0.101 18223
8110 1 18 . 1 1 66 66 GLN C C 57 175.760 175.760 175.180 0.580 18223
8111 1 18 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.997 -1.347 18223
8112 1 18 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.346 0.202 18223
8113 1 18 . 1 1 66 66 GLN H H 57 7.625 7.625 7.904 -0.279 18223
8114 1 18 . 1 1 67 67 ASP N N 58 120.090 120.090 120.522 -0.432 18223
8115 1 18 . 1 1 67 67 ASP CA C 58 52.000 52.000 52.517 -0.517 18223
8116 1 18 . 1 1 67 67 ASP H H 58 8.000 8.000 7.999 0.001 18223
8117 1 18 . 1 1 68 68 PRO C C 59 177.890 177.890 178.624 -0.734 18223
8118 1 18 . 1 1 69 69 ARG N N 60 117.806 117.806 119.442 -1.636 18223
8119 1 18 . 1 1 69 69 ARG C C 60 178.330 178.330 178.814 -0.484 18223
8120 1 18 . 1 1 69 69 ARG CA C 60 58.895 58.895 59.874 -0.979 18223
8121 1 18 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.838 -0.636 18223
8122 1 18 . 1 1 69 69 ARG H H 60 8.402 8.402 8.512 -0.110 18223
8123 1 18 . 1 1 70 70 ASN N N 61 116.920 116.920 118.120 -1.200 18223
8124 1 18 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.495 -1.195 18223
8125 1 18 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.327 -0.260 18223
8126 1 18 . 1 1 70 70 ASN H H 61 7.930 7.930 7.920 0.010 18223
8127 1 18 . 1 1 71 71 VAL N N 62 120.795 120.795 120.364 0.431 18223
8128 1 18 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.817 -0.890 18223
8129 1 18 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.076 -0.082 18223
8130 1 18 . 1 1 71 71 VAL H H 62 7.783 7.783 7.601 0.182 18223
8131 1 18 . 1 1 72 72 TRP N N 63 120.550 120.550 120.510 0.040 18223
8132 1 18 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.260 0.157 18223
8133 1 18 . 1 1 72 72 TRP C C 63 177.850 177.850 178.988 -1.138 18223
8134 1 18 . 1 1 72 72 TRP CA C 63 60.130 60.130 60.848 -0.718 18223
8135 1 18 . 1 1 72 72 TRP CB C 63 29.313 29.313 28.817 0.496 18223
8136 1 18 . 1 1 72 72 TRP H H 63 7.760 7.760 8.054 -0.294 18223
8137 1 18 . 1 1 73 73 VAL N N 64 117.896 117.896 117.786 0.110 18223
8138 1 18 . 1 1 73 73 VAL C C 64 179.270 179.270 178.691 0.579 18223
8139 1 18 . 1 1 73 73 VAL CA C 64 66.530 66.530 65.824 0.706 18223
8140 1 18 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.632 0.676 18223
8141 1 18 . 1 1 73 73 VAL H H 64 7.905 7.905 8.078 -0.173 18223
8142 1 18 . 1 1 74 74 PHE N N 65 122.086 122.086 121.594 0.492 18223
8143 1 18 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.419 -0.194 18223
8144 1 18 . 1 1 74 74 PHE C C 65 177.760 177.760 176.333 1.427 18223
8145 1 18 . 1 1 74 74 PHE CA C 65 61.290 61.290 60.006 1.284 18223
8146 1 18 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.315 0.246 18223
8147 1 18 . 1 1 74 74 PHE H H 65 7.857 7.857 8.420 -0.563 18223
8148 1 18 . 1 1 75 75 LEU N N 66 121.304 121.304 123.499 -2.195 18223
8149 1 18 . 1 1 75 75 LEU C C 66 179.060 179.060 178.555 0.505 18223
8150 1 18 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.743 0.056 18223
8151 1 18 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.604 -0.304 18223
8152 1 18 . 1 1 75 75 LEU H H 66 8.326 8.326 7.850 0.476 18223
8153 1 18 . 1 1 76 76 ALA N N 67 120.420 120.420 119.927 0.493 18223
8154 1 18 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.954 0.442 18223
8155 1 18 . 1 1 76 76 ALA C C 67 180.180 180.180 179.438 0.742 18223
8156 1 18 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.144 -0.554 18223
8157 1 18 . 1 1 76 76 ALA H H 67 8.283 8.283 8.232 0.051 18223
8158 1 18 . 1 1 77 77 THR N N 68 111.152 111.152 115.617 -4.465 18223
8159 1 18 . 1 1 77 77 THR C C 68 175.830 175.830 176.752 -0.922 18223
8160 1 18 . 1 1 77 77 THR CA C 68 64.159 64.159 67.485 -3.326 18223
8161 1 18 . 1 1 77 77 THR CB C 68 69.711 69.711 68.978 0.733 18223
8162 1 18 . 1 1 77 77 THR H H 68 7.951 7.951 8.105 -0.154 18223
8163 1 18 . 1 1 78 78 SER N N 69 117.883 117.883 117.161 0.722 18223
8164 1 18 . 1 1 78 78 SER C C 69 176.000 176.000 177.038 -1.038 18223
8165 1 18 . 1 1 78 78 SER CA C 69 60.730 60.730 61.676 -0.946 18223
8166 1 18 . 1 1 78 78 SER H H 69 7.839 7.839 8.186 -0.347 18223
8167 1 18 . 1 1 79 79 GLY N N 70 111.078 111.078 110.374 0.704 18223
8168 1 18 . 1 1 79 79 GLY C C 70 175.830 175.830 176.315 -0.485 18223
8169 1 18 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.366 -0.656 18223
8170 1 18 . 1 1 79 79 GLY H H 70 8.269 8.269 8.176 0.093 18223
8171 1 18 . 1 1 80 80 THR N N 71 117.727 117.727 119.494 -1.767 18223
8172 1 18 . 1 1 80 80 THR C C 71 176.110 176.110 176.500 -0.390 18223
8173 1 18 . 1 1 80 80 THR CA C 71 66.178 66.178 65.872 0.306 18223
8174 1 18 . 1 1 80 80 THR CB C 71 68.630 68.630 68.581 0.049 18223
8175 1 18 . 1 1 80 80 THR H H 71 7.823 7.823 8.092 -0.269 18223
8176 1 18 . 1 1 81 81 LEU N N 72 121.422 121.422 123.332 -1.910 18223
8177 1 18 . 1 1 81 81 LEU C C 72 178.620 178.620 177.981 0.639 18223
8178 1 18 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.350 -0.660 18223
8179 1 18 . 1 1 81 81 LEU H H 72 7.846 7.846 8.551 -0.705 18223
8180 1 18 . 1 1 82 82 ALA N N 73 121.160 121.160 118.638 2.522 18223
8181 1 18 . 1 1 82 82 ALA C C 73 180.440 180.440 179.558 0.882 18223
8182 1 18 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.124 1.056 18223
8183 1 18 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.198 -0.334 18223
8184 1 18 . 1 1 82 82 ALA H H 73 8.050 8.050 7.961 0.089 18223
8185 1 18 . 1 1 83 83 GLY N N 74 106.017 106.017 108.286 -2.269 18223
8186 1 18 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.711 0.299 18223
8187 1 18 . 1 1 83 83 GLY H H 74 8.132 8.132 7.691 0.441 18223
8188 1 18 . 1 1 84 84 ILE N N 75 122.030 122.030 120.057 1.973 18223
8189 1 18 . 1 1 84 84 ILE C C 75 178.530 178.530 176.167 2.363 18223
8190 1 18 . 1 1 84 84 ILE CA C 75 64.730 64.730 62.150 2.580 18223
8191 1 18 . 1 1 84 84 ILE CB C 75 37.767 37.767 39.878 -2.111 18223
8192 1 18 . 1 1 84 84 ILE H H 75 7.930 7.930 8.536 -0.606 18223
8193 1 18 . 1 1 85 85 MET N N 76 117.920 117.920 113.845 4.075 18223
8194 1 18 . 1 1 85 85 MET CA C 76 57.810 57.810 55.218 2.592 18223
8195 1 18 . 1 1 85 85 MET H H 76 8.140 8.140 7.666 0.474 18223
8196 1 18 . 1 1 86 86 GLY N N 77 109.118 109.118 106.277 2.841 18223
8197 1 18 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.593 1.178 18223
8198 1 18 . 1 1 86 86 GLY H H 77 7.920 7.920 8.190 -0.270 18223
8199 1 18 . 1 1 87 87 MET N N 78 119.220 119.220 122.740 -3.520 18223
8200 1 18 . 1 1 87 87 MET CA C 78 55.810 55.810 56.222 -0.412 18223
8201 1 18 . 1 1 87 87 MET H H 78 7.950 7.950 8.540 -0.590 18223
8202 1 18 . 1 1 88 88 ARG N N 79 120.090 120.090 122.666 -2.576 18223
8203 1 18 . 1 1 88 88 ARG CA C 79 52.000 52.000 55.361 -3.361 18223
8204 1 18 . 1 1 88 88 ARG H H 79 8.000 8.000 8.005 -0.005 18223
8205 1 18 . 1 1 90 90 TYR C C 81 176.310 176.310 175.427 0.883 18223
8206 1 18 . 1 1 91 91 HIS N N 82 118.270 118.270 121.147 -2.877 18223
8207 1 18 . 1 1 91 91 HIS C C 82 174.940 174.940 175.056 -0.116 18223
8208 1 18 . 1 1 91 91 HIS CA C 82 55.850 55.850 57.962 -2.112 18223
8209 1 18 . 1 1 91 91 HIS H H 82 8.130 8.130 8.089 0.041 18223
8210 1 18 . 1 1 92 92 SER N N 83 115.818 115.818 112.869 2.949 18223
8211 1 18 . 1 1 92 92 SER C C 83 175.470 175.470 173.709 1.761 18223
8212 1 18 . 1 1 92 92 SER CA C 83 59.430 59.430 58.312 1.118 18223
8213 1 18 . 1 1 92 92 SER CB C 83 63.870 63.870 63.704 0.166 18223
8214 1 18 . 1 1 92 92 SER H H 83 8.007 8.007 8.693 -0.686 18223
8215 1 18 . 1 1 93 93 GLY N N 84 110.518 110.518 109.419 1.099 18223
8216 1 18 . 1 1 93 93 GLY C C 84 174.740 174.740 173.748 0.992 18223
8217 1 18 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.150 0.780 18223
8218 1 18 . 1 1 93 93 GLY H H 84 8.099 8.099 8.380 -0.281 18223
8219 1 18 . 1 1 94 94 LYS N N 85 120.088 120.088 121.180 -1.092 18223
8220 1 18 . 1 1 94 94 LYS CA C 85 56.443 56.443 54.972 1.471 18223
8221 1 18 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.293 -0.934 18223
8222 1 18 . 1 1 94 94 LYS H H 85 7.810 7.810 7.925 -0.115 18223
8223 1 18 . 1 1 95 95 PHE N N 86 118.766 118.766 113.314 5.452 18223
8224 1 18 . 1 1 95 95 PHE CA C 86 57.810 57.810 57.452 0.358 18223
8225 1 18 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.581 0.700 18223
8226 1 18 . 1 1 95 95 PHE H H 86 7.911 7.911 7.599 0.312 18223
8227 1 18 . 1 1 96 96 MET N N 87 120.600 120.600 122.914 -2.314 18223
8228 1 18 . 1 1 96 96 MET CA C 87 53.150 53.150 55.757 -2.607 18223
8229 1 18 . 1 1 96 96 MET H H 87 7.670 7.670 7.111 0.559 18223
8230 1 18 . 1 1 97 97 PRO C C 88 176.820 176.820 175.206 1.614 18223
8231 1 18 . 1 1 98 98 ALA N N 89 124.300 124.300 122.606 1.694 18223
8232 1 18 . 1 1 98 98 ALA C C 89 179.480 179.480 177.658 1.822 18223
8233 1 18 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.761 0.629 18223
8234 1 18 . 1 1 98 98 ALA CB C 89 18.802 18.802 20.159 -1.357 18223
8235 1 18 . 1 1 98 98 ALA H H 89 8.302 8.302 8.342 -0.040 18223
8236 1 18 . 1 1 99 99 GLY N N 90 107.011 107.011 107.977 -0.966 18223
8237 1 18 . 1 1 99 99 GLY C C 90 174.920 174.920 175.144 -0.224 18223
8238 1 18 . 1 1 99 99 GLY CA C 90 45.880 45.880 45.491 0.389 18223
8239 1 18 . 1 1 99 99 GLY H H 90 8.341 8.341 7.613 0.728 18223
8240 1 18 . 1 1 100 100 LEU N N 91 120.873 120.873 126.953 -6.080 18223
8241 1 18 . 1 1 100 100 LEU C C 91 177.250 177.250 178.928 -1.678 18223
8242 1 18 . 1 1 100 100 LEU CA C 91 56.100 56.100 58.306 -2.206 18223
8243 1 18 . 1 1 100 100 LEU CB C 91 42.094 42.094 41.926 0.168 18223
8244 1 18 . 1 1 100 100 LEU H H 91 7.732 7.732 8.530 -0.798 18223
8245 1 18 . 1 1 101 101 ILE N N 92 118.245 118.245 120.077 -1.832 18223
8246 1 18 . 1 1 101 101 ILE C C 92 177.130 177.130 178.112 -0.982 18223
8247 1 18 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.032 -3.119 18223
8248 1 18 . 1 1 101 101 ILE CB C 92 38.128 38.128 36.251 1.877 18223
8249 1 18 . 1 1 101 101 ILE H H 92 7.668 7.668 7.899 -0.231 18223
8250 1 18 . 1 1 102 102 ALA N N 93 127.523 127.523 122.884 4.639 18223
8251 1 18 . 1 1 102 102 ALA C C 93 179.370 179.370 179.684 -0.314 18223
8252 1 18 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.157 -2.319 18223
8253 1 18 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.220 0.799 18223
8254 1 18 . 1 1 102 102 ALA H H 93 8.110 8.110 8.137 -0.027 18223
8255 1 18 . 1 1 103 103 GLY N N 94 109.013 109.013 106.616 2.397 18223
8256 1 18 . 1 1 103 103 GLY C C 94 175.290 175.290 175.793 -0.503 18223
8257 1 18 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.968 -1.548 18223
8258 1 18 . 1 1 103 103 GLY H H 94 8.180 8.180 8.259 -0.079 18223
8259 1 18 . 1 1 104 104 ALA N N 95 123.130 123.130 124.335 -1.205 18223
8260 1 18 . 1 1 104 104 ALA C C 95 180.040 180.040 179.583 0.457 18223
8261 1 18 . 1 1 104 104 ALA H H 95 8.230 8.230 8.277 -0.047 18223
8262 1 18 . 1 1 105 105 SER N N 96 114.606 114.606 114.857 -0.251 18223
8263 1 18 . 1 1 105 105 SER C C 96 176.140 176.140 176.880 -0.740 18223
8264 1 18 . 1 1 105 105 SER H H 96 7.915 7.915 7.995 -0.080 18223
8265 1 18 . 1 1 106 106 LEU N N 97 122.651 122.651 123.211 -0.560 18223
8266 1 18 . 1 1 106 106 LEU C C 97 179.140 179.140 178.255 0.885 18223
8267 1 18 . 1 1 106 106 LEU H H 97 8.066 8.066 8.042 0.024 18223
8268 1 18 . 1 1 108 108 MET N N 99 118.381 118.381 118.447 -0.066 18223
8269 1 18 . 1 1 108 108 MET C C 99 178.830 178.830 178.426 0.404 18223
8270 1 18 . 1 1 108 108 MET CA C 99 58.730 58.730 59.874 -1.144 18223
8271 1 18 . 1 1 108 108 MET H H 99 7.682 7.682 8.359 -0.677 18223
8272 1 18 . 1 1 109 109 VAL N N 100 118.713 118.713 118.996 -0.283 18223
8273 1 18 . 1 1 109 109 VAL C C 100 177.930 177.930 177.217 0.713 18223
8274 1 18 . 1 1 109 109 VAL CA C 100 66.230 66.230 65.957 0.273 18223
8275 1 18 . 1 1 109 109 VAL H H 100 7.821 7.821 8.003 -0.182 18223
8276 1 18 . 1 1 110 110 ALA N N 101 122.160 122.160 121.771 0.389 18223
8277 1 18 . 1 1 110 110 ALA C C 101 180.470 180.470 179.218 1.252 18223
8278 1 18 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.479 -0.139 18223
8279 1 18 . 1 1 110 110 ALA H H 101 8.110 8.110 8.029 0.081 18223
8280 1 18 . 1 1 111 111 LYS N N 102 120.260 120.260 120.013 0.247 18223
8281 1 18 . 1 1 111 111 LYS C C 102 177.490 177.490 179.075 -1.585 18223
8282 1 18 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.153 -1.663 18223
8283 1 18 . 1 1 111 111 LYS H H 102 7.870 7.870 8.107 -0.237 18223
8284 1 18 . 1 1 112 112 VAL N N 103 120.410 120.410 117.901 2.509 18223
8285 1 18 . 1 1 112 112 VAL C C 103 176.240 176.240 178.083 -1.843 18223
8286 1 18 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.558 0.162 18223
8287 1 18 . 1 1 112 112 VAL H H 103 7.990 7.990 8.089 -0.099 18223
8288 1 18 . 1 1 113 113 GLY N N 104 108.926 108.926 107.508 1.418 18223
8289 1 18 . 1 1 113 113 GLY C C 104 175.150 175.150 174.061 1.089 18223
8290 1 18 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.269 1.381 18223
8291 1 18 . 1 1 113 113 GLY H H 104 8.477 8.477 7.826 0.651 18223
8292 1 18 . 1 1 114 114 VAL N N 105 119.350 119.350 119.664 -0.314 18223
8293 1 18 . 1 1 114 114 VAL C C 105 178.390 178.390 173.730 4.660 18223
8294 1 18 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.952 3.188 18223
8295 1 18 . 1 1 114 114 VAL H H 105 8.310 8.310 8.247 0.063 18223
8296 1 18 . 1 1 115 115 SER N N 106 115.964 115.964 122.362 -6.398 18223
8297 1 18 . 1 1 115 115 SER C C 106 177.250 177.250 173.405 3.845 18223
8298 1 18 . 1 1 115 115 SER CA C 106 61.130 61.130 58.743 2.386 18223
8299 1 18 . 1 1 115 115 SER H H 106 7.815 7.815 8.561 -0.746 18223
8300 1 18 . 1 1 116 116 MET N N 107 120.190 120.190 121.207 -1.017 18223
8301 1 18 . 1 1 116 116 MET C C 107 177.190 177.190 174.235 2.955 18223
8302 1 18 . 1 1 116 116 MET CA C 107 57.450 57.450 56.859 0.591 18223
8303 1 18 . 1 1 116 116 MET H H 107 7.820 7.820 8.368 -0.548 18223
8304 1 18 . 1 1 117 117 PHE N N 108 117.325 117.325 116.011 1.314 18223
8305 1 18 . 1 1 117 117 PHE C C 108 175.740 175.740 173.955 1.785 18223
8306 1 18 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.760 1.110 18223
8307 1 18 . 1 1 117 117 PHE H H 108 7.735 7.735 8.125 -0.390 18223
8308 1 18 . 1 1 118 118 ASN N N 109 118.878 118.878 121.762 -2.884 18223
8309 1 18 . 1 1 118 118 ASN C C 109 174.830 174.830 174.358 0.472 18223
8310 1 18 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.542 -0.482 18223
8311 1 18 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.418 -0.353 18223
8312 1 18 . 1 1 118 118 ASN H H 109 7.907 7.907 8.232 -0.325 18223
8313 1 18 . 1 1 119 119 ARG N N 110 122.870 122.870 123.516 -0.646 18223
8314 1 18 . 1 1 119 119 ARG CA C 110 54.150 54.150 53.586 0.564 18223
8315 1 18 . 1 1 119 119 ARG H H 110 7.894 7.894 8.439 -0.545 18223
8316 1 18 . 1 1 120 120 PRO C C 111 176.590 176.590 175.939 0.651 18223
8317 1 19 . 1 1 11 11 GLN C C 2 176.170 176.170 173.726 2.444 18223
8318 1 19 . 1 1 12 12 ASP N N 3 120.369 120.369 120.395 -0.026 18223
8319 1 19 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.836 -0.686 18223
8320 1 19 . 1 1 12 12 ASP C C 3 176.980 176.980 175.251 1.729 18223
8321 1 19 . 1 1 12 12 ASP CA C 3 54.837 54.837 53.759 1.078 18223
8322 1 19 . 1 1 12 12 ASP CB C 3 40.796 40.796 42.517 -1.721 18223
8323 1 19 . 1 1 12 12 ASP H H 3 8.275 8.275 8.660 -0.385 18223
8324 1 19 . 1 1 13 13 THR N N 4 114.220 114.220 114.981 -0.761 18223
8325 1 19 . 1 1 13 13 THR HA H 4 4.636 4.636 3.984 0.652 18223
8326 1 19 . 1 1 13 13 THR C C 4 175.530 175.530 174.691 0.839 18223
8327 1 19 . 1 1 13 13 THR CA C 4 62.790 62.790 62.727 0.063 18223
8328 1 19 . 1 1 13 13 THR CB C 4 69.134 69.134 68.986 0.148 18223
8329 1 19 . 1 1 13 13 THR H H 4 7.990 7.990 8.477 -0.487 18223
8330 1 19 . 1 1 14 14 SER N N 5 117.664 117.664 118.313 -0.649 18223
8331 1 19 . 1 1 14 14 SER HA H 5 4.296 4.296 4.633 -0.337 18223
8332 1 19 . 1 1 14 14 SER C C 5 175.200 175.200 174.620 0.580 18223
8333 1 19 . 1 1 14 14 SER CA C 5 59.443 59.443 58.186 1.257 18223
8334 1 19 . 1 1 14 14 SER CB C 5 63.438 63.438 62.309 1.129 18223
8335 1 19 . 1 1 14 14 SER H H 5 8.255 8.255 8.590 -0.335 18223
8336 1 19 . 1 1 15 15 SER N N 6 117.093 117.093 117.999 -0.906 18223
8337 1 19 . 1 1 15 15 SER HA H 6 4.317 4.317 4.079 0.238 18223
8338 1 19 . 1 1 15 15 SER C C 6 174.770 174.770 173.710 1.060 18223
8339 1 19 . 1 1 15 15 SER CA C 6 58.737 58.737 60.894 -2.157 18223
8340 1 19 . 1 1 15 15 SER CB C 6 63.656 63.656 62.735 0.921 18223
8341 1 19 . 1 1 15 15 SER H H 6 8.050 8.050 8.057 -0.007 18223
8342 1 19 . 1 1 16 16 VAL N N 7 119.995 119.995 121.336 -1.341 18223
8343 1 19 . 1 1 16 16 VAL C C 7 176.150 176.150 174.033 2.117 18223
8344 1 19 . 1 1 16 16 VAL CA C 7 62.743 62.743 62.448 0.295 18223
8345 1 19 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.811 -0.596 18223
8346 1 19 . 1 1 16 16 VAL H H 7 7.775 7.775 7.795 -0.020 18223
8347 1 19 . 1 1 17 17 VAL N N 8 121.090 121.090 117.604 3.486 18223
8348 1 19 . 1 1 17 17 VAL CA C 8 60.910 60.910 58.505 2.405 18223
8349 1 19 . 1 1 17 17 VAL H H 8 7.730 7.730 7.680 0.050 18223
8350 1 19 . 1 1 18 18 PRO C C 9 178.410 178.410 177.817 0.593 18223
8351 1 19 . 1 1 18 18 PRO CA C 9 63.510 63.510 61.953 1.557 18223
8352 1 19 . 1 1 19 19 LEU N N 10 121.410 121.410 123.117 -1.707 18223
8353 1 19 . 1 1 19 19 LEU C C 10 178.910 178.910 178.163 0.747 18223
8354 1 19 . 1 1 19 19 LEU CA C 10 56.850 56.850 58.861 -2.010 18223
8355 1 19 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.899 -0.454 18223
8356 1 19 . 1 1 19 19 LEU H H 10 7.930 7.930 8.449 -0.519 18223
8357 1 19 . 1 1 20 20 HIS N N 11 116.900 116.900 116.925 -0.025 18223
8358 1 19 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.337 0.294 18223
8359 1 19 . 1 1 20 20 HIS C C 11 174.990 174.990 177.574 -2.584 18223
8360 1 19 . 1 1 20 20 HIS CA C 11 57.000 57.000 59.733 -2.733 18223
8361 1 19 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.441 -1.481 18223
8362 1 19 . 1 1 20 20 HIS H H 11 8.384 8.384 8.401 -0.017 18223
8363 1 19 . 1 1 21 21 TRP C C 12 177.660 177.660 179.041 -1.381 18223
8364 1 19 . 1 1 22 22 PHE N N 13 119.238 119.238 118.910 0.328 18223
8365 1 19 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.160 0.128 18223
8366 1 19 . 1 1 22 22 PHE C C 13 177.410 177.410 178.181 -0.771 18223
8367 1 19 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.431 -1.733 18223
8368 1 19 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.855 -0.511 18223
8369 1 19 . 1 1 22 22 PHE H H 13 7.883 7.883 8.565 -0.682 18223
8370 1 19 . 1 1 23 23 GLY N N 14 107.209 107.209 106.172 1.037 18223
8371 1 19 . 1 1 23 23 GLY C C 14 176.220 176.220 175.779 0.441 18223
8372 1 19 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.279 -0.199 18223
8373 1 19 . 1 1 23 23 GLY H H 14 7.911 7.911 8.511 -0.600 18223
8374 1 19 . 1 1 24 24 PHE N N 15 121.880 121.880 123.377 -1.497 18223
8375 1 19 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.273 0.140 18223
8376 1 19 . 1 1 24 24 PHE C C 15 177.840 177.840 177.529 0.311 18223
8377 1 19 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.468 -0.378 18223
8378 1 19 . 1 1 24 24 PHE CB C 15 38.849 38.849 38.972 -0.123 18223
8379 1 19 . 1 1 24 24 PHE H H 15 7.900 7.900 8.292 -0.392 18223
8380 1 19 . 1 1 25 25 GLY N N 16 107.640 107.640 107.018 0.622 18223
8381 1 19 . 1 1 25 25 GLY C C 16 174.910 174.910 175.767 -0.857 18223
8382 1 19 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.059 0.271 18223
8383 1 19 . 1 1 25 25 GLY H H 16 8.320 8.320 8.468 -0.148 18223
8384 1 19 . 1 1 26 26 TYR N N 17 121.804 121.804 122.995 -1.191 18223
8385 1 19 . 1 1 26 26 TYR C C 17 177.120 177.120 177.350 -0.230 18223
8386 1 19 . 1 1 26 26 TYR CA C 17 61.670 61.670 62.124 -0.454 18223
8387 1 19 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.441 -0.040 18223
8388 1 19 . 1 1 26 26 TYR H H 17 8.365 8.365 8.073 0.292 18223
8389 1 19 . 1 1 27 27 ALA N N 18 120.785 120.785 120.317 0.468 18223
8390 1 19 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.913 -0.030 18223
8391 1 19 . 1 1 27 27 ALA C C 18 178.790 178.790 179.212 -0.422 18223
8392 1 19 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.016 0.024 18223
8393 1 19 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.875 -0.154 18223
8394 1 19 . 1 1 27 27 ALA H H 18 7.949 7.949 8.259 -0.310 18223
8395 1 19 . 1 1 28 28 ALA N N 19 120.210 120.210 120.653 -0.443 18223
8396 1 19 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.273 0.577 18223
8397 1 19 . 1 1 28 28 ALA CB C 19 17.721 17.721 17.987 -0.266 18223
8398 1 19 . 1 1 28 28 ALA H H 19 7.870 7.870 7.636 0.234 18223
8399 1 19 . 1 1 29 29 LEU N N 20 120.090 120.090 120.892 -0.802 18223
8400 1 19 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.053 -6.053 18223
8401 1 19 . 1 1 29 29 LEU H H 20 8.000 8.000 7.629 0.371 18223
8402 1 19 . 1 1 30 30 VAL N N 21 118.299 118.299 119.098 -0.799 18223
8403 1 19 . 1 1 30 30 VAL C C 21 178.920 178.920 177.502 1.418 18223
8404 1 19 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.451 -0.830 18223
8405 1 19 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.614 -0.337 18223
8406 1 19 . 1 1 30 30 VAL H H 21 7.947 7.947 7.920 0.027 18223
8407 1 19 . 1 1 31 31 ALA N N 22 122.600 122.600 120.256 2.344 18223
8408 1 19 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.880 0.293 18223
8409 1 19 . 1 1 31 31 ALA C C 22 179.540 179.540 179.371 0.169 18223
8410 1 19 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.349 -1.141 18223
8411 1 19 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.874 0.568 18223
8412 1 19 . 1 1 31 31 ALA H H 22 7.819 7.819 8.020 -0.201 18223
8413 1 19 . 1 1 32 32 SER N N 23 113.502 113.502 114.744 -1.242 18223
8414 1 19 . 1 1 32 32 SER HA H 23 4.015 4.015 3.975 0.040 18223
8415 1 19 . 1 1 32 32 SER C C 23 175.890 175.890 176.953 -1.063 18223
8416 1 19 . 1 1 32 32 SER CA C 23 60.490 60.490 62.828 -2.338 18223
8417 1 19 . 1 1 32 32 SER CB C 23 63.510 63.510 62.836 0.674 18223
8418 1 19 . 1 1 32 32 SER H H 23 7.826 7.826 8.144 -0.318 18223
8419 1 19 . 1 1 33 33 GLY N N 24 109.939 109.939 108.393 1.546 18223
8420 1 19 . 1 1 33 33 GLY C C 24 176.180 176.180 175.596 0.584 18223
8421 1 19 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.907 -0.257 18223
8422 1 19 . 1 1 33 33 GLY H H 24 7.985 7.985 8.176 -0.191 18223
8423 1 19 . 1 1 34 34 GLY N N 25 109.396 109.396 110.317 -0.921 18223
8424 1 19 . 1 1 34 34 GLY C C 25 175.330 175.330 176.060 -0.730 18223
8425 1 19 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.673 -0.503 18223
8426 1 19 . 1 1 34 34 GLY H H 25 8.235 8.235 7.938 0.297 18223
8427 1 19 . 1 1 35 35 ILE N N 26 120.211 120.211 120.000 0.211 18223
8428 1 19 . 1 1 35 35 ILE C C 26 177.400 177.400 178.072 -0.672 18223
8429 1 19 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.938 -1.107 18223
8430 1 19 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.931 -0.092 18223
8431 1 19 . 1 1 35 35 ILE H H 26 7.998 7.998 7.934 0.064 18223
8432 1 19 . 1 1 36 36 ILE N N 27 120.051 120.051 120.005 0.046 18223
8433 1 19 . 1 1 36 36 ILE C C 27 177.900 177.900 178.104 -0.204 18223
8434 1 19 . 1 1 36 36 ILE CA C 27 63.850 63.850 62.966 0.884 18223
8435 1 19 . 1 1 36 36 ILE CB C 27 36.830 36.830 35.662 1.168 18223
8436 1 19 . 1 1 36 36 ILE H H 27 7.998 7.998 8.811 -0.813 18223
8437 1 19 . 1 1 37 37 GLY N N 28 107.531 107.531 107.429 0.102 18223
8438 1 19 . 1 1 37 37 GLY C C 28 176.120 176.120 176.537 -0.417 18223
8439 1 19 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.433 0.367 18223
8440 1 19 . 1 1 37 37 GLY H H 28 7.983 7.983 7.486 0.497 18223
8441 1 19 . 1 1 38 38 TYR N N 29 120.900 120.900 123.947 -3.047 18223
8442 1 19 . 1 1 38 38 TYR C C 29 176.530 176.530 177.403 -0.873 18223
8443 1 19 . 1 1 38 38 TYR CA C 29 60.730 60.730 60.433 0.297 18223
8444 1 19 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.598 -0.110 18223
8445 1 19 . 1 1 38 38 TYR H H 29 7.726 7.726 8.130 -0.404 18223
8446 1 19 . 1 1 39 39 VAL N N 30 117.958 117.958 113.060 4.898 18223
8447 1 19 . 1 1 39 39 VAL C C 30 177.600 177.600 176.779 0.821 18223
8448 1 19 . 1 1 39 39 VAL CA C 30 64.375 64.375 63.308 1.067 18223
8449 1 19 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.560 -1.139 18223
8450 1 19 . 1 1 39 39 VAL H H 30 7.849 7.849 8.000 -0.151 18223
8451 1 19 . 1 1 40 40 LYS N N 31 120.116 120.116 117.409 2.707 18223
8452 1 19 . 1 1 40 40 LYS C C 31 177.090 177.090 175.015 2.075 18223
8453 1 19 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.005 -0.235 18223
8454 1 19 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.576 0.639 18223
8455 1 19 . 1 1 40 40 LYS H H 31 8.072 8.072 7.383 0.689 18223
8456 1 19 . 1 1 41 41 ALA N N 32 122.082 122.082 120.448 1.634 18223
8457 1 19 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.356 -0.115 18223
8458 1 19 . 1 1 41 41 ALA C C 32 178.780 178.780 176.233 2.547 18223
8459 1 19 . 1 1 41 41 ALA CA C 32 53.260 53.260 51.932 1.328 18223
8460 1 19 . 1 1 41 41 ALA CB C 32 18.730 18.730 20.035 -1.305 18223
8461 1 19 . 1 1 41 41 ALA H H 32 7.786 7.786 7.484 0.302 18223
8462 1 19 . 1 1 42 42 GLY N N 33 106.746 106.746 109.402 -2.656 18223
8463 1 19 . 1 1 42 42 GLY C C 33 174.790 174.790 174.402 0.388 18223
8464 1 19 . 1 1 42 42 GLY CA C 33 45.820 45.820 44.728 1.092 18223
8465 1 19 . 1 1 42 42 GLY H H 33 7.964 7.964 8.339 -0.375 18223
8466 1 19 . 1 1 43 43 SER N N 34 115.541 115.541 117.219 -1.678 18223
8467 1 19 . 1 1 43 43 SER HA H 34 4.491 4.491 4.475 0.016 18223
8468 1 19 . 1 1 43 43 SER C C 34 174.920 174.920 175.310 -0.390 18223
8469 1 19 . 1 1 43 43 SER CA C 34 58.730 58.730 58.258 0.471 18223
8470 1 19 . 1 1 43 43 SER CB C 34 63.798 63.798 64.047 -0.249 18223
8471 1 19 . 1 1 43 43 SER H H 34 8.049 8.049 7.964 0.085 18223
8472 1 19 . 1 1 44 44 VAL N N 35 121.887 121.887 126.821 -4.934 18223
8473 1 19 . 1 1 44 44 VAL CA C 35 65.330 65.330 65.700 -0.370 18223
8474 1 19 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.047 -0.717 18223
8475 1 19 . 1 1 44 44 VAL H H 35 8.332 8.332 8.863 -0.531 18223
8476 1 19 . 1 1 46 46 SER N N 37 113.762 113.762 115.234 -1.472 18223
8477 1 19 . 1 1 46 46 SER CA C 37 61.130 61.130 61.581 -0.452 18223
8478 1 19 . 1 1 46 46 SER CB C 37 62.789 62.789 62.696 0.094 18223
8479 1 19 . 1 1 46 46 SER H H 37 7.924 7.924 8.217 -0.293 18223
8480 1 19 . 1 1 47 47 LEU N N 38 124.450 124.450 121.856 2.594 18223
8481 1 19 . 1 1 47 47 LEU C C 38 176.440 176.440 178.282 -1.842 18223
8482 1 19 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.102 -0.742 18223
8483 1 19 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.930 -0.125 18223
8484 1 19 . 1 1 47 47 LEU H H 38 8.108 8.108 7.489 0.619 18223
8485 1 19 . 1 1 48 48 ALA N N 39 121.290 121.290 120.765 0.525 18223
8486 1 19 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.083 -0.473 18223
8487 1 19 . 1 1 48 48 ALA H H 39 8.250 8.250 7.800 0.450 18223
8488 1 19 . 1 1 49 49 ALA N N 40 120.070 120.070 119.399 0.671 18223
8489 1 19 . 1 1 49 49 ALA C C 40 179.910 179.910 179.687 0.223 18223
8490 1 19 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.893 0.217 18223
8491 1 19 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.402 -0.321 18223
8492 1 19 . 1 1 49 49 ALA H H 40 8.145 8.145 8.496 -0.351 18223
8493 1 19 . 1 1 50 50 GLY N N 41 104.977 104.977 107.838 -2.861 18223
8494 1 19 . 1 1 50 50 GLY C C 41 174.870 174.870 175.849 -0.979 18223
8495 1 19 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.734 0.191 18223
8496 1 19 . 1 1 50 50 GLY H H 41 8.103 8.103 7.959 0.144 18223
8497 1 19 . 1 1 51 51 LEU N N 42 122.431 122.431 122.564 -0.133 18223
8498 1 19 . 1 1 51 51 LEU CA C 42 57.330 57.330 58.150 -0.820 18223
8499 1 19 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.240 -0.435 18223
8500 1 19 . 1 1 51 51 LEU H H 42 7.796 7.796 7.832 -0.036 18223
8501 1 19 . 1 1 52 52 LEU N N 43 119.483 119.483 119.598 -0.115 18223
8502 1 19 . 1 1 52 52 LEU C C 43 179.910 179.910 179.439 0.471 18223
8503 1 19 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.437 -0.667 18223
8504 1 19 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.050 0.322 18223
8505 1 19 . 1 1 52 52 LEU H H 43 7.862 7.862 7.936 -0.074 18223
8506 1 19 . 1 1 53 53 PHE N N 44 117.117 117.117 118.171 -1.054 18223
8507 1 19 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.387 -0.016 18223
8508 1 19 . 1 1 53 53 PHE C C 44 178.530 178.530 177.976 0.554 18223
8509 1 19 . 1 1 53 53 PHE CA C 44 60.150 60.150 60.207 -0.057 18223
8510 1 19 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.224 -0.096 18223
8511 1 19 . 1 1 53 53 PHE H H 44 8.343 8.343 8.515 -0.172 18223
8512 1 19 . 1 1 54 54 GLY N N 45 107.605 107.605 109.084 -1.479 18223
8513 1 19 . 1 1 54 54 GLY C C 45 176.400 176.400 176.175 0.225 18223
8514 1 19 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.571 -0.821 18223
8515 1 19 . 1 1 54 54 GLY H H 45 8.150 8.150 7.775 0.375 18223
8516 1 19 . 1 1 55 55 SER N N 46 117.713 117.713 117.681 0.032 18223
8517 1 19 . 1 1 55 55 SER C C 46 176.130 176.130 176.832 -0.702 18223
8518 1 19 . 1 1 55 55 SER CA C 46 61.240 61.240 61.444 -0.204 18223
8519 1 19 . 1 1 55 55 SER CB C 46 63.294 63.294 62.840 0.454 18223
8520 1 19 . 1 1 55 55 SER H H 46 7.942 7.942 7.883 0.059 18223
8521 1 19 . 1 1 56 56 LEU N N 47 121.618 121.618 122.323 -0.705 18223
8522 1 19 . 1 1 56 56 LEU C C 47 178.510 178.510 177.960 0.550 18223
8523 1 19 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.281 -0.520 18223
8524 1 19 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.093 0.063 18223
8525 1 19 . 1 1 56 56 LEU H H 47 7.910 7.910 8.146 -0.236 18223
8526 1 19 . 1 1 57 57 ALA N N 48 121.557 121.557 120.382 1.175 18223
8527 1 19 . 1 1 57 57 ALA C C 48 180.040 180.040 179.761 0.279 18223
8528 1 19 . 1 1 57 57 ALA CA C 48 54.550 54.550 55.336 -0.786 18223
8529 1 19 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.380 -0.299 18223
8530 1 19 . 1 1 57 57 ALA H H 48 7.878 7.878 8.594 -0.716 18223
8531 1 19 . 1 1 58 58 GLY N N 49 106.435 106.435 107.344 -0.909 18223
8532 1 19 . 1 1 58 58 GLY C C 49 175.740 175.740 176.053 -0.313 18223
8533 1 19 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.085 -0.805 18223
8534 1 19 . 1 1 58 58 GLY H H 49 8.085 8.085 8.276 -0.191 18223
8535 1 19 . 1 1 59 59 LEU N N 50 121.230 121.230 122.884 -1.654 18223
8536 1 19 . 1 1 59 59 LEU C C 50 178.390 178.390 179.050 -0.660 18223
8537 1 19 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.861 -1.431 18223
8538 1 19 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.549 0.112 18223
8539 1 19 . 1 1 59 59 LEU H H 50 7.770 7.770 7.904 -0.134 18223
8540 1 19 . 1 1 60 60 GLY N N 51 106.525 106.525 106.717 -0.192 18223
8541 1 19 . 1 1 60 60 GLY C C 51 174.820 174.820 175.741 -0.921 18223
8542 1 19 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.163 -0.873 18223
8543 1 19 . 1 1 60 60 GLY H H 51 8.090 8.090 7.866 0.224 18223
8544 1 19 . 1 1 61 61 ALA N N 52 122.773 122.773 122.844 -0.071 18223
8545 1 19 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.103 -0.001 18223
8546 1 19 . 1 1 61 61 ALA C C 52 178.320 178.320 177.999 0.321 18223
8547 1 19 . 1 1 61 61 ALA CA C 52 53.420 53.420 54.105 -0.685 18223
8548 1 19 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.403 0.039 18223
8549 1 19 . 1 1 61 61 ALA H H 52 7.819 7.819 8.228 -0.409 18223
8550 1 19 . 1 1 62 62 TYR N N 53 118.481 118.481 117.970 0.511 18223
8551 1 19 . 1 1 62 62 TYR C C 53 176.390 176.390 177.087 -0.697 18223
8552 1 19 . 1 1 62 62 TYR CA C 53 59.000 59.000 60.624 -1.624 18223
8553 1 19 . 1 1 62 62 TYR CB C 53 38.344 38.344 39.229 -0.885 18223
8554 1 19 . 1 1 62 62 TYR H H 53 7.794 7.794 7.352 0.442 18223
8555 1 19 . 1 1 63 63 GLN N N 54 120.770 120.770 116.708 4.062 18223
8556 1 19 . 1 1 63 63 GLN CA C 54 56.560 56.560 55.323 1.237 18223
8557 1 19 . 1 1 63 63 GLN CB C 54 28.648 28.648 29.395 -0.747 18223
8558 1 19 . 1 1 63 63 GLN H H 54 8.033 8.033 8.584 -0.551 18223
8559 1 19 . 1 1 64 64 LEU N N 55 121.847 121.847 121.804 0.043 18223
8560 1 19 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.096 0.074 18223
8561 1 19 . 1 1 64 64 LEU C C 55 177.790 177.790 176.965 0.825 18223
8562 1 19 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.578 0.432 18223
8563 1 19 . 1 1 64 64 LEU CB C 55 41.805 41.805 40.600 1.205 18223
8564 1 19 . 1 1 64 64 LEU H H 55 8.018 8.018 7.850 0.168 18223
8565 1 19 . 1 1 65 65 SER N N 56 113.937 113.937 120.309 -6.372 18223
8566 1 19 . 1 1 65 65 SER C C 56 174.710 174.710 174.260 0.450 18223
8567 1 19 . 1 1 65 65 SER CA C 56 59.050 59.050 59.438 -0.388 18223
8568 1 19 . 1 1 65 65 SER CB C 56 63.554 63.554 61.649 1.905 18223
8569 1 19 . 1 1 65 65 SER H H 56 7.892 7.892 8.499 -0.607 18223
8570 1 19 . 1 1 66 66 GLN N N 57 120.154 120.154 120.207 -0.053 18223
8571 1 19 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.481 -0.238 18223
8572 1 19 . 1 1 66 66 GLN C C 57 175.760 175.760 174.768 0.992 18223
8573 1 19 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.562 -0.912 18223
8574 1 19 . 1 1 66 66 GLN CB C 57 29.548 29.548 31.464 -1.916 18223
8575 1 19 . 1 1 66 66 GLN H H 57 7.625 7.625 8.331 -0.706 18223
8576 1 19 . 1 1 67 67 ASP N N 58 120.090 120.090 119.410 0.680 18223
8577 1 19 . 1 1 67 67 ASP CA C 58 52.000 52.000 50.586 1.414 18223
8578 1 19 . 1 1 67 67 ASP H H 58 8.000 8.000 7.692 0.308 18223
8579 1 19 . 1 1 68 68 PRO C C 59 177.890 177.890 178.612 -0.722 18223
8580 1 19 . 1 1 69 69 ARG N N 60 117.806 117.806 119.136 -1.330 18223
8581 1 19 . 1 1 69 69 ARG C C 60 178.330 178.330 178.448 -0.118 18223
8582 1 19 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.307 -1.413 18223
8583 1 19 . 1 1 69 69 ARG CB C 60 29.202 29.202 30.012 -0.810 18223
8584 1 19 . 1 1 69 69 ARG H H 60 8.402 8.402 8.460 -0.058 18223
8585 1 19 . 1 1 70 70 ASN N N 61 116.920 116.920 117.574 -0.654 18223
8586 1 19 . 1 1 70 70 ASN CA C 61 55.300 55.300 55.961 -0.661 18223
8587 1 19 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.730 0.337 18223
8588 1 19 . 1 1 70 70 ASN H H 61 7.930 7.930 8.186 -0.256 18223
8589 1 19 . 1 1 71 71 VAL N N 62 120.795 120.795 121.159 -0.364 18223
8590 1 19 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.512 -0.585 18223
8591 1 19 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.994 -1.000 18223
8592 1 19 . 1 1 71 71 VAL H H 62 7.783 7.783 7.485 0.298 18223
8593 1 19 . 1 1 72 72 TRP N N 63 120.550 120.550 119.706 0.844 18223
8594 1 19 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.278 0.139 18223
8595 1 19 . 1 1 72 72 TRP C C 63 177.850 177.850 178.211 -0.361 18223
8596 1 19 . 1 1 72 72 TRP CA C 63 60.130 60.130 62.431 -2.300 18223
8597 1 19 . 1 1 72 72 TRP CB C 63 29.313 29.313 28.813 0.500 18223
8598 1 19 . 1 1 72 72 TRP H H 63 7.760 7.760 8.044 -0.284 18223
8599 1 19 . 1 1 73 73 VAL N N 64 117.896 117.896 118.609 -0.713 18223
8600 1 19 . 1 1 73 73 VAL C C 64 179.270 179.270 178.166 1.104 18223
8601 1 19 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.594 -0.064 18223
8602 1 19 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.401 -0.093 18223
8603 1 19 . 1 1 73 73 VAL H H 64 7.905 7.905 7.951 -0.046 18223
8604 1 19 . 1 1 74 74 PHE N N 65 122.086 122.086 119.366 2.720 18223
8605 1 19 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.161 0.064 18223
8606 1 19 . 1 1 74 74 PHE C C 65 177.760 177.760 177.467 0.293 18223
8607 1 19 . 1 1 74 74 PHE CA C 65 61.290 61.290 62.411 -1.121 18223
8608 1 19 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.900 -0.340 18223
8609 1 19 . 1 1 74 74 PHE H H 65 7.857 7.857 8.095 -0.238 18223
8610 1 19 . 1 1 75 75 LEU N N 66 121.304 121.304 121.311 -0.007 18223
8611 1 19 . 1 1 75 75 LEU C C 66 179.060 179.060 178.246 0.814 18223
8612 1 19 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.431 -0.631 18223
8613 1 19 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.734 -0.435 18223
8614 1 19 . 1 1 75 75 LEU H H 66 8.326 8.326 8.450 -0.124 18223
8615 1 19 . 1 1 76 76 ALA N N 67 120.420 120.420 119.031 1.389 18223
8616 1 19 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.861 0.535 18223
8617 1 19 . 1 1 76 76 ALA C C 67 180.180 180.180 179.698 0.482 18223
8618 1 19 . 1 1 76 76 ALA CA C 67 54.590 54.590 54.987 -0.397 18223
8619 1 19 . 1 1 76 76 ALA H H 67 8.283 8.283 7.938 0.345 18223
8620 1 19 . 1 1 77 77 THR N N 68 111.152 111.152 115.849 -4.697 18223
8621 1 19 . 1 1 77 77 THR C C 68 175.830 175.830 176.648 -0.818 18223
8622 1 19 . 1 1 77 77 THR CA C 68 64.159 64.159 66.780 -2.621 18223
8623 1 19 . 1 1 77 77 THR CB C 68 69.711 69.711 68.237 1.474 18223
8624 1 19 . 1 1 77 77 THR H H 68 7.951 7.951 7.933 0.018 18223
8625 1 19 . 1 1 78 78 SER N N 69 117.883 117.883 116.509 1.374 18223
8626 1 19 . 1 1 78 78 SER C C 69 176.000 176.000 176.869 -0.869 18223
8627 1 19 . 1 1 78 78 SER CA C 69 60.730 60.730 61.160 -0.430 18223
8628 1 19 . 1 1 78 78 SER H H 69 7.839 7.839 8.125 -0.286 18223
8629 1 19 . 1 1 79 79 GLY N N 70 111.078 111.078 109.715 1.363 18223
8630 1 19 . 1 1 79 79 GLY C C 70 175.830 175.830 176.195 -0.365 18223
8631 1 19 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.492 -0.782 18223
8632 1 19 . 1 1 79 79 GLY H H 70 8.269 8.269 8.039 0.230 18223
8633 1 19 . 1 1 80 80 THR N N 71 117.727 117.727 119.367 -1.640 18223
8634 1 19 . 1 1 80 80 THR C C 71 176.110 176.110 176.457 -0.347 18223
8635 1 19 . 1 1 80 80 THR CA C 71 66.178 66.178 65.936 0.242 18223
8636 1 19 . 1 1 80 80 THR CB C 71 68.630 68.630 68.618 0.012 18223
8637 1 19 . 1 1 80 80 THR H H 71 7.823 7.823 7.823 -0.000 18223
8638 1 19 . 1 1 81 81 LEU N N 72 121.422 121.422 121.755 -0.333 18223
8639 1 19 . 1 1 81 81 LEU C C 72 178.620 178.620 178.238 0.382 18223
8640 1 19 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.848 -1.158 18223
8641 1 19 . 1 1 81 81 LEU H H 72 7.846 7.846 8.373 -0.527 18223
8642 1 19 . 1 1 82 82 ALA N N 73 121.160 121.160 118.758 2.402 18223
8643 1 19 . 1 1 82 82 ALA C C 73 180.440 180.440 180.109 0.331 18223
8644 1 19 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.054 1.126 18223
8645 1 19 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.468 -0.603 18223
8646 1 19 . 1 1 82 82 ALA H H 73 8.050 8.050 8.152 -0.102 18223
8647 1 19 . 1 1 83 83 GLY N N 74 106.017 106.017 109.214 -3.197 18223
8648 1 19 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.940 0.070 18223
8649 1 19 . 1 1 83 83 GLY H H 74 8.132 8.132 7.750 0.382 18223
8650 1 19 . 1 1 84 84 ILE N N 75 122.030 122.030 116.357 5.673 18223
8651 1 19 . 1 1 84 84 ILE C C 75 178.530 178.530 176.666 1.864 18223
8652 1 19 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.659 1.071 18223
8653 1 19 . 1 1 84 84 ILE CB C 75 37.767 37.767 37.892 -0.125 18223
8654 1 19 . 1 1 84 84 ILE H H 75 7.930 7.930 7.794 0.136 18223
8655 1 19 . 1 1 85 85 MET N N 76 117.920 117.920 118.864 -0.944 18223
8656 1 19 . 1 1 85 85 MET CA C 76 57.810 57.810 54.624 3.186 18223
8657 1 19 . 1 1 85 85 MET H H 76 8.140 8.140 7.554 0.586 18223
8658 1 19 . 1 1 86 86 GLY N N 77 109.118 109.118 105.124 3.994 18223
8659 1 19 . 1 1 86 86 GLY CA C 77 45.771 45.771 43.937 1.834 18223
8660 1 19 . 1 1 86 86 GLY H H 77 7.920 7.920 8.360 -0.440 18223
8661 1 19 . 1 1 87 87 MET N N 78 119.220 119.220 116.152 3.068 18223
8662 1 19 . 1 1 87 87 MET CA C 78 55.810 55.810 56.574 -0.764 18223
8663 1 19 . 1 1 87 87 MET H H 78 7.950 7.950 8.244 -0.294 18223
8664 1 19 . 1 1 88 88 ARG N N 79 120.090 120.090 122.219 -2.129 18223
8665 1 19 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.043 -4.043 18223
8666 1 19 . 1 1 88 88 ARG H H 79 8.000 8.000 8.353 -0.353 18223
8667 1 19 . 1 1 90 90 TYR C C 81 176.310 176.310 174.503 1.807 18223
8668 1 19 . 1 1 91 91 HIS N N 82 118.270 118.270 123.719 -5.449 18223
8669 1 19 . 1 1 91 91 HIS C C 82 174.940 174.940 173.810 1.130 18223
8670 1 19 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.536 -0.687 18223
8671 1 19 . 1 1 91 91 HIS H H 82 8.130 8.130 7.980 0.150 18223
8672 1 19 . 1 1 92 92 SER N N 83 115.818 115.818 115.502 0.316 18223
8673 1 19 . 1 1 92 92 SER C C 83 175.470 175.470 174.717 0.753 18223
8674 1 19 . 1 1 92 92 SER CA C 83 59.430 59.430 57.921 1.509 18223
8675 1 19 . 1 1 92 92 SER CB C 83 63.870 63.870 64.411 -0.541 18223
8676 1 19 . 1 1 92 92 SER H H 83 8.007 8.007 8.502 -0.495 18223
8677 1 19 . 1 1 93 93 GLY N N 84 110.518 110.518 111.039 -0.521 18223
8678 1 19 . 1 1 93 93 GLY C C 84 174.740 174.740 173.954 0.786 18223
8679 1 19 . 1 1 93 93 GLY CA C 84 45.930 45.930 46.312 -0.382 18223
8680 1 19 . 1 1 93 93 GLY H H 84 8.099 8.099 8.682 -0.583 18223
8681 1 19 . 1 1 94 94 LYS N N 85 120.088 120.088 118.209 1.879 18223
8682 1 19 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.945 -0.502 18223
8683 1 19 . 1 1 94 94 LYS CB C 85 32.359 32.359 33.227 -0.868 18223
8684 1 19 . 1 1 94 94 LYS H H 85 7.810 7.810 7.636 0.174 18223
8685 1 19 . 1 1 95 95 PHE N N 86 118.766 118.766 118.273 0.493 18223
8686 1 19 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.869 -1.059 18223
8687 1 19 . 1 1 95 95 PHE CB C 86 39.281 39.281 40.755 -1.474 18223
8688 1 19 . 1 1 95 95 PHE H H 86 7.911 7.911 7.901 0.010 18223
8689 1 19 . 1 1 96 96 MET N N 87 120.600 120.600 120.399 0.201 18223
8690 1 19 . 1 1 96 96 MET CA C 87 53.150 53.150 54.226 -1.076 18223
8691 1 19 . 1 1 96 96 MET H H 87 7.670 7.670 8.007 -0.337 18223
8692 1 19 . 1 1 97 97 PRO C C 88 176.820 176.820 176.171 0.649 18223
8693 1 19 . 1 1 98 98 ALA N N 89 124.300 124.300 121.508 2.792 18223
8694 1 19 . 1 1 98 98 ALA C C 89 179.480 179.480 176.889 2.591 18223
8695 1 19 . 1 1 98 98 ALA CA C 89 53.390 53.390 51.987 1.403 18223
8696 1 19 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.617 -0.815 18223
8697 1 19 . 1 1 98 98 ALA H H 89 8.302 8.302 7.998 0.304 18223
8698 1 19 . 1 1 99 99 GLY N N 90 107.011 107.011 107.893 -0.882 18223
8699 1 19 . 1 1 99 99 GLY C C 90 174.920 174.920 174.896 0.024 18223
8700 1 19 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.309 1.571 18223
8701 1 19 . 1 1 99 99 GLY H H 90 8.341 8.341 8.001 0.340 18223
8702 1 19 . 1 1 100 100 LEU N N 91 120.873 120.873 122.206 -1.333 18223
8703 1 19 . 1 1 100 100 LEU C C 91 177.250 177.250 179.121 -1.871 18223
8704 1 19 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.588 -1.488 18223
8705 1 19 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.066 0.028 18223
8706 1 19 . 1 1 100 100 LEU H H 91 7.732 7.732 8.478 -0.746 18223
8707 1 19 . 1 1 101 101 ILE N N 92 118.245 118.245 119.831 -1.586 18223
8708 1 19 . 1 1 101 101 ILE C C 92 177.130 177.130 177.424 -0.294 18223
8709 1 19 . 1 1 101 101 ILE CA C 92 60.914 60.914 65.104 -4.190 18223
8710 1 19 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.301 0.827 18223
8711 1 19 . 1 1 101 101 ILE H H 92 7.668 7.668 7.878 -0.210 18223
8712 1 19 . 1 1 102 102 ALA N N 93 127.523 127.523 121.132 6.391 18223
8713 1 19 . 1 1 102 102 ALA C C 93 179.370 179.370 179.644 -0.274 18223
8714 1 19 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.215 -2.377 18223
8715 1 19 . 1 1 102 102 ALA CB C 93 19.019 19.019 18.097 0.922 18223
8716 1 19 . 1 1 102 102 ALA H H 93 8.110 8.110 8.261 -0.151 18223
8717 1 19 . 1 1 103 103 GLY N N 94 109.013 109.013 106.650 2.363 18223
8718 1 19 . 1 1 103 103 GLY C C 94 175.290 175.290 175.765 -0.475 18223
8719 1 19 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.970 -1.550 18223
8720 1 19 . 1 1 103 103 GLY H H 94 8.180 8.180 8.035 0.145 18223
8721 1 19 . 1 1 104 104 ALA N N 95 123.130 123.130 124.589 -1.459 18223
8722 1 19 . 1 1 104 104 ALA C C 95 180.040 180.040 179.715 0.325 18223
8723 1 19 . 1 1 104 104 ALA H H 95 8.230 8.230 8.221 0.009 18223
8724 1 19 . 1 1 105 105 SER N N 96 114.606 114.606 114.536 0.070 18223
8725 1 19 . 1 1 105 105 SER C C 96 176.140 176.140 176.617 -0.477 18223
8726 1 19 . 1 1 105 105 SER H H 96 7.915 7.915 7.937 -0.022 18223
8727 1 19 . 1 1 106 106 LEU N N 97 122.651 122.651 122.366 0.285 18223
8728 1 19 . 1 1 106 106 LEU C C 97 179.140 179.140 178.736 0.404 18223
8729 1 19 . 1 1 106 106 LEU H H 97 8.066 8.066 8.146 -0.080 18223
8730 1 19 . 1 1 108 108 MET N N 99 118.381 118.381 118.740 -0.359 18223
8731 1 19 . 1 1 108 108 MET C C 99 178.830 178.830 178.207 0.623 18223
8732 1 19 . 1 1 108 108 MET CA C 99 58.730 58.730 59.880 -1.150 18223
8733 1 19 . 1 1 108 108 MET H H 99 7.682 7.682 8.313 -0.631 18223
8734 1 19 . 1 1 109 109 VAL N N 100 118.713 118.713 116.917 1.796 18223
8735 1 19 . 1 1 109 109 VAL C C 100 177.930 177.930 177.631 0.299 18223
8736 1 19 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.329 -0.099 18223
8737 1 19 . 1 1 109 109 VAL H H 100 7.821 7.821 8.084 -0.263 18223
8738 1 19 . 1 1 110 110 ALA N N 101 122.160 122.160 122.484 -0.324 18223
8739 1 19 . 1 1 110 110 ALA C C 101 180.470 180.470 179.407 1.063 18223
8740 1 19 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.176 0.164 18223
8741 1 19 . 1 1 110 110 ALA H H 101 8.110 8.110 8.321 -0.211 18223
8742 1 19 . 1 1 111 111 LYS N N 102 120.260 120.260 117.547 2.713 18223
8743 1 19 . 1 1 111 111 LYS C C 102 177.490 177.490 177.904 -0.414 18223
8744 1 19 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.077 -1.587 18223
8745 1 19 . 1 1 111 111 LYS H H 102 7.870 7.870 7.634 0.236 18223
8746 1 19 . 1 1 112 112 VAL N N 103 120.410 120.410 115.915 4.495 18223
8747 1 19 . 1 1 112 112 VAL C C 103 176.240 176.240 177.701 -1.461 18223
8748 1 19 . 1 1 112 112 VAL CA C 103 65.720 65.720 64.622 1.098 18223
8749 1 19 . 1 1 112 112 VAL H H 103 7.990 7.990 7.682 0.308 18223
8750 1 19 . 1 1 113 113 GLY N N 104 108.926 108.926 107.482 1.444 18223
8751 1 19 . 1 1 113 113 GLY C C 104 175.150 175.150 174.828 0.322 18223
8752 1 19 . 1 1 113 113 GLY CA C 104 47.650 47.650 45.606 2.044 18223
8753 1 19 . 1 1 113 113 GLY H H 104 8.477 8.477 7.762 0.715 18223
8754 1 19 . 1 1 114 114 VAL N N 105 119.350 119.350 119.988 -0.638 18223
8755 1 19 . 1 1 114 114 VAL C C 105 178.390 178.390 175.130 3.260 18223
8756 1 19 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.047 4.093 18223
8757 1 19 . 1 1 114 114 VAL H H 105 8.310 8.310 8.125 0.185 18223
8758 1 19 . 1 1 115 115 SER N N 106 115.964 115.964 115.711 0.253 18223
8759 1 19 . 1 1 115 115 SER C C 106 177.250 177.250 174.072 3.178 18223
8760 1 19 . 1 1 115 115 SER CA C 106 61.130 61.130 59.763 1.367 18223
8761 1 19 . 1 1 115 115 SER H H 106 7.815 7.815 8.089 -0.274 18223
8762 1 19 . 1 1 116 116 MET N N 107 120.190 120.190 119.436 0.754 18223
8763 1 19 . 1 1 116 116 MET C C 107 177.190 177.190 176.030 1.160 18223
8764 1 19 . 1 1 116 116 MET CA C 107 57.450 57.450 56.334 1.117 18223
8765 1 19 . 1 1 116 116 MET H H 107 7.820 7.820 8.481 -0.661 18223
8766 1 19 . 1 1 117 117 PHE N N 108 117.325 117.325 119.998 -2.673 18223
8767 1 19 . 1 1 117 117 PHE C C 108 175.740 175.740 173.764 1.976 18223
8768 1 19 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.735 0.135 18223
8769 1 19 . 1 1 117 117 PHE H H 108 7.735 7.735 8.053 -0.318 18223
8770 1 19 . 1 1 118 118 ASN N N 109 118.878 118.878 119.777 -0.899 18223
8771 1 19 . 1 1 118 118 ASN C C 109 174.830 174.830 173.312 1.518 18223
8772 1 19 . 1 1 118 118 ASN CA C 109 53.060 53.060 52.434 0.626 18223
8773 1 19 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.972 0.092 18223
8774 1 19 . 1 1 118 118 ASN H H 109 7.907 7.907 7.118 0.789 18223
8775 1 19 . 1 1 119 119 ARG N N 110 122.870 122.870 122.949 -0.079 18223
8776 1 19 . 1 1 119 119 ARG CA C 110 54.150 54.150 54.629 -0.479 18223
8777 1 19 . 1 1 119 119 ARG H H 110 7.894 7.894 7.872 0.022 18223
8778 1 19 . 1 1 120 120 PRO C C 111 176.590 176.590 175.985 0.605 18223
8779 1 20 . 1 1 11 11 GLN C C 2 176.170 176.170 174.983 1.187 18223
8780 1 20 . 1 1 12 12 ASP N N 3 120.369 120.369 117.025 3.344 18223
8781 1 20 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.770 -0.620 18223
8782 1 20 . 1 1 12 12 ASP C C 3 176.980 176.980 174.802 2.178 18223
8783 1 20 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.057 0.780 18223
8784 1 20 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.922 -1.126 18223
8785 1 20 . 1 1 12 12 ASP H H 3 8.275 8.275 7.766 0.509 18223
8786 1 20 . 1 1 13 13 THR N N 4 114.220 114.220 113.914 0.306 18223
8787 1 20 . 1 1 13 13 THR HA H 4 4.636 4.636 4.049 0.587 18223
8788 1 20 . 1 1 13 13 THR C C 4 175.530 175.530 173.851 1.679 18223
8789 1 20 . 1 1 13 13 THR CA C 4 62.790 62.790 62.567 0.223 18223
8790 1 20 . 1 1 13 13 THR CB C 4 69.134 69.134 69.395 -0.261 18223
8791 1 20 . 1 1 13 13 THR H H 4 7.990 7.990 8.074 -0.084 18223
8792 1 20 . 1 1 14 14 SER N N 5 117.664 117.664 116.567 1.097 18223
8793 1 20 . 1 1 14 14 SER HA H 5 4.296 4.296 4.308 -0.012 18223
8794 1 20 . 1 1 14 14 SER C C 5 175.200 175.200 175.314 -0.114 18223
8795 1 20 . 1 1 14 14 SER CA C 5 59.443 59.443 59.574 -0.131 18223
8796 1 20 . 1 1 14 14 SER CB C 5 63.438 63.438 63.301 0.137 18223
8797 1 20 . 1 1 14 14 SER H H 5 8.255 8.255 8.403 -0.148 18223
8798 1 20 . 1 1 15 15 SER N N 6 117.093 117.093 124.063 -6.970 18223
8799 1 20 . 1 1 15 15 SER HA H 6 4.317 4.317 4.371 -0.054 18223
8800 1 20 . 1 1 15 15 SER C C 6 174.770 174.770 174.944 -0.174 18223
8801 1 20 . 1 1 15 15 SER CA C 6 58.737 58.737 58.350 0.387 18223
8802 1 20 . 1 1 15 15 SER CB C 6 63.656 63.656 62.125 1.531 18223
8803 1 20 . 1 1 15 15 SER H H 6 8.050 8.050 8.982 -0.932 18223
8804 1 20 . 1 1 16 16 VAL N N 7 119.995 119.995 116.868 3.127 18223
8805 1 20 . 1 1 16 16 VAL C C 7 176.150 176.150 173.562 2.588 18223
8806 1 20 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.654 -0.911 18223
8807 1 20 . 1 1 16 16 VAL CB C 7 32.215 32.215 30.383 1.832 18223
8808 1 20 . 1 1 16 16 VAL H H 7 7.775 7.775 8.954 -1.179 18223
8809 1 20 . 1 1 17 17 VAL N N 8 121.090 121.090 117.928 3.162 18223
8810 1 20 . 1 1 17 17 VAL CA C 8 60.910 60.910 60.517 0.393 18223
8811 1 20 . 1 1 17 17 VAL H H 8 7.730 7.730 7.544 0.186 18223
8812 1 20 . 1 1 18 18 PRO C C 9 178.410 178.410 177.674 0.736 18223
8813 1 20 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.334 1.177 18223
8814 1 20 . 1 1 19 19 LEU N N 10 121.410 121.410 122.565 -1.155 18223
8815 1 20 . 1 1 19 19 LEU C C 10 178.910 178.910 178.915 -0.005 18223
8816 1 20 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.687 -2.837 18223
8817 1 20 . 1 1 19 19 LEU CB C 10 41.445 41.445 42.016 -0.570 18223
8818 1 20 . 1 1 19 19 LEU H H 10 7.930 7.930 8.714 -0.784 18223
8819 1 20 . 1 1 20 20 HIS N N 11 116.900 116.900 116.350 0.550 18223
8820 1 20 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.345 0.286 18223
8821 1 20 . 1 1 20 20 HIS C C 11 174.990 174.990 177.826 -2.836 18223
8822 1 20 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.798 -3.798 18223
8823 1 20 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.153 -1.193 18223
8824 1 20 . 1 1 20 20 HIS H H 11 8.384 8.384 8.318 0.066 18223
8825 1 20 . 1 1 21 21 TRP C C 12 177.660 177.660 178.998 -1.338 18223
8826 1 20 . 1 1 22 22 PHE N N 13 119.238 119.238 118.044 1.194 18223
8827 1 20 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.109 0.179 18223
8828 1 20 . 1 1 22 22 PHE C C 13 177.410 177.410 177.898 -0.488 18223
8829 1 20 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.684 -1.986 18223
8830 1 20 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.733 -0.389 18223
8831 1 20 . 1 1 22 22 PHE H H 13 7.883 7.883 9.344 -1.461 18223
8832 1 20 . 1 1 23 23 GLY N N 14 107.209 107.209 106.733 0.476 18223
8833 1 20 . 1 1 23 23 GLY C C 14 176.220 176.220 176.300 -0.080 18223
8834 1 20 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.509 -0.429 18223
8835 1 20 . 1 1 23 23 GLY H H 14 7.911 7.911 8.321 -0.410 18223
8836 1 20 . 1 1 24 24 PHE N N 15 121.880 121.880 122.672 -0.792 18223
8837 1 20 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.429 -0.016 18223
8838 1 20 . 1 1 24 24 PHE C C 15 177.840 177.840 178.406 -0.566 18223
8839 1 20 . 1 1 24 24 PHE CA C 15 60.090 60.090 61.322 -1.232 18223
8840 1 20 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.307 -0.459 18223
8841 1 20 . 1 1 24 24 PHE H H 15 7.900 7.900 8.551 -0.651 18223
8842 1 20 . 1 1 25 25 GLY N N 16 107.640 107.640 108.241 -0.601 18223
8843 1 20 . 1 1 25 25 GLY C C 16 174.910 174.910 175.685 -0.775 18223
8844 1 20 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.310 0.020 18223
8845 1 20 . 1 1 25 25 GLY H H 16 8.320 8.320 9.016 -0.696 18223
8846 1 20 . 1 1 26 26 TYR N N 17 121.804 121.804 123.696 -1.892 18223
8847 1 20 . 1 1 26 26 TYR C C 17 177.120 177.120 177.523 -0.403 18223
8848 1 20 . 1 1 26 26 TYR CA C 17 61.670 61.670 62.204 -0.534 18223
8849 1 20 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.680 -0.279 18223
8850 1 20 . 1 1 26 26 TYR H H 17 8.365 8.365 8.716 -0.351 18223
8851 1 20 . 1 1 27 27 ALA N N 18 120.785 120.785 120.585 0.200 18223
8852 1 20 . 1 1 27 27 ALA HA H 18 3.883 3.883 4.027 -0.144 18223
8853 1 20 . 1 1 27 27 ALA C C 18 178.790 178.790 179.186 -0.396 18223
8854 1 20 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.075 -0.035 18223
8855 1 20 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.977 -0.256 18223
8856 1 20 . 1 1 27 27 ALA H H 18 7.949 7.949 8.360 -0.411 18223
8857 1 20 . 1 1 28 28 ALA N N 19 120.210 120.210 121.552 -1.342 18223
8858 1 20 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.831 0.019 18223
8859 1 20 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.356 -0.635 18223
8860 1 20 . 1 1 28 28 ALA H H 19 7.870 7.870 8.209 -0.339 18223
8861 1 20 . 1 1 29 29 LEU N N 20 120.090 120.090 120.208 -0.118 18223
8862 1 20 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.105 -6.105 18223
8863 1 20 . 1 1 29 29 LEU H H 20 8.000 8.000 8.100 -0.100 18223
8864 1 20 . 1 1 30 30 VAL N N 21 118.299 118.299 119.162 -0.863 18223
8865 1 20 . 1 1 30 30 VAL C C 21 178.920 178.920 178.078 0.842 18223
8866 1 20 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.755 -1.135 18223
8867 1 20 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.172 0.105 18223
8868 1 20 . 1 1 30 30 VAL H H 21 7.947 7.947 7.970 -0.023 18223
8869 1 20 . 1 1 31 31 ALA N N 22 122.600 122.600 120.041 2.559 18223
8870 1 20 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.952 0.221 18223
8871 1 20 . 1 1 31 31 ALA C C 22 179.540 179.540 179.448 0.092 18223
8872 1 20 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.234 -1.026 18223
8873 1 20 . 1 1 31 31 ALA CB C 22 18.442 18.442 18.062 0.380 18223
8874 1 20 . 1 1 31 31 ALA H H 22 7.819 7.819 8.048 -0.229 18223
8875 1 20 . 1 1 32 32 SER N N 23 113.502 113.502 115.255 -1.753 18223
8876 1 20 . 1 1 32 32 SER HA H 23 4.015 4.015 4.041 -0.026 18223
8877 1 20 . 1 1 32 32 SER C C 23 175.890 175.890 176.836 -0.946 18223
8878 1 20 . 1 1 32 32 SER CA C 23 60.490 60.490 61.824 -1.334 18223
8879 1 20 . 1 1 32 32 SER CB C 23 63.510 63.510 62.766 0.744 18223
8880 1 20 . 1 1 32 32 SER H H 23 7.826 7.826 8.394 -0.568 18223
8881 1 20 . 1 1 33 33 GLY N N 24 109.939 109.939 109.454 0.485 18223
8882 1 20 . 1 1 33 33 GLY C C 24 176.180 176.180 175.546 0.634 18223
8883 1 20 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.896 -0.246 18223
8884 1 20 . 1 1 33 33 GLY H H 24 7.985 7.985 8.267 -0.282 18223
8885 1 20 . 1 1 34 34 GLY N N 25 109.396 109.396 110.215 -0.819 18223
8886 1 20 . 1 1 34 34 GLY C C 25 175.330 175.330 176.101 -0.771 18223
8887 1 20 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.901 -0.732 18223
8888 1 20 . 1 1 34 34 GLY H H 25 8.235 8.235 7.845 0.390 18223
8889 1 20 . 1 1 35 35 ILE N N 26 120.211 120.211 123.052 -2.841 18223
8890 1 20 . 1 1 35 35 ILE C C 26 177.400 177.400 178.471 -1.071 18223
8891 1 20 . 1 1 35 35 ILE CA C 26 63.830 63.830 63.789 0.041 18223
8892 1 20 . 1 1 35 35 ILE CB C 26 37.839 37.839 37.466 0.373 18223
8893 1 20 . 1 1 35 35 ILE H H 26 7.998 7.998 8.024 -0.026 18223
8894 1 20 . 1 1 36 36 ILE N N 27 120.051 120.051 119.174 0.877 18223
8895 1 20 . 1 1 36 36 ILE C C 27 177.900 177.900 177.528 0.372 18223
8896 1 20 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.970 -1.120 18223
8897 1 20 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.794 0.037 18223
8898 1 20 . 1 1 36 36 ILE H H 27 7.998 7.998 8.718 -0.720 18223
8899 1 20 . 1 1 37 37 GLY N N 28 107.531 107.531 107.471 0.060 18223
8900 1 20 . 1 1 37 37 GLY C C 28 176.120 176.120 176.429 -0.309 18223
8901 1 20 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.450 0.350 18223
8902 1 20 . 1 1 37 37 GLY H H 28 7.983 7.983 7.470 0.513 18223
8903 1 20 . 1 1 38 38 TYR N N 29 120.900 120.900 121.595 -0.695 18223
8904 1 20 . 1 1 38 38 TYR C C 29 176.530 176.530 177.798 -1.268 18223
8905 1 20 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.473 -0.743 18223
8906 1 20 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.609 -0.121 18223
8907 1 20 . 1 1 38 38 TYR H H 29 7.726 7.726 8.100 -0.374 18223
8908 1 20 . 1 1 39 39 VAL N N 30 117.958 117.958 114.845 3.113 18223
8909 1 20 . 1 1 39 39 VAL C C 30 177.600 177.600 176.721 0.879 18223
8910 1 20 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.023 0.352 18223
8911 1 20 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.544 -1.123 18223
8912 1 20 . 1 1 39 39 VAL H H 30 7.849 7.849 8.411 -0.562 18223
8913 1 20 . 1 1 40 40 LYS N N 31 120.116 120.116 117.591 2.525 18223
8914 1 20 . 1 1 40 40 LYS C C 31 177.090 177.090 174.729 2.361 18223
8915 1 20 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.155 -0.385 18223
8916 1 20 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.630 0.585 18223
8917 1 20 . 1 1 40 40 LYS H H 31 8.072 8.072 7.655 0.417 18223
8918 1 20 . 1 1 41 41 ALA N N 32 122.082 122.082 120.670 1.412 18223
8919 1 20 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.390 -0.149 18223
8920 1 20 . 1 1 41 41 ALA C C 32 178.780 178.780 175.988 2.792 18223
8921 1 20 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.576 0.684 18223
8922 1 20 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.154 -0.424 18223
8923 1 20 . 1 1 41 41 ALA H H 32 7.786 7.786 7.791 -0.005 18223
8924 1 20 . 1 1 42 42 GLY N N 33 106.746 106.746 108.373 -1.627 18223
8925 1 20 . 1 1 42 42 GLY C C 33 174.790 174.790 174.306 0.484 18223
8926 1 20 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.045 0.775 18223
8927 1 20 . 1 1 42 42 GLY H H 33 7.964 7.964 8.368 -0.404 18223
8928 1 20 . 1 1 43 43 SER N N 34 115.541 115.541 114.642 0.899 18223
8929 1 20 . 1 1 43 43 SER HA H 34 4.491 4.491 4.968 -0.477 18223
8930 1 20 . 1 1 43 43 SER C C 34 174.920 174.920 173.917 1.003 18223
8931 1 20 . 1 1 43 43 SER CA C 34 58.730 58.730 57.810 0.920 18223
8932 1 20 . 1 1 43 43 SER CB C 34 63.798 63.798 65.918 -2.120 18223
8933 1 20 . 1 1 43 43 SER H H 34 8.049 8.049 8.155 -0.106 18223
8934 1 20 . 1 1 44 44 VAL N N 35 121.887 121.887 118.479 3.408 18223
8935 1 20 . 1 1 44 44 VAL CA C 35 65.330 65.330 63.753 1.577 18223
8936 1 20 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.974 -1.644 18223
8937 1 20 . 1 1 44 44 VAL H H 35 8.332 8.332 8.277 0.055 18223
8938 1 20 . 1 1 46 46 SER N N 37 113.762 113.762 113.974 -0.212 18223
8939 1 20 . 1 1 46 46 SER CA C 37 61.130 61.130 61.232 -0.102 18223
8940 1 20 . 1 1 46 46 SER CB C 37 62.789 62.789 62.980 -0.191 18223
8941 1 20 . 1 1 46 46 SER H H 37 7.924 7.924 7.954 -0.030 18223
8942 1 20 . 1 1 47 47 LEU N N 38 124.450 124.450 121.885 2.565 18223
8943 1 20 . 1 1 47 47 LEU C C 38 176.440 176.440 178.181 -1.741 18223
8944 1 20 . 1 1 47 47 LEU CA C 38 57.360 57.360 58.016 -0.655 18223
8945 1 20 . 1 1 47 47 LEU CB C 38 41.805 41.805 42.062 -0.257 18223
8946 1 20 . 1 1 47 47 LEU H H 38 8.108 8.108 7.467 0.641 18223
8947 1 20 . 1 1 48 48 ALA N N 39 121.290 121.290 120.280 1.010 18223
8948 1 20 . 1 1 48 48 ALA CA C 39 54.610 54.610 54.975 -0.365 18223
8949 1 20 . 1 1 48 48 ALA H H 39 8.250 8.250 7.819 0.431 18223
8950 1 20 . 1 1 49 49 ALA N N 40 120.070 120.070 119.606 0.464 18223
8951 1 20 . 1 1 49 49 ALA C C 40 179.910 179.910 179.708 0.202 18223
8952 1 20 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.779 0.331 18223
8953 1 20 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.357 -0.276 18223
8954 1 20 . 1 1 49 49 ALA H H 40 8.145 8.145 8.123 0.022 18223
8955 1 20 . 1 1 50 50 GLY N N 41 104.977 104.977 107.616 -2.639 18223
8956 1 20 . 1 1 50 50 GLY C C 41 174.870 174.870 175.741 -0.871 18223
8957 1 20 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.651 0.274 18223
8958 1 20 . 1 1 50 50 GLY H H 41 8.103 8.103 7.920 0.183 18223
8959 1 20 . 1 1 51 51 LEU N N 42 122.431 122.431 122.249 0.182 18223
8960 1 20 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.717 -0.387 18223
8961 1 20 . 1 1 51 51 LEU CB C 42 41.805 41.805 42.197 -0.392 18223
8962 1 20 . 1 1 51 51 LEU H H 42 7.796 7.796 7.783 0.013 18223
8963 1 20 . 1 1 52 52 LEU N N 43 119.483 119.483 119.865 -0.382 18223
8964 1 20 . 1 1 52 52 LEU C C 43 179.910 179.910 179.129 0.781 18223
8965 1 20 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.343 -0.573 18223
8966 1 20 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.154 0.218 18223
8967 1 20 . 1 1 52 52 LEU H H 43 7.862 7.862 7.980 -0.118 18223
8968 1 20 . 1 1 53 53 PHE N N 44 117.117 117.117 118.232 -1.115 18223
8969 1 20 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.295 0.076 18223
8970 1 20 . 1 1 53 53 PHE C C 44 178.530 178.530 177.789 0.741 18223
8971 1 20 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.102 -0.952 18223
8972 1 20 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.654 -0.526 18223
8973 1 20 . 1 1 53 53 PHE H H 44 8.343 8.343 8.405 -0.062 18223
8974 1 20 . 1 1 54 54 GLY N N 45 107.605 107.605 108.094 -0.489 18223
8975 1 20 . 1 1 54 54 GLY C C 45 176.400 176.400 175.973 0.427 18223
8976 1 20 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.343 -0.593 18223
8977 1 20 . 1 1 54 54 GLY H H 45 8.150 8.150 7.823 0.327 18223
8978 1 20 . 1 1 55 55 SER N N 46 117.713 117.713 118.765 -1.052 18223
8979 1 20 . 1 1 55 55 SER C C 46 176.130 176.130 176.326 -0.196 18223
8980 1 20 . 1 1 55 55 SER CA C 46 61.240 61.240 61.747 -0.507 18223
8981 1 20 . 1 1 55 55 SER CB C 46 63.294 63.294 63.239 0.055 18223
8982 1 20 . 1 1 55 55 SER H H 46 7.942 7.942 7.850 0.092 18223
8983 1 20 . 1 1 56 56 LEU N N 47 121.618 121.618 122.116 -0.498 18223
8984 1 20 . 1 1 56 56 LEU C C 47 178.510 178.510 177.143 1.367 18223
8985 1 20 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.785 -1.024 18223
8986 1 20 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.730 -0.574 18223
8987 1 20 . 1 1 56 56 LEU H H 47 7.910 7.910 7.936 -0.026 18223
8988 1 20 . 1 1 57 57 ALA N N 48 121.557 121.557 120.633 0.924 18223
8989 1 20 . 1 1 57 57 ALA C C 48 180.040 180.040 179.463 0.577 18223
8990 1 20 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.880 -0.330 18223
8991 1 20 . 1 1 57 57 ALA CB C 48 18.081 18.081 17.957 0.124 18223
8992 1 20 . 1 1 57 57 ALA H H 48 7.878 7.878 7.856 0.022 18223
8993 1 20 . 1 1 58 58 GLY N N 49 106.435 106.435 107.650 -1.215 18223
8994 1 20 . 1 1 58 58 GLY C C 49 175.740 175.740 175.572 0.168 18223
8995 1 20 . 1 1 58 58 GLY CA C 49 46.280 46.280 46.739 -0.459 18223
8996 1 20 . 1 1 58 58 GLY H H 49 8.085 8.085 8.017 0.068 18223
8997 1 20 . 1 1 59 59 LEU N N 50 121.230 121.230 121.861 -0.631 18223
8998 1 20 . 1 1 59 59 LEU C C 50 178.390 178.390 179.936 -1.546 18223
8999 1 20 . 1 1 59 59 LEU CA C 50 56.430 56.430 58.091 -1.661 18223
9000 1 20 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.368 0.293 18223
9001 1 20 . 1 1 59 59 LEU H H 50 7.770 7.770 8.365 -0.595 18223
9002 1 20 . 1 1 60 60 GLY N N 51 106.525 106.525 106.197 0.328 18223
9003 1 20 . 1 1 60 60 GLY C C 51 174.820 174.820 175.713 -0.893 18223
9004 1 20 . 1 1 60 60 GLY CA C 51 46.290 46.290 46.962 -0.672 18223
9005 1 20 . 1 1 60 60 GLY H H 51 8.090 8.090 7.489 0.601 18223
9006 1 20 . 1 1 61 61 ALA N N 52 122.773 122.773 125.133 -2.360 18223
9007 1 20 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.063 0.039 18223
9008 1 20 . 1 1 61 61 ALA C C 52 178.320 178.320 177.307 1.013 18223
9009 1 20 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.896 -0.476 18223
9010 1 20 . 1 1 61 61 ALA CB C 52 18.442 18.442 19.361 -0.919 18223
9011 1 20 . 1 1 61 61 ALA H H 52 7.819 7.819 7.846 -0.027 18223
9012 1 20 . 1 1 62 62 TYR N N 53 118.481 118.481 111.900 6.581 18223
9013 1 20 . 1 1 62 62 TYR C C 53 176.390 176.390 173.599 2.791 18223
9014 1 20 . 1 1 62 62 TYR CA C 53 59.000 59.000 56.025 2.975 18223
9015 1 20 . 1 1 62 62 TYR CB C 53 38.344 38.344 36.872 1.472 18223
9016 1 20 . 1 1 62 62 TYR H H 53 7.794 7.794 7.174 0.620 18223
9017 1 20 . 1 1 63 63 GLN N N 54 120.770 120.770 121.675 -0.905 18223
9018 1 20 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.826 -0.266 18223
9019 1 20 . 1 1 63 63 GLN CB C 54 28.648 28.648 29.945 -1.297 18223
9020 1 20 . 1 1 63 63 GLN H H 54 8.033 8.033 8.293 -0.260 18223
9021 1 20 . 1 1 64 64 LEU N N 55 121.847 121.847 118.752 3.095 18223
9022 1 20 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.527 -0.357 18223
9023 1 20 . 1 1 64 64 LEU C C 55 177.790 177.790 175.714 2.076 18223
9024 1 20 . 1 1 64 64 LEU CA C 55 56.010 56.010 54.587 1.423 18223
9025 1 20 . 1 1 64 64 LEU CB C 55 41.805 41.805 43.367 -1.562 18223
9026 1 20 . 1 1 64 64 LEU H H 55 8.018 8.018 7.696 0.322 18223
9027 1 20 . 1 1 65 65 SER N N 56 113.937 113.937 113.583 0.354 18223
9028 1 20 . 1 1 65 65 SER C C 56 174.710 174.710 173.742 0.968 18223
9029 1 20 . 1 1 65 65 SER CA C 56 59.050 59.050 60.242 -1.192 18223
9030 1 20 . 1 1 65 65 SER CB C 56 63.554 63.554 63.378 0.176 18223
9031 1 20 . 1 1 65 65 SER H H 56 7.892 7.892 7.993 -0.101 18223
9032 1 20 . 1 1 66 66 GLN N N 57 120.154 120.154 117.275 2.879 18223
9033 1 20 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.002 0.241 18223
9034 1 20 . 1 1 66 66 GLN C C 57 175.760 175.760 174.397 1.363 18223
9035 1 20 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.452 -0.802 18223
9036 1 20 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.029 0.519 18223
9037 1 20 . 1 1 66 66 GLN H H 57 7.625 7.625 8.300 -0.675 18223
9038 1 20 . 1 1 67 67 ASP N N 58 120.090 120.090 120.544 -0.454 18223
9039 1 20 . 1 1 67 67 ASP CA C 58 52.000 52.000 54.559 -2.559 18223
9040 1 20 . 1 1 67 67 ASP H H 58 8.000 8.000 8.397 -0.397 18223
9041 1 20 . 1 1 68 68 PRO C C 59 177.890 177.890 178.897 -1.007 18223
9042 1 20 . 1 1 69 69 ARG N N 60 117.806 117.806 119.497 -1.691 18223
9043 1 20 . 1 1 69 69 ARG C C 60 178.330 178.330 178.658 -0.328 18223
9044 1 20 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.663 -1.768 18223
9045 1 20 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.699 -0.497 18223
9046 1 20 . 1 1 69 69 ARG H H 60 8.402 8.402 8.784 -0.382 18223
9047 1 20 . 1 1 70 70 ASN N N 61 116.920 116.920 116.697 0.223 18223
9048 1 20 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.406 -1.106 18223
9049 1 20 . 1 1 70 70 ASN CB C 61 38.067 38.067 38.109 -0.042 18223
9050 1 20 . 1 1 70 70 ASN H H 61 7.930 7.930 8.377 -0.447 18223
9051 1 20 . 1 1 71 71 VAL N N 62 120.795 120.795 121.122 -0.327 18223
9052 1 20 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.703 -0.776 18223
9053 1 20 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.674 -0.680 18223
9054 1 20 . 1 1 71 71 VAL H H 62 7.783 7.783 7.705 0.078 18223
9055 1 20 . 1 1 72 72 TRP N N 63 120.550 120.550 120.107 0.443 18223
9056 1 20 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.346 0.071 18223
9057 1 20 . 1 1 72 72 TRP C C 63 177.850 177.850 178.910 -1.060 18223
9058 1 20 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.117 -0.987 18223
9059 1 20 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.006 0.307 18223
9060 1 20 . 1 1 72 72 TRP H H 63 7.760 7.760 8.330 -0.570 18223
9061 1 20 . 1 1 73 73 VAL N N 64 117.896 117.896 116.918 0.978 18223
9062 1 20 . 1 1 73 73 VAL C C 64 179.270 179.270 178.515 0.755 18223
9063 1 20 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.381 0.149 18223
9064 1 20 . 1 1 73 73 VAL CB C 64 31.308 31.308 30.611 0.697 18223
9065 1 20 . 1 1 73 73 VAL H H 64 7.905 7.905 8.294 -0.389 18223
9066 1 20 . 1 1 74 74 PHE N N 65 122.086 122.086 119.035 3.051 18223
9067 1 20 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.413 -0.188 18223
9068 1 20 . 1 1 74 74 PHE C C 65 177.760 177.760 177.871 -0.111 18223
9069 1 20 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.610 -0.320 18223
9070 1 20 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.722 -0.162 18223
9071 1 20 . 1 1 74 74 PHE H H 65 7.857 7.857 7.553 0.304 18223
9072 1 20 . 1 1 75 75 LEU N N 66 121.304 121.304 122.691 -1.387 18223
9073 1 20 . 1 1 75 75 LEU C C 66 179.060 179.060 177.640 1.420 18223
9074 1 20 . 1 1 75 75 LEU CA C 66 57.800 57.800 58.008 -0.208 18223
9075 1 20 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.883 -0.583 18223
9076 1 20 . 1 1 75 75 LEU H H 66 8.326 8.326 8.435 -0.110 18223
9077 1 20 . 1 1 76 76 ALA N N 67 120.420 120.420 119.338 1.082 18223
9078 1 20 . 1 1 76 76 ALA HA H 67 4.396 4.396 4.074 0.322 18223
9079 1 20 . 1 1 76 76 ALA C C 67 180.180 180.180 179.586 0.594 18223
9080 1 20 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.231 -0.641 18223
9081 1 20 . 1 1 76 76 ALA H H 67 8.283 8.283 8.394 -0.111 18223
9082 1 20 . 1 1 77 77 THR N N 68 111.152 111.152 115.766 -4.614 18223
9083 1 20 . 1 1 77 77 THR C C 68 175.830 175.830 176.795 -0.965 18223
9084 1 20 . 1 1 77 77 THR CA C 68 64.159 64.159 67.330 -3.171 18223
9085 1 20 . 1 1 77 77 THR CB C 68 69.711 69.711 68.562 1.149 18223
9086 1 20 . 1 1 77 77 THR H H 68 7.951 7.951 8.064 -0.113 18223
9087 1 20 . 1 1 78 78 SER N N 69 117.883 117.883 115.820 2.063 18223
9088 1 20 . 1 1 78 78 SER C C 69 176.000 176.000 177.344 -1.344 18223
9089 1 20 . 1 1 78 78 SER CA C 69 60.730 60.730 61.017 -0.287 18223
9090 1 20 . 1 1 78 78 SER H H 69 7.839 7.839 8.184 -0.345 18223
9091 1 20 . 1 1 79 79 GLY N N 70 111.078 111.078 110.553 0.525 18223
9092 1 20 . 1 1 79 79 GLY C C 70 175.830 175.830 176.021 -0.191 18223
9093 1 20 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.716 -1.006 18223
9094 1 20 . 1 1 79 79 GLY H H 70 8.269 8.269 8.168 0.101 18223
9095 1 20 . 1 1 80 80 THR N N 71 117.727 117.727 118.184 -0.457 18223
9096 1 20 . 1 1 80 80 THR C C 71 176.110 176.110 176.554 -0.444 18223
9097 1 20 . 1 1 80 80 THR CA C 71 66.178 66.178 66.028 0.150 18223
9098 1 20 . 1 1 80 80 THR CB C 71 68.630 68.630 68.750 -0.120 18223
9099 1 20 . 1 1 80 80 THR H H 71 7.823 7.823 7.937 -0.114 18223
9100 1 20 . 1 1 81 81 LEU N N 72 121.422 121.422 122.160 -0.738 18223
9101 1 20 . 1 1 81 81 LEU C C 72 178.620 178.620 178.252 0.368 18223
9102 1 20 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.395 -0.706 18223
9103 1 20 . 1 1 81 81 LEU H H 72 7.846 7.846 8.308 -0.462 18223
9104 1 20 . 1 1 82 82 ALA N N 73 121.160 121.160 119.044 2.116 18223
9105 1 20 . 1 1 82 82 ALA C C 73 180.440 180.440 179.576 0.864 18223
9106 1 20 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.379 0.801 18223
9107 1 20 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.468 -0.603 18223
9108 1 20 . 1 1 82 82 ALA H H 73 8.050 8.050 8.487 -0.437 18223
9109 1 20 . 1 1 83 83 GLY N N 74 106.017 106.017 109.127 -3.110 18223
9110 1 20 . 1 1 83 83 GLY CA C 74 47.010 47.010 47.136 -0.126 18223
9111 1 20 . 1 1 83 83 GLY H H 74 8.132 8.132 7.848 0.284 18223
9112 1 20 . 1 1 84 84 ILE N N 75 122.030 122.030 120.388 1.642 18223
9113 1 20 . 1 1 84 84 ILE C C 75 178.530 178.530 177.296 1.234 18223
9114 1 20 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.977 0.753 18223
9115 1 20 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.319 -0.552 18223
9116 1 20 . 1 1 84 84 ILE H H 75 7.930 7.930 8.040 -0.110 18223
9117 1 20 . 1 1 85 85 MET N N 76 117.920 117.920 116.479 1.441 18223
9118 1 20 . 1 1 85 85 MET CA C 76 57.810 57.810 56.853 0.957 18223
9119 1 20 . 1 1 85 85 MET H H 76 8.140 8.140 7.665 0.475 18223
9120 1 20 . 1 1 86 86 GLY N N 77 109.118 109.118 105.372 3.746 18223
9121 1 20 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.394 1.377 18223
9122 1 20 . 1 1 86 86 GLY H H 77 7.920 7.920 8.099 -0.179 18223
9123 1 20 . 1 1 87 87 MET N N 78 119.220 119.220 121.166 -1.946 18223
9124 1 20 . 1 1 87 87 MET CA C 78 55.810 55.810 55.694 0.117 18223
9125 1 20 . 1 1 87 87 MET H H 78 7.950 7.950 8.306 -0.356 18223
9126 1 20 . 1 1 88 88 ARG N N 79 120.090 120.090 121.269 -1.179 18223
9127 1 20 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.486 -4.486 18223
9128 1 20 . 1 1 88 88 ARG H H 79 8.000 8.000 8.449 -0.449 18223
9129 1 20 . 1 1 90 90 TYR C C 81 176.310 176.310 176.312 -0.002 18223
9130 1 20 . 1 1 91 91 HIS N N 82 118.270 118.270 122.912 -4.642 18223
9131 1 20 . 1 1 91 91 HIS C C 82 174.940 174.940 173.533 1.407 18223
9132 1 20 . 1 1 91 91 HIS CA C 82 55.850 55.850 58.234 -2.384 18223
9133 1 20 . 1 1 91 91 HIS H H 82 8.130 8.130 8.668 -0.538 18223
9134 1 20 . 1 1 92 92 SER N N 83 115.818 115.818 118.975 -3.157 18223
9135 1 20 . 1 1 92 92 SER C C 83 175.470 175.470 172.763 2.707 18223
9136 1 20 . 1 1 92 92 SER CA C 83 59.430 59.430 57.857 1.573 18223
9137 1 20 . 1 1 92 92 SER CB C 83 63.870 63.870 64.618 -0.748 18223
9138 1 20 . 1 1 92 92 SER H H 83 8.007 8.007 8.182 -0.175 18223
9139 1 20 . 1 1 93 93 GLY N N 84 110.518 110.518 109.709 0.809 18223
9140 1 20 . 1 1 93 93 GLY C C 84 174.740 174.740 174.162 0.578 18223
9141 1 20 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.666 0.264 18223
9142 1 20 . 1 1 93 93 GLY H H 84 8.099 8.099 8.140 -0.041 18223
9143 1 20 . 1 1 94 94 LYS N N 85 120.088 120.088 120.503 -0.415 18223
9144 1 20 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.002 0.441 18223
9145 1 20 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.693 -0.334 18223
9146 1 20 . 1 1 94 94 LYS H H 85 7.810 7.810 8.196 -0.386 18223
9147 1 20 . 1 1 95 95 PHE N N 86 118.766 118.766 116.347 2.419 18223
9148 1 20 . 1 1 95 95 PHE CA C 86 57.810 57.810 56.817 0.993 18223
9149 1 20 . 1 1 95 95 PHE CB C 86 39.281 39.281 40.604 -1.323 18223
9150 1 20 . 1 1 95 95 PHE H H 86 7.911 7.911 7.703 0.208 18223
9151 1 20 . 1 1 96 96 MET N N 87 120.600 120.600 118.008 2.592 18223
9152 1 20 . 1 1 96 96 MET CA C 87 53.150 53.150 54.471 -1.321 18223
9153 1 20 . 1 1 96 96 MET H H 87 7.670 7.670 8.171 -0.501 18223
9154 1 20 . 1 1 97 97 PRO C C 88 176.820 176.820 175.719 1.101 18223
9155 1 20 . 1 1 98 98 ALA N N 89 124.300 124.300 123.635 0.665 18223
9156 1 20 . 1 1 98 98 ALA C C 89 179.480 179.480 176.091 3.389 18223
9157 1 20 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.231 1.159 18223
9158 1 20 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.304 -0.502 18223
9159 1 20 . 1 1 98 98 ALA H H 89 8.302 8.302 8.142 0.160 18223
9160 1 20 . 1 1 99 99 GLY N N 90 107.011 107.011 107.824 -0.813 18223
9161 1 20 . 1 1 99 99 GLY C C 90 174.920 174.920 173.485 1.435 18223
9162 1 20 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.956 0.923 18223
9163 1 20 . 1 1 99 99 GLY H H 90 8.341 8.341 7.885 0.456 18223
9164 1 20 . 1 1 100 100 LEU N N 91 120.873 120.873 123.903 -3.030 18223
9165 1 20 . 1 1 100 100 LEU C C 91 177.250 177.250 178.011 -0.761 18223
9166 1 20 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.033 -0.933 18223
9167 1 20 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.298 -0.204 18223
9168 1 20 . 1 1 100 100 LEU H H 91 7.732 7.732 8.078 -0.346 18223
9169 1 20 . 1 1 101 101 ILE N N 92 118.245 118.245 118.982 -0.737 18223
9170 1 20 . 1 1 101 101 ILE C C 92 177.130 177.130 176.743 0.387 18223
9171 1 20 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.712 -3.798 18223
9172 1 20 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.837 0.290 18223
9173 1 20 . 1 1 101 101 ILE H H 92 7.668 7.668 8.139 -0.471 18223
9174 1 20 . 1 1 102 102 ALA N N 93 127.523 127.523 120.908 6.615 18223
9175 1 20 . 1 1 102 102 ALA C C 93 179.370 179.370 179.654 -0.284 18223
9176 1 20 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.403 -2.565 18223
9177 1 20 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.805 1.214 18223
9178 1 20 . 1 1 102 102 ALA H H 93 8.110 8.110 8.423 -0.313 18223
9179 1 20 . 1 1 103 103 GLY N N 94 109.013 109.013 107.348 1.665 18223
9180 1 20 . 1 1 103 103 GLY C C 94 175.290 175.290 175.892 -0.602 18223
9181 1 20 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.981 -1.561 18223
9182 1 20 . 1 1 103 103 GLY H H 94 8.180 8.180 7.864 0.316 18223
9183 1 20 . 1 1 104 104 ALA N N 95 123.130 123.130 124.251 -1.121 18223
9184 1 20 . 1 1 104 104 ALA C C 95 180.040 180.040 179.688 0.352 18223
9185 1 20 . 1 1 104 104 ALA H H 95 8.230 8.230 8.267 -0.037 18223
9186 1 20 . 1 1 105 105 SER N N 96 114.606 114.606 114.649 -0.043 18223
9187 1 20 . 1 1 105 105 SER C C 96 176.140 176.140 176.692 -0.552 18223
9188 1 20 . 1 1 105 105 SER H H 96 7.915 7.915 7.899 0.016 18223
9189 1 20 . 1 1 106 106 LEU N N 97 122.651 122.651 122.614 0.037 18223
9190 1 20 . 1 1 106 106 LEU C C 97 179.140 179.140 178.377 0.763 18223
9191 1 20 . 1 1 106 106 LEU H H 97 8.066 8.066 7.996 0.070 18223
9192 1 20 . 1 1 108 108 MET N N 99 118.381 118.381 119.520 -1.139 18223
9193 1 20 . 1 1 108 108 MET C C 99 178.830 178.830 178.506 0.324 18223
9194 1 20 . 1 1 108 108 MET CA C 99 58.730 58.730 59.751 -1.021 18223
9195 1 20 . 1 1 108 108 MET H H 99 7.682 7.682 8.404 -0.722 18223
9196 1 20 . 1 1 109 109 VAL N N 100 118.713 118.713 119.389 -0.676 18223
9197 1 20 . 1 1 109 109 VAL C C 100 177.930 177.930 177.253 0.677 18223
9198 1 20 . 1 1 109 109 VAL CA C 100 66.230 66.230 64.433 1.797 18223
9199 1 20 . 1 1 109 109 VAL H H 100 7.821 7.821 8.060 -0.239 18223
9200 1 20 . 1 1 110 110 ALA N N 101 122.160 122.160 122.831 -0.671 18223
9201 1 20 . 1 1 110 110 ALA C C 101 180.470 180.470 179.521 0.949 18223
9202 1 20 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.388 -0.048 18223
9203 1 20 . 1 1 110 110 ALA H H 101 8.110 8.110 8.129 -0.019 18223
9204 1 20 . 1 1 111 111 LYS N N 102 120.260 120.260 118.866 1.394 18223
9205 1 20 . 1 1 111 111 LYS C C 102 177.490 177.490 178.428 -0.938 18223
9206 1 20 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.076 -1.586 18223
9207 1 20 . 1 1 111 111 LYS H H 102 7.870 7.870 7.930 -0.060 18223
9208 1 20 . 1 1 112 112 VAL N N 103 120.410 120.410 118.552 1.858 18223
9209 1 20 . 1 1 112 112 VAL C C 103 176.240 176.240 178.589 -2.349 18223
9210 1 20 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.764 -0.044 18223
9211 1 20 . 1 1 112 112 VAL H H 103 7.990 7.990 7.993 -0.003 18223
9212 1 20 . 1 1 113 113 GLY N N 104 108.926 108.926 106.332 2.594 18223
9213 1 20 . 1 1 113 113 GLY C C 104 175.150 175.150 175.957 -0.807 18223
9214 1 20 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.537 1.113 18223
9215 1 20 . 1 1 113 113 GLY H H 104 8.477 8.477 7.999 0.478 18223
9216 1 20 . 1 1 114 114 VAL N N 105 119.350 119.350 121.485 -2.135 18223
9217 1 20 . 1 1 114 114 VAL C C 105 178.390 178.390 175.200 3.190 18223
9218 1 20 . 1 1 114 114 VAL CA C 105 66.140 66.140 61.527 4.613 18223
9219 1 20 . 1 1 114 114 VAL H H 105 8.310 8.310 7.980 0.330 18223
9220 1 20 . 1 1 115 115 SER N N 106 115.964 115.964 115.084 0.880 18223
9221 1 20 . 1 1 115 115 SER C C 106 177.250 177.250 174.394 2.856 18223
9222 1 20 . 1 1 115 115 SER CA C 106 61.130 61.130 60.935 0.195 18223
9223 1 20 . 1 1 115 115 SER H H 106 7.815 7.815 7.525 0.290 18223
9224 1 20 . 1 1 116 116 MET N N 107 120.190 120.190 119.352 0.838 18223
9225 1 20 . 1 1 116 116 MET C C 107 177.190 177.190 174.893 2.297 18223
9226 1 20 . 1 1 116 116 MET CA C 107 57.450 57.450 55.580 1.870 18223
9227 1 20 . 1 1 116 116 MET H H 107 7.820 7.820 7.808 0.012 18223
9228 1 20 . 1 1 117 117 PHE N N 108 117.325 117.325 121.367 -4.042 18223
9229 1 20 . 1 1 117 117 PHE C C 108 175.740 175.740 176.648 -0.908 18223
9230 1 20 . 1 1 117 117 PHE CA C 108 58.870 58.870 57.890 0.980 18223
9231 1 20 . 1 1 117 117 PHE H H 108 7.735 7.735 8.225 -0.490 18223
9232 1 20 . 1 1 118 118 ASN N N 109 118.878 118.878 123.872 -4.994 18223
9233 1 20 . 1 1 118 118 ASN C C 109 174.830 174.830 175.255 -0.425 18223
9234 1 20 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.759 -0.699 18223
9235 1 20 . 1 1 118 118 ASN CB C 109 39.065 39.065 38.896 0.169 18223
9236 1 20 . 1 1 118 118 ASN H H 109 7.907 7.907 8.846 -0.939 18223
9237 1 20 . 1 1 119 119 ARG N N 110 122.870 122.870 119.030 3.840 18223
9238 1 20 . 1 1 119 119 ARG CA C 110 54.150 54.150 56.328 -2.178 18223
9239 1 20 . 1 1 119 119 ARG H H 110 7.894 7.894 8.489 -0.595 18223
9240 1 20 . 1 1 120 120 PRO C C 111 176.590 176.590 176.406 0.184 18223
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 100 2.463 0.138 2.471 18223
2 1 1 "Average Difference" HA 35 0.269 -0.072 0.263 18223
3 1 1 "Average Difference" C 87 1.251 -0.329 1.214 18223
4 1 1 "Average Difference" CA 98 1.660 0.395 1.621 18223
5 1 1 "Average Difference" CB 58 0.915 0.173 0.906 18223
6 1 1 "Average Difference" HN 100 0.390 0.137 0.367 18223
7 1 2 "Average Difference" N 100 2.116 0.095 2.124 18223
8 1 2 "Average Difference" HA 35 0.216 -0.111 0.188 18223
9 1 2 "Average Difference" C 87 1.157 -0.217 1.143 18223
10 1 2 "Average Difference" CA 98 1.608 0.497 1.537 18223
11 1 2 "Average Difference" CB 58 0.724 0.154 0.713 18223
12 1 2 "Average Difference" HN 100 0.424 0.190 0.381 18223
13 1 3 "Average Difference" N 100 2.155 0.211 2.155 18223
14 1 3 "Average Difference" HA 35 0.223 -0.094 0.205 18223
15 1 3 "Average Difference" C 87 1.243 -0.293 1.215 18223
16 1 3 "Average Difference" CA 98 1.526 0.480 1.456 18223
17 1 3 "Average Difference" CB 58 0.857 0.087 0.860 18223
18 1 3 "Average Difference" HN 100 0.415 0.153 0.388 18223
19 1 4 "Average Difference" N 100 2.084 0.134 2.090 18223
20 1 4 "Average Difference" HA 35 0.263 -0.103 0.246 18223
21 1 4 "Average Difference" C 87 1.234 -0.275 1.210 18223
22 1 4 "Average Difference" CA 98 1.642 0.435 1.592 18223
23 1 4 "Average Difference" CB 58 0.804 -0.016 0.811 18223
24 1 4 "Average Difference" HN 100 0.439 0.165 0.408 18223
25 1 5 "Average Difference" N 100 2.225 -0.335 2.210 18223
26 1 5 "Average Difference" HA 35 0.237 -0.094 0.221 18223
27 1 5 "Average Difference" C 87 1.282 -0.281 1.258 18223
28 1 5 "Average Difference" CA 98 1.629 0.455 1.572 18223
29 1 5 "Average Difference" CB 58 0.910 0.105 0.912 18223
30 1 5 "Average Difference" HN 100 0.400 0.109 0.387 18223
31 1 6 "Average Difference" N 100 1.787 -0.007 1.796 18223
32 1 6 "Average Difference" HA 35 0.231 -0.108 0.207 18223
33 1 6 "Average Difference" C 87 1.165 -0.203 1.154 18223
34 1 6 "Average Difference" CA 98 1.503 0.428 1.448 18223
35 1 6 "Average Difference" CB 58 0.847 -0.030 0.854 18223
36 1 6 "Average Difference" HN 100 0.373 0.124 0.354 18223
37 1 7 "Average Difference" N 100 2.271 0.012 2.282 18223
38 1 7 "Average Difference" HA 35 0.242 -0.115 0.216 18223
39 1 7 "Average Difference" C 87 1.235 -0.308 1.203 18223
40 1 7 "Average Difference" CA 98 1.448 0.336 1.415 18223
41 1 7 "Average Difference" CB 58 0.827 0.082 0.830 18223
42 1 7 "Average Difference" HN 100 0.374 0.108 0.359 18223
43 1 8 "Average Difference" N 100 2.220 -0.183 2.223 18223
44 1 8 "Average Difference" HA 35 0.252 -0.104 0.232 18223
45 1 8 "Average Difference" C 87 1.211 -0.365 1.161 18223
46 1 8 "Average Difference" CA 98 1.658 0.418 1.613 18223
47 1 8 "Average Difference" CB 58 0.801 0.034 0.807 18223
48 1 8 "Average Difference" HN 100 0.377 0.108 0.362 18223
49 1 9 "Average Difference" N 100 2.284 0.044 2.295 18223
50 1 9 "Average Difference" HA 35 0.249 -0.064 0.244 18223
51 1 9 "Average Difference" C 87 1.194 -0.265 1.172 18223
52 1 9 "Average Difference" CA 98 1.468 0.289 1.447 18223
53 1 9 "Average Difference" CB 58 0.974 0.264 0.946 18223
54 1 9 "Average Difference" HN 100 0.428 0.148 0.404 18223
55 1 10 "Average Difference" N 100 2.485 0.090 2.496 18223
56 1 10 "Average Difference" HA 35 0.258 -0.133 0.224 18223
57 1 10 "Average Difference" C 87 1.309 -0.372 1.262 18223
58 1 10 "Average Difference" CA 98 1.528 0.296 1.507 18223
59 1 10 "Average Difference" CB 58 0.858 0.159 0.850 18223
60 1 10 "Average Difference" HN 100 0.452 0.108 0.441 18223
61 1 11 "Average Difference" N 100 2.163 -0.205 2.164 18223
62 1 11 "Average Difference" HA 35 0.234 -0.154 0.179 18223
63 1 11 "Average Difference" C 87 1.220 -0.347 1.176 18223
64 1 11 "Average Difference" CA 98 1.532 0.427 1.478 18223
65 1 11 "Average Difference" CB 58 0.788 0.111 0.787 18223
66 1 11 "Average Difference" HN 100 0.410 0.135 0.389 18223
67 1 12 "Average Difference" N 100 2.167 -0.153 2.172 18223
68 1 12 "Average Difference" HA 35 0.226 -0.123 0.192 18223
69 1 12 "Average Difference" C 87 1.148 -0.216 1.135 18223
70 1 12 "Average Difference" CA 98 1.646 0.439 1.595 18223
71 1 12 "Average Difference" CB 58 0.750 0.064 0.754 18223
72 1 12 "Average Difference" HN 100 0.425 0.121 0.409 18223
73 1 13 "Average Difference" N 100 2.409 -0.004 2.421 18223
74 1 13 "Average Difference" HA 35 0.240 -0.118 0.212 18223
75 1 13 "Average Difference" C 87 1.209 -0.279 1.183 18223
76 1 13 "Average Difference" CA 98 1.527 0.405 1.480 18223
77 1 13 "Average Difference" CB 58 0.843 0.077 0.847 18223
78 1 13 "Average Difference" HN 100 0.407 0.173 0.370 18223
79 1 14 "Average Difference" N 100 2.154 -0.053 2.164 18223
80 1 14 "Average Difference" HA 35 0.277 -0.060 0.275 18223
81 1 14 "Average Difference" C 87 1.336 -0.404 1.280 18223
82 1 14 "Average Difference" CA 98 1.566 0.245 1.555 18223
83 1 14 "Average Difference" CB 58 0.934 0.206 0.919 18223
84 1 14 "Average Difference" HN 100 0.452 0.150 0.428 18223
85 1 15 "Average Difference" N 100 1.947 -0.223 1.944 18223
86 1 15 "Average Difference" HA 35 0.246 -0.113 0.222 18223
87 1 15 "Average Difference" C 87 1.262 -0.313 1.230 18223
88 1 15 "Average Difference" CA 98 1.677 0.333 1.652 18223
89 1 15 "Average Difference" CB 58 0.808 0.148 0.801 18223
90 1 15 "Average Difference" HN 100 0.392 0.121 0.375 18223
91 1 16 "Average Difference" N 100 2.161 -0.385 2.137 18223
92 1 16 "Average Difference" HA 35 0.296 -0.129 0.270 18223
93 1 16 "Average Difference" C 87 1.221 -0.298 1.190 18223
94 1 16 "Average Difference" CA 98 1.483 0.449 1.420 18223
95 1 16 "Average Difference" CB 58 0.763 0.065 0.767 18223
96 1 16 "Average Difference" HN 100 0.364 0.103 0.351 18223
97 1 17 "Average Difference" N 100 1.972 -0.088 1.980 18223
98 1 17 "Average Difference" HA 35 0.230 -0.113 0.204 18223
99 1 17 "Average Difference" C 87 1.306 -0.310 1.276 18223
100 1 17 "Average Difference" CA 98 1.676 0.480 1.614 18223
101 1 17 "Average Difference" CB 58 0.841 0.169 0.831 18223
102 1 17 "Average Difference" HN 100 0.406 0.186 0.363 18223
103 1 18 "Average Difference" N 100 2.198 0.178 2.202 18223
104 1 18 "Average Difference" HA 35 0.248 -0.112 0.225 18223
105 1 18 "Average Difference" C 87 1.249 -0.250 1.231 18223
106 1 18 "Average Difference" CA 98 1.467 0.331 1.437 18223
107 1 18 "Average Difference" CB 58 0.809 0.134 0.805 18223
108 1 18 "Average Difference" HN 100 0.384 0.127 0.365 18223
109 1 19 "Average Difference" N 100 2.135 -0.049 2.145 18223
110 1 19 "Average Difference" HA 35 0.255 -0.117 0.230 18223
111 1 19 "Average Difference" C 87 1.135 -0.298 1.102 18223
112 1 19 "Average Difference" CA 98 1.486 0.298 1.464 18223
113 1 19 "Average Difference" CB 58 0.784 0.131 0.780 18223
114 1 19 "Average Difference" HN 100 0.369 0.083 0.362 18223
115 1 20 "Average Difference" N 100 2.223 -0.142 2.229 18223
116 1 20 "Average Difference" HA 35 0.246 -0.068 0.240 18223
117 1 20 "Average Difference" C 87 1.293 -0.325 1.259 18223
118 1 20 "Average Difference" CA 98 1.520 0.399 1.474 18223
119 1 20 "Average Difference" CB 58 0.788 0.182 0.774 18223
120 1 20 "Average Difference" HN 100 0.423 0.145 0.399 18223
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 18223
_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 11 11 GLN C C 2 176.170 176.170 174.452 1.718 18223
2 1 . 1 1 12 12 ASP N N 3 120.369 120.369 120.618 -0.249 18223
3 1 . 1 1 12 12 ASP HA H 3 4.150 4.150 4.686 -0.536 18223
4 1 . 1 1 12 12 ASP C C 3 176.980 176.980 175.742 1.238 18223
5 1 . 1 1 12 12 ASP CA C 3 54.837 54.837 54.083 0.754 18223
6 1 . 1 1 12 12 ASP CB C 3 40.796 40.796 41.751 -0.955 18223
7 1 . 1 1 12 12 ASP H H 3 8.275 8.275 8.307 -0.032 18223
8 1 . 1 1 13 13 THR N N 4 114.220 114.220 114.718 -0.498 18223
9 1 . 1 1 13 13 THR HA H 4 4.636 4.636 4.091 0.545 18223
10 1 . 1 1 13 13 THR C C 4 175.530 175.530 174.696 0.834 18223
11 1 . 1 1 13 13 THR CA C 4 62.790 62.790 62.939 -0.149 18223
12 1 . 1 1 13 13 THR CB C 4 69.134 69.134 69.163 -0.029 18223
13 1 . 1 1 13 13 THR H H 4 7.990 7.990 8.187 -0.197 18223
14 1 . 1 1 14 14 SER N N 5 117.664 117.664 117.675 -0.011 18223
15 1 . 1 1 14 14 SER HA H 5 4.296 4.296 4.341 -0.045 18223
16 1 . 1 1 14 14 SER C C 5 175.200 175.200 174.831 0.369 18223
17 1 . 1 1 14 14 SER CA C 5 59.443 59.443 59.040 0.403 18223
18 1 . 1 1 14 14 SER CB C 5 63.438 63.438 63.194 0.244 18223
19 1 . 1 1 14 14 SER H H 5 8.255 8.255 8.411 -0.156 18223
20 1 . 1 1 15 15 SER N N 6 117.093 117.093 118.491 -1.398 18223
21 1 . 1 1 15 15 SER HA H 6 4.317 4.317 4.261 0.056 18223
22 1 . 1 1 15 15 SER C C 6 174.770 174.770 174.572 0.198 18223
23 1 . 1 1 15 15 SER CA C 6 58.737 58.737 59.788 -1.051 18223
24 1 . 1 1 15 15 SER CB C 6 63.656 63.656 62.832 0.824 18223
25 1 . 1 1 15 15 SER H H 6 8.050 8.050 8.581 -0.531 18223
26 1 . 1 1 16 16 VAL N N 7 119.995 119.995 117.562 2.433 18223
27 1 . 1 1 16 16 VAL C C 7 176.150 176.150 174.907 1.243 18223
28 1 . 1 1 16 16 VAL CA C 7 62.743 62.743 63.205 -0.462 18223
29 1 . 1 1 16 16 VAL CB C 7 32.215 32.215 32.143 0.072 18223
30 1 . 1 1 16 16 VAL H H 7 7.775 7.775 7.964 -0.189 18223
31 1 . 1 1 17 17 VAL N N 8 121.090 121.090 118.157 2.933 18223
32 1 . 1 1 17 17 VAL CA C 8 60.910 60.910 60.275 0.635 18223
33 1 . 1 1 17 17 VAL H H 8 7.730 7.730 7.736 -0.006 18223
34 1 . 1 1 18 18 PRO C C 9 178.410 178.410 177.735 0.675 18223
35 1 . 1 1 18 18 PRO CA C 9 63.510 63.510 62.011 1.499 18223
36 1 . 1 1 19 19 LEU N N 10 121.410 121.410 122.029 -0.619 18223
37 1 . 1 1 19 19 LEU C C 10 178.910 178.910 178.814 0.096 18223
38 1 . 1 1 19 19 LEU CA C 10 56.850 56.850 59.388 -2.538 18223
39 1 . 1 1 19 19 LEU CB C 10 41.445 41.445 41.490 -0.045 18223
40 1 . 1 1 19 19 LEU H H 10 7.930 7.930 8.560 -0.630 18223
41 1 . 1 1 20 20 HIS N N 11 116.900 116.900 117.041 -0.141 18223
42 1 . 1 1 20 20 HIS HA H 11 4.631 4.631 4.343 0.288 18223
43 1 . 1 1 20 20 HIS C C 11 174.990 174.990 177.897 -2.907 18223
44 1 . 1 1 20 20 HIS CA C 11 57.000 57.000 60.114 -3.114 18223
45 1 . 1 1 20 20 HIS CB C 11 27.960 27.960 29.390 -1.430 18223
46 1 . 1 1 20 20 HIS H H 11 8.384 8.384 8.395 -0.011 18223
47 1 . 1 1 21 21 TRP C C 12 177.660 177.660 178.949 -1.289 18223
48 1 . 1 1 22 22 PHE N N 13 119.238 119.238 118.637 0.601 18223
49 1 . 1 1 22 22 PHE HA H 13 4.288 4.288 4.163 0.125 18223
50 1 . 1 1 22 22 PHE C C 13 177.410 177.410 178.042 -0.632 18223
51 1 . 1 1 22 22 PHE CA C 13 60.698 60.698 62.534 -1.836 18223
52 1 . 1 1 22 22 PHE CB C 13 38.344 38.344 38.698 -0.354 18223
53 1 . 1 1 22 22 PHE H H 13 7.883 7.883 8.921 -1.038 18223
54 1 . 1 1 23 23 GLY N N 14 107.209 107.209 106.383 0.825 18223
55 1 . 1 1 23 23 GLY C C 14 176.220 176.220 176.040 0.180 18223
56 1 . 1 1 23 23 GLY CA C 14 47.080 47.080 47.314 -0.234 18223
57 1 . 1 1 23 23 GLY H H 14 7.911 7.911 8.428 -0.517 18223
58 1 . 1 1 24 24 PHE N N 15 121.880 121.880 123.067 -1.187 18223
59 1 . 1 1 24 24 PHE HA H 15 4.413 4.413 4.335 0.078 18223
60 1 . 1 1 24 24 PHE C C 15 177.840 177.840 177.896 -0.056 18223
61 1 . 1 1 24 24 PHE CA C 15 60.090 60.090 60.616 -0.526 18223
62 1 . 1 1 24 24 PHE CB C 15 38.849 38.849 39.055 -0.206 18223
63 1 . 1 1 24 24 PHE H H 15 7.900 7.900 8.359 -0.459 18223
64 1 . 1 1 25 25 GLY N N 16 107.640 107.640 107.499 0.141 18223
65 1 . 1 1 25 25 GLY C C 16 174.910 174.910 175.794 -0.884 18223
66 1 . 1 1 25 25 GLY CA C 16 47.330 47.330 47.158 0.172 18223
67 1 . 1 1 25 25 GLY H H 16 8.320 8.320 8.806 -0.486 18223
68 1 . 1 1 26 26 TYR N N 17 121.804 121.804 123.363 -1.559 18223
69 1 . 1 1 26 26 TYR C C 17 177.120 177.120 177.293 -0.173 18223
70 1 . 1 1 26 26 TYR CA C 17 61.670 61.670 61.550 0.120 18223
71 1 . 1 1 26 26 TYR CB C 17 38.401 38.401 38.463 -0.061 18223
72 1 . 1 1 26 26 TYR H H 17 8.365 8.365 8.289 0.076 18223
73 1 . 1 1 27 27 ALA N N 18 120.785 120.785 120.615 0.170 18223
74 1 . 1 1 27 27 ALA HA H 18 3.883 3.883 3.902 -0.019 18223
75 1 . 1 1 27 27 ALA C C 18 178.790 178.790 179.205 -0.414 18223
76 1 . 1 1 27 27 ALA CA C 18 55.040 55.040 55.069 -0.029 18223
77 1 . 1 1 27 27 ALA CB C 18 17.721 17.721 17.907 -0.186 18223
78 1 . 1 1 27 27 ALA H H 18 7.949 7.949 8.293 -0.344 18223
79 1 . 1 1 28 28 ALA N N 19 120.210 120.210 120.753 -0.543 18223
80 1 . 1 1 28 28 ALA CA C 19 54.850 54.850 54.547 0.303 18223
81 1 . 1 1 28 28 ALA CB C 19 17.721 17.721 18.184 -0.463 18223
82 1 . 1 1 28 28 ALA H H 19 7.870 7.870 7.936 -0.066 18223
83 1 . 1 1 29 29 LEU N N 20 120.090 120.090 120.447 -0.356 18223
84 1 . 1 1 29 29 LEU CA C 20 52.000 52.000 58.011 -6.011 18223
85 1 . 1 1 29 29 LEU H H 20 8.000 8.000 7.759 0.241 18223
86 1 . 1 1 30 30 VAL N N 21 118.299 118.299 119.056 -0.757 18223
87 1 . 1 1 30 30 VAL C C 21 178.920 178.920 177.954 0.966 18223
88 1 . 1 1 30 30 VAL CA C 21 65.620 65.620 66.545 -0.925 18223
89 1 . 1 1 30 30 VAL CB C 21 31.277 31.277 31.085 0.192 18223
90 1 . 1 1 30 30 VAL H H 21 7.947 7.947 7.982 -0.035 18223
91 1 . 1 1 31 31 ALA N N 22 122.600 122.600 120.743 1.857 18223
92 1 . 1 1 31 31 ALA HA H 22 4.173 4.173 3.926 0.247 18223
93 1 . 1 1 31 31 ALA C C 22 179.540 179.540 179.496 0.044 18223
94 1 . 1 1 31 31 ALA CA C 22 54.208 54.208 55.262 -1.054 18223
95 1 . 1 1 31 31 ALA CB C 22 18.442 18.442 17.979 0.463 18223
96 1 . 1 1 31 31 ALA H H 22 7.819 7.819 8.104 -0.285 18223
97 1 . 1 1 32 32 SER N N 23 113.502 113.502 115.385 -1.883 18223
98 1 . 1 1 32 32 SER HA H 23 4.015 4.015 4.004 0.011 18223
99 1 . 1 1 32 32 SER C C 23 175.890 175.890 176.899 -1.009 18223
100 1 . 1 1 32 32 SER CA C 23 60.490 60.490 62.234 -1.744 18223
101 1 . 1 1 32 32 SER CB C 23 63.510 63.510 62.773 0.737 18223
102 1 . 1 1 32 32 SER H H 23 7.826 7.826 8.256 -0.430 18223
103 1 . 1 1 33 33 GLY N N 24 109.939 109.939 108.546 1.393 18223
104 1 . 1 1 33 33 GLY C C 24 176.180 176.180 175.494 0.686 18223
105 1 . 1 1 33 33 GLY CA C 24 46.650 46.650 46.820 -0.170 18223
106 1 . 1 1 33 33 GLY H H 24 7.985 7.985 8.359 -0.374 18223
107 1 . 1 1 34 34 GLY N N 25 109.396 109.396 110.147 -0.751 18223
108 1 . 1 1 34 34 GLY C C 25 175.330 175.330 175.928 -0.598 18223
109 1 . 1 1 34 34 GLY CA C 25 46.170 46.170 46.659 -0.489 18223
110 1 . 1 1 34 34 GLY H H 25 8.235 8.235 7.867 0.368 18223
111 1 . 1 1 35 35 ILE N N 26 120.211 120.211 122.837 -2.626 18223
112 1 . 1 1 35 35 ILE C C 26 177.400 177.400 178.170 -0.770 18223
113 1 . 1 1 35 35 ILE CA C 26 63.830 63.830 64.793 -0.963 18223
114 1 . 1 1 35 35 ILE CB C 26 37.839 37.839 38.004 -0.165 18223
115 1 . 1 1 35 35 ILE H H 26 7.998 7.998 8.021 -0.023 18223
116 1 . 1 1 36 36 ILE N N 27 120.051 120.051 119.005 1.046 18223
117 1 . 1 1 36 36 ILE C C 27 177.900 177.900 177.712 0.188 18223
118 1 . 1 1 36 36 ILE CA C 27 63.850 63.850 64.461 -0.611 18223
119 1 . 1 1 36 36 ILE CB C 27 36.830 36.830 36.719 0.111 18223
120 1 . 1 1 36 36 ILE H H 27 7.998 7.998 8.628 -0.630 18223
121 1 . 1 1 37 37 GLY N N 28 107.531 107.531 107.744 -0.213 18223
122 1 . 1 1 37 37 GLY C C 28 176.120 176.120 176.368 -0.248 18223
123 1 . 1 1 37 37 GLY CA C 28 46.800 46.800 46.535 0.265 18223
124 1 . 1 1 37 37 GLY H H 28 7.983 7.983 7.469 0.514 18223
125 1 . 1 1 38 38 TYR N N 29 120.900 120.900 122.037 -1.137 18223
126 1 . 1 1 38 38 TYR C C 29 176.530 176.530 177.639 -1.109 18223
127 1 . 1 1 38 38 TYR CA C 29 60.730 60.730 61.214 -0.484 18223
128 1 . 1 1 38 38 TYR CB C 29 38.488 38.488 38.576 -0.088 18223
129 1 . 1 1 38 38 TYR H H 29 7.726 7.726 8.085 -0.359 18223
130 1 . 1 1 39 39 VAL N N 30 117.958 117.958 114.929 3.029 18223
131 1 . 1 1 39 39 VAL C C 30 177.600 177.600 176.806 0.794 18223
132 1 . 1 1 39 39 VAL CA C 30 64.375 64.375 64.084 0.291 18223
133 1 . 1 1 39 39 VAL CB C 30 31.421 31.421 32.334 -0.913 18223
134 1 . 1 1 39 39 VAL H H 30 7.849 7.849 8.297 -0.448 18223
135 1 . 1 1 40 40 LYS N N 31 120.116 120.116 117.006 3.110 18223
136 1 . 1 1 40 40 LYS C C 31 177.090 177.090 175.002 2.087 18223
137 1 . 1 1 40 40 LYS CA C 31 57.770 57.770 58.193 -0.423 18223
138 1 . 1 1 40 40 LYS CB C 31 32.215 32.215 31.551 0.664 18223
139 1 . 1 1 40 40 LYS H H 31 8.072 8.072 7.693 0.379 18223
140 1 . 1 1 41 41 ALA N N 32 122.082 122.082 120.584 1.498 18223
141 1 . 1 1 41 41 ALA HA H 32 4.241 4.241 4.383 -0.142 18223
142 1 . 1 1 41 41 ALA C C 32 178.780 178.780 176.613 2.167 18223
143 1 . 1 1 41 41 ALA CA C 32 53.260 53.260 52.183 1.077 18223
144 1 . 1 1 41 41 ALA CB C 32 18.730 18.730 19.451 -0.721 18223
145 1 . 1 1 41 41 ALA H H 32 7.786 7.786 7.674 0.112 18223
146 1 . 1 1 42 42 GLY N N 33 106.746 106.746 107.561 -0.815 18223
147 1 . 1 1 42 42 GLY C C 33 174.790 174.790 174.390 0.400 18223
148 1 . 1 1 42 42 GLY CA C 33 45.820 45.820 45.180 0.640 18223
149 1 . 1 1 42 42 GLY H H 33 7.964 7.964 8.410 -0.446 18223
150 1 . 1 1 43 43 SER N N 34 115.541 115.541 115.840 -0.298 18223
151 1 . 1 1 43 43 SER HA H 34 4.491 4.491 4.552 -0.061 18223
152 1 . 1 1 43 43 SER C C 34 174.920 174.920 174.927 -0.007 18223
153 1 . 1 1 43 43 SER CA C 34 58.730 58.730 58.191 0.539 18223
154 1 . 1 1 43 43 SER CB C 34 63.798 63.798 64.124 -0.326 18223
155 1 . 1 1 43 43 SER H H 34 8.049 8.049 8.022 0.027 18223
156 1 . 1 1 44 44 VAL N N 35 121.887 121.887 123.932 -2.045 18223
157 1 . 1 1 44 44 VAL CA C 35 65.330 65.330 65.401 -0.071 18223
158 1 . 1 1 44 44 VAL CB C 35 29.330 29.330 30.805 -1.475 18223
159 1 . 1 1 44 44 VAL H H 35 8.332 8.332 8.591 -0.259 18223
160 1 . 1 1 46 46 SER N N 37 113.762 113.762 114.357 -0.595 18223
161 1 . 1 1 46 46 SER CA C 37 61.130 61.130 61.406 -0.276 18223
162 1 . 1 1 46 46 SER CB C 37 62.789 62.789 62.844 -0.054 18223
163 1 . 1 1 46 46 SER H H 37 7.924 7.924 8.075 -0.151 18223
164 1 . 1 1 47 47 LEU N N 38 124.450 124.450 121.702 2.748 18223
165 1 . 1 1 47 47 LEU C C 38 176.440 176.440 178.252 -1.812 18223
166 1 . 1 1 47 47 LEU CA C 38 57.360 57.360 57.823 -0.462 18223
167 1 . 1 1 47 47 LEU CB C 38 41.805 41.805 41.684 0.121 18223
168 1 . 1 1 47 47 LEU H H 38 8.108 8.108 7.677 0.431 18223
169 1 . 1 1 48 48 ALA N N 39 121.290 121.290 120.647 0.643 18223
170 1 . 1 1 48 48 ALA CA C 39 54.610 54.610 55.089 -0.479 18223
171 1 . 1 1 48 48 ALA H H 39 8.250 8.250 7.790 0.460 18223
172 1 . 1 1 49 49 ALA N N 40 120.070 120.070 119.686 0.383 18223
173 1 . 1 1 49 49 ALA C C 40 179.910 179.910 179.708 0.202 18223
174 1 . 1 1 49 49 ALA CA C 40 55.110 55.110 54.878 0.232 18223
175 1 . 1 1 49 49 ALA CB C 40 18.081 18.081 18.338 -0.257 18223
176 1 . 1 1 49 49 ALA H H 40 8.145 8.145 8.293 -0.148 18223
177 1 . 1 1 50 50 GLY N N 41 104.977 104.977 107.704 -2.727 18223
178 1 . 1 1 50 50 GLY C C 41 174.870 174.870 175.940 -1.070 18223
179 1 . 1 1 50 50 GLY CA C 41 46.925 46.925 46.797 0.128 18223
180 1 . 1 1 50 50 GLY H H 41 8.103 8.103 7.941 0.162 18223
181 1 . 1 1 51 51 LEU N N 42 122.431 122.431 122.540 -0.109 18223
182 1 . 1 1 51 51 LEU CA C 42 57.330 57.330 57.830 -0.500 18223
183 1 . 1 1 51 51 LEU CB C 42 41.805 41.805 41.964 -0.158 18223
184 1 . 1 1 51 51 LEU H H 42 7.796 7.796 7.885 -0.089 18223
185 1 . 1 1 52 52 LEU N N 43 119.483 119.483 120.072 -0.589 18223
186 1 . 1 1 52 52 LEU C C 43 179.910 179.910 179.255 0.655 18223
187 1 . 1 1 52 52 LEU CA C 43 57.770 57.770 58.590 -0.820 18223
188 1 . 1 1 52 52 LEU CB C 43 41.372 41.372 41.500 -0.128 18223
189 1 . 1 1 52 52 LEU H H 43 7.862 7.862 7.981 -0.119 18223
190 1 . 1 1 53 53 PHE N N 44 117.117 117.117 117.810 -0.693 18223
191 1 . 1 1 53 53 PHE HA H 44 4.371 4.371 4.274 0.097 18223
192 1 . 1 1 53 53 PHE C C 44 178.530 178.530 177.913 0.617 18223
193 1 . 1 1 53 53 PHE CA C 44 60.150 60.150 61.078 -0.928 18223
194 1 . 1 1 53 53 PHE CB C 44 38.128 38.128 38.358 -0.230 18223
195 1 . 1 1 53 53 PHE H H 44 8.343 8.343 8.446 -0.103 18223
196 1 . 1 1 54 54 GLY N N 45 107.605 107.605 108.183 -0.578 18223
197 1 . 1 1 54 54 GLY C C 45 176.400 176.400 175.805 0.596 18223
198 1 . 1 1 54 54 GLY CA C 45 46.750 46.750 47.430 -0.680 18223
199 1 . 1 1 54 54 GLY H H 45 8.150 8.150 7.866 0.284 18223
200 1 . 1 1 55 55 SER N N 46 117.713 117.713 118.211 -0.498 18223
201 1 . 1 1 55 55 SER C C 46 176.130 176.130 176.751 -0.621 18223
202 1 . 1 1 55 55 SER CA C 46 61.240 61.240 61.501 -0.261 18223
203 1 . 1 1 55 55 SER CB C 46 63.294 63.294 63.027 0.267 18223
204 1 . 1 1 55 55 SER H H 46 7.942 7.942 7.917 0.025 18223
205 1 . 1 1 56 56 LEU N N 47 121.618 121.618 122.360 -0.742 18223
206 1 . 1 1 56 56 LEU C C 47 178.510 178.510 177.717 0.793 18223
207 1 . 1 1 56 56 LEU CA C 47 56.760 56.760 57.824 -1.064 18223
208 1 . 1 1 56 56 LEU CB C 47 41.156 41.156 41.591 -0.435 18223
209 1 . 1 1 56 56 LEU H H 47 7.910 7.910 8.014 -0.104 18223
210 1 . 1 1 57 57 ALA N N 48 121.557 121.557 120.627 0.930 18223
211 1 . 1 1 57 57 ALA C C 48 180.040 180.040 179.678 0.362 18223
212 1 . 1 1 57 57 ALA CA C 48 54.550 54.550 54.946 -0.396 18223
213 1 . 1 1 57 57 ALA CB C 48 18.081 18.081 18.077 0.004 18223
214 1 . 1 1 57 57 ALA H H 48 7.878 7.878 8.026 -0.148 18223
215 1 . 1 1 58 58 GLY N N 49 106.435 106.435 107.599 -1.164 18223
216 1 . 1 1 58 58 GLY C C 49 175.740 175.740 176.168 -0.428 18223
217 1 . 1 1 58 58 GLY CA C 49 46.280 46.280 47.011 -0.731 18223
218 1 . 1 1 58 58 GLY H H 49 8.085 8.085 8.155 -0.070 18223
219 1 . 1 1 59 59 LEU N N 50 121.230 121.230 122.298 -1.068 18223
220 1 . 1 1 59 59 LEU C C 50 178.390 178.390 179.613 -1.223 18223
221 1 . 1 1 59 59 LEU CA C 50 56.430 56.430 57.720 -1.290 18223
222 1 . 1 1 59 59 LEU CB C 50 41.661 41.661 41.279 0.382 18223
223 1 . 1 1 59 59 LEU H H 50 7.770 7.770 8.215 -0.445 18223
224 1 . 1 1 60 60 GLY N N 51 106.525 106.525 106.675 -0.150 18223
225 1 . 1 1 60 60 GLY C C 51 174.820 174.820 175.663 -0.843 18223
226 1 . 1 1 60 60 GLY CA C 51 46.290 46.290 47.046 -0.756 18223
227 1 . 1 1 60 60 GLY H H 51 8.090 8.090 7.792 0.298 18223
228 1 . 1 1 61 61 ALA N N 52 122.773 122.773 124.145 -1.372 18223
229 1 . 1 1 61 61 ALA HA H 52 4.102 4.102 4.037 0.065 18223
230 1 . 1 1 61 61 ALA C C 52 178.320 178.320 177.592 0.728 18223
231 1 . 1 1 61 61 ALA CA C 52 53.420 53.420 53.763 -0.343 18223
232 1 . 1 1 61 61 ALA CB C 52 18.442 18.442 18.870 -0.428 18223
233 1 . 1 1 61 61 ALA H H 52 7.819 7.819 8.034 -0.215 18223
234 1 . 1 1 62 62 TYR N N 53 118.481 118.481 116.114 2.367 18223
235 1 . 1 1 62 62 TYR C C 53 176.390 176.390 174.924 1.466 18223
236 1 . 1 1 62 62 TYR CA C 53 59.000 59.000 57.749 1.251 18223
237 1 . 1 1 62 62 TYR CB C 53 38.344 38.344 37.701 0.643 18223
238 1 . 1 1 62 62 TYR H H 53 7.794 7.794 7.499 0.295 18223
239 1 . 1 1 63 63 GLN N N 54 120.770 120.770 118.480 2.290 18223
240 1 . 1 1 63 63 GLN CA C 54 56.560 56.560 56.611 -0.051 18223
241 1 . 1 1 63 63 GLN CB C 54 28.648 28.648 30.342 -1.694 18223
242 1 . 1 1 63 63 GLN H H 54 8.033 8.033 8.289 -0.256 18223
243 1 . 1 1 64 64 LEU N N 55 121.847 121.847 119.413 2.434 18223
244 1 . 1 1 64 64 LEU HA H 55 4.170 4.170 4.360 -0.190 18223
245 1 . 1 1 64 64 LEU C C 55 177.790 177.790 175.553 2.237 18223
246 1 . 1 1 64 64 LEU CA C 55 56.010 56.010 55.868 0.142 18223
247 1 . 1 1 64 64 LEU CB C 55 41.805 41.805 42.710 -0.905 18223
248 1 . 1 1 64 64 LEU H H 55 8.018 8.018 7.925 0.093 18223
249 1 . 1 1 65 65 SER N N 56 113.937 113.937 115.880 -1.943 18223
250 1 . 1 1 65 65 SER C C 56 174.710 174.710 173.394 1.316 18223
251 1 . 1 1 65 65 SER CA C 56 59.050 59.050 59.178 -0.128 18223
252 1 . 1 1 65 65 SER CB C 56 63.554 63.554 63.389 0.165 18223
253 1 . 1 1 65 65 SER H H 56 7.892 7.892 8.420 -0.528 18223
254 1 . 1 1 66 66 GLN N N 57 120.154 120.154 120.187 -0.033 18223
255 1 . 1 1 66 66 GLN HA H 57 4.243 4.243 4.366 -0.123 18223
256 1 . 1 1 66 66 GLN C C 57 175.760 175.760 174.178 1.582 18223
257 1 . 1 1 66 66 GLN CA C 57 55.650 55.650 56.152 -0.502 18223
258 1 . 1 1 66 66 GLN CB C 57 29.548 29.548 29.941 -0.393 18223
259 1 . 1 1 66 66 GLN H H 57 7.625 7.625 8.053 -0.428 18223
260 1 . 1 1 67 67 ASP N N 58 120.090 120.090 121.774 -1.684 18223
261 1 . 1 1 67 67 ASP CA C 58 52.000 52.000 53.851 -1.851 18223
262 1 . 1 1 67 67 ASP H H 58 8.000 8.000 8.357 -0.357 18223
263 1 . 1 1 68 68 PRO C C 59 177.890 177.890 178.619 -0.729 18223
264 1 . 1 1 69 69 ARG N N 60 117.806 117.806 119.541 -1.736 18223
265 1 . 1 1 69 69 ARG C C 60 178.330 178.330 178.520 -0.190 18223
266 1 . 1 1 69 69 ARG CA C 60 58.895 58.895 60.249 -1.354 18223
267 1 . 1 1 69 69 ARG CB C 60 29.202 29.202 29.705 -0.503 18223
268 1 . 1 1 69 69 ARG H H 60 8.402 8.402 8.518 -0.116 18223
269 1 . 1 1 70 70 ASN N N 61 116.920 116.920 117.019 -0.099 18223
270 1 . 1 1 70 70 ASN CA C 61 55.300 55.300 56.314 -1.014 18223
271 1 . 1 1 70 70 ASN CB C 61 38.067 38.067 37.879 0.188 18223
272 1 . 1 1 70 70 ASN H H 61 7.930 7.930 8.311 -0.381 18223
273 1 . 1 1 71 71 VAL N N 62 120.795 120.795 120.260 0.535 18223
274 1 . 1 1 71 71 VAL CA C 62 65.927 65.927 66.358 -0.431 18223
275 1 . 1 1 71 71 VAL CB C 62 30.994 30.994 31.501 -0.506 18223
276 1 . 1 1 71 71 VAL H H 62 7.783 7.783 7.581 0.202 18223
277 1 . 1 1 72 72 TRP N N 63 120.550 120.550 120.935 -0.385 18223
278 1 . 1 1 72 72 TRP HA H 63 4.417 4.417 4.270 0.147 18223
279 1 . 1 1 72 72 TRP C C 63 177.850 177.850 178.497 -0.647 18223
280 1 . 1 1 72 72 TRP CA C 63 60.130 60.130 61.634 -1.504 18223
281 1 . 1 1 72 72 TRP CB C 63 29.313 29.313 29.182 0.131 18223
282 1 . 1 1 72 72 TRP H H 63 7.760 7.760 8.092 -0.332 18223
283 1 . 1 1 73 73 VAL N N 64 117.896 117.896 118.069 -0.173 18223
284 1 . 1 1 73 73 VAL C C 64 179.270 179.270 178.250 1.020 18223
285 1 . 1 1 73 73 VAL CA C 64 66.530 66.530 66.652 -0.122 18223
286 1 . 1 1 73 73 VAL CB C 64 31.308 31.308 31.158 0.150 18223
287 1 . 1 1 73 73 VAL H H 64 7.905 7.905 8.199 -0.294 18223
288 1 . 1 1 74 74 PHE N N 65 122.086 122.086 119.582 2.504 18223
289 1 . 1 1 74 74 PHE HA H 65 4.225 4.225 4.321 -0.096 18223
290 1 . 1 1 74 74 PHE C C 65 177.760 177.760 177.396 0.364 18223
291 1 . 1 1 74 74 PHE CA C 65 61.290 61.290 61.420 -0.129 18223
292 1 . 1 1 74 74 PHE CB C 65 38.560 38.560 38.701 -0.141 18223
293 1 . 1 1 74 74 PHE H H 65 7.857 7.857 8.049 -0.192 18223
294 1 . 1 1 75 75 LEU N N 66 121.304 121.304 121.986 -0.682 18223
295 1 . 1 1 75 75 LEU C C 66 179.060 179.060 178.366 0.694 18223
296 1 . 1 1 75 75 LEU CA C 66 57.800 57.800 57.985 -0.185 18223
297 1 . 1 1 75 75 LEU CB C 66 41.300 41.300 41.539 -0.239 18223
298 1 . 1 1 75 75 LEU H H 66 8.326 8.326 8.254 0.072 18223
299 1 . 1 1 76 76 ALA N N 67 120.420 120.420 119.756 0.664 18223
300 1 . 1 1 76 76 ALA HA H 67 4.396 4.396 3.923 0.473 18223
301 1 . 1 1 76 76 ALA C C 67 180.180 180.180 179.467 0.713 18223
302 1 . 1 1 76 76 ALA CA C 67 54.590 54.590 55.126 -0.536 18223
303 1 . 1 1 76 76 ALA H H 67 8.283 8.283 8.107 0.176 18223
304 1 . 1 1 77 77 THR N N 68 111.152 111.152 115.604 -4.452 18223
305 1 . 1 1 77 77 THR C C 68 175.830 175.830 176.745 -0.915 18223
306 1 . 1 1 77 77 THR CA C 68 64.159 64.159 66.996 -2.837 18223
307 1 . 1 1 77 77 THR CB C 68 69.711 69.711 68.475 1.236 18223
308 1 . 1 1 77 77 THR H H 68 7.951 7.951 8.003 -0.052 18223
309 1 . 1 1 78 78 SER N N 69 117.883 117.883 116.401 1.482 18223
310 1 . 1 1 78 78 SER C C 69 176.000 176.000 177.066 -1.066 18223
311 1 . 1 1 78 78 SER CA C 69 60.730 60.730 61.271 -0.541 18223
312 1 . 1 1 78 78 SER H H 69 7.839 7.839 8.108 -0.269 18223
313 1 . 1 1 79 79 GLY N N 70 111.078 111.078 110.251 0.827 18223
314 1 . 1 1 79 79 GLY C C 70 175.830 175.830 175.916 -0.086 18223
315 1 . 1 1 79 79 GLY CA C 70 46.710 46.710 47.531 -0.821 18223
316 1 . 1 1 79 79 GLY H H 70 8.269 8.269 8.134 0.135 18223
317 1 . 1 1 80 80 THR N N 71 117.727 117.727 118.184 -0.457 18223
318 1 . 1 1 80 80 THR C C 71 176.110 176.110 176.571 -0.461 18223
319 1 . 1 1 80 80 THR CA C 71 66.178 66.178 65.877 0.301 18223
320 1 . 1 1 80 80 THR CB C 71 68.630 68.630 68.815 -0.185 18223
321 1 . 1 1 80 80 THR H H 71 7.823 7.823 7.897 -0.074 18223
322 1 . 1 1 81 81 LEU N N 72 121.422 121.422 122.039 -0.617 18223
323 1 . 1 1 81 81 LEU C C 72 178.620 178.620 178.338 0.282 18223
324 1 . 1 1 81 81 LEU CA C 72 57.690 57.690 58.415 -0.725 18223
325 1 . 1 1 81 81 LEU H H 72 7.846 7.846 8.185 -0.339 18223
326 1 . 1 1 82 82 ALA N N 73 121.160 121.160 119.158 2.002 18223
327 1 . 1 1 82 82 ALA C C 73 180.440 180.440 179.587 0.853 18223
328 1 . 1 1 82 82 ALA CA C 73 55.180 55.180 54.054 1.126 18223
329 1 . 1 1 82 82 ALA CB C 73 17.865 17.865 18.697 -0.832 18223
330 1 . 1 1 82 82 ALA H H 73 8.050 8.050 8.222 -0.172 18223
331 1 . 1 1 83 83 GLY N N 74 106.017 106.017 108.386 -2.369 18223
332 1 . 1 1 83 83 GLY CA C 74 47.010 47.010 46.757 0.253 18223
333 1 . 1 1 83 83 GLY H H 74 8.132 8.132 7.824 0.308 18223
334 1 . 1 1 84 84 ILE N N 75 122.030 122.030 120.037 1.993 18223
335 1 . 1 1 84 84 ILE C C 75 178.530 178.530 176.545 1.985 18223
336 1 . 1 1 84 84 ILE CA C 75 64.730 64.730 63.364 1.366 18223
337 1 . 1 1 84 84 ILE CB C 75 37.767 37.767 38.332 -0.565 18223
338 1 . 1 1 84 84 ILE H H 75 7.930 7.930 8.012 -0.082 18223
339 1 . 1 1 85 85 MET N N 76 117.920 117.920 116.417 1.503 18223
340 1 . 1 1 85 85 MET CA C 76 57.810 57.810 54.913 2.897 18223
341 1 . 1 1 85 85 MET H H 76 8.140 8.140 7.697 0.443 18223
342 1 . 1 1 86 86 GLY N N 77 109.118 109.118 107.467 1.651 18223
343 1 . 1 1 86 86 GLY CA C 77 45.771 45.771 44.630 1.141 18223
344 1 . 1 1 86 86 GLY H H 77 7.920 7.920 8.242 -0.322 18223
345 1 . 1 1 87 87 MET N N 78 119.220 119.220 119.507 -0.287 18223
346 1 . 1 1 87 87 MET CA C 78 55.810 55.810 56.441 -0.631 18223
347 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.270 -0.320 18223
348 1 . 1 1 88 88 ARG N N 79 120.090 120.090 120.522 -0.432 18223
349 1 . 1 1 88 88 ARG CA C 79 52.000 52.000 56.368 -4.368 18223
350 1 . 1 1 88 88 ARG H H 79 8.000 8.000 8.231 -0.231 18223
351 1 . 1 1 90 90 TYR C C 81 176.310 176.310 175.137 1.173 18223
352 1 . 1 1 91 91 HIS N N 82 118.270 118.270 120.820 -2.550 18223
353 1 . 1 1 91 91 HIS C C 82 174.940 174.940 174.661 0.279 18223
354 1 . 1 1 91 91 HIS CA C 82 55.850 55.850 56.803 -0.953 18223
355 1 . 1 1 91 91 HIS H H 82 8.130 8.130 8.308 -0.178 18223
356 1 . 1 1 92 92 SER N N 83 115.818 115.818 114.989 0.829 18223
357 1 . 1 1 92 92 SER C C 83 175.470 175.470 173.886 1.584 18223
358 1 . 1 1 92 92 SER CA C 83 59.430 59.430 58.239 1.190 18223
359 1 . 1 1 92 92 SER CB C 83 63.870 63.870 63.659 0.211 18223
360 1 . 1 1 92 92 SER H H 83 8.007 8.007 8.482 -0.475 18223
361 1 . 1 1 93 93 GLY N N 84 110.518 110.518 109.831 0.687 18223
362 1 . 1 1 93 93 GLY C C 84 174.740 174.740 174.052 0.688 18223
363 1 . 1 1 93 93 GLY CA C 84 45.930 45.930 45.404 0.526 18223
364 1 . 1 1 93 93 GLY H H 84 8.099 8.099 8.301 -0.202 18223
365 1 . 1 1 94 94 LYS N N 85 120.088 120.088 120.989 -0.901 18223
366 1 . 1 1 94 94 LYS CA C 85 56.443 56.443 56.350 0.093 18223
367 1 . 1 1 94 94 LYS CB C 85 32.359 32.359 32.480 -0.121 18223
368 1 . 1 1 94 94 LYS H H 85 7.810 7.810 8.102 -0.292 18223
369 1 . 1 1 95 95 PHE N N 86 118.766 118.766 117.458 1.308 18223
370 1 . 1 1 95 95 PHE CA C 86 57.810 57.810 58.008 -0.198 18223
371 1 . 1 1 95 95 PHE CB C 86 39.281 39.281 38.879 0.402 18223
372 1 . 1 1 95 95 PHE H H 86 7.911 7.911 7.999 -0.088 18223
373 1 . 1 1 96 96 MET N N 87 120.600 120.600 119.915 0.685 18223
374 1 . 1 1 96 96 MET CA C 87 53.150 53.150 56.131 -2.981 18223
375 1 . 1 1 96 96 MET H H 87 7.670 7.670 8.091 -0.421 18223
376 1 . 1 1 97 97 PRO C C 88 176.820 176.820 176.220 0.600 18223
377 1 . 1 1 98 98 ALA N N 89 124.300 124.300 121.677 2.623 18223
378 1 . 1 1 98 98 ALA C C 89 179.480 179.480 176.848 2.632 18223
379 1 . 1 1 98 98 ALA CA C 89 53.390 53.390 52.485 0.905 18223
380 1 . 1 1 98 98 ALA CB C 89 18.802 18.802 19.399 -0.597 18223
381 1 . 1 1 98 98 ALA H H 89 8.302 8.302 7.944 0.358 18223
382 1 . 1 1 99 99 GLY N N 90 107.011 107.011 107.625 -0.614 18223
383 1 . 1 1 99 99 GLY C C 90 174.920 174.920 174.589 0.331 18223
384 1 . 1 1 99 99 GLY CA C 90 45.880 45.880 44.890 0.989 18223
385 1 . 1 1 99 99 GLY H H 90 8.341 8.341 8.016 0.325 18223
386 1 . 1 1 100 100 LEU N N 91 120.873 120.873 123.987 -3.114 18223
387 1 . 1 1 100 100 LEU C C 91 177.250 177.250 178.294 -1.044 18223
388 1 . 1 1 100 100 LEU CA C 91 56.100 56.100 57.836 -1.736 18223
389 1 . 1 1 100 100 LEU CB C 91 42.094 42.094 42.107 -0.013 18223
390 1 . 1 1 100 100 LEU H H 91 7.732 7.732 8.275 -0.543 18223
391 1 . 1 1 101 101 ILE N N 92 118.245 118.245 118.828 -0.583 18223
392 1 . 1 1 101 101 ILE C C 92 177.130 177.130 177.171 -0.041 18223
393 1 . 1 1 101 101 ILE CA C 92 60.914 60.914 64.366 -3.452 18223
394 1 . 1 1 101 101 ILE CB C 92 38.128 38.128 37.128 1.000 18223
395 1 . 1 1 101 101 ILE H H 92 7.668 7.668 8.184 -0.516 18223
396 1 . 1 1 102 102 ALA N N 93 127.523 127.523 122.060 5.463 18223
397 1 . 1 1 102 102 ALA C C 93 179.370 179.370 179.737 -0.367 18223
398 1 . 1 1 102 102 ALA CA C 93 52.838 52.838 55.323 -2.485 18223
399 1 . 1 1 102 102 ALA CB C 93 19.019 19.019 17.939 1.080 18223
400 1 . 1 1 102 102 ALA H H 93 8.110 8.110 8.279 -0.169 18223
401 1 . 1 1 103 103 GLY N N 94 109.013 109.013 106.990 2.023 18223
402 1 . 1 1 103 103 GLY C C 94 175.290 175.290 175.921 -0.631 18223
403 1 . 1 1 103 103 GLY CA C 94 45.420 45.420 46.947 -1.527 18223
404 1 . 1 1 103 103 GLY H H 94 8.180 8.180 8.011 0.169 18223
405 1 . 1 1 104 104 ALA N N 95 123.130 123.130 124.390 -1.260 18223
406 1 . 1 1 104 104 ALA C C 95 180.040 180.040 179.687 0.353 18223
407 1 . 1 1 104 104 ALA H H 95 8.230 8.230 8.213 0.017 18223
408 1 . 1 1 105 105 SER N N 96 114.606 114.606 114.497 0.109 18223
409 1 . 1 1 105 105 SER C C 96 176.140 176.140 176.773 -0.633 18223
410 1 . 1 1 105 105 SER H H 96 7.915 7.915 8.110 -0.195 18223
411 1 . 1 1 106 106 LEU N N 97 122.651 122.651 122.815 -0.164 18223
412 1 . 1 1 106 106 LEU C C 97 179.140 179.140 178.331 0.809 18223
413 1 . 1 1 106 106 LEU H H 97 8.066 8.066 7.889 0.177 18223
414 1 . 1 1 108 108 MET N N 99 118.381 118.381 118.844 -0.463 18223
415 1 . 1 1 108 108 MET C C 99 178.830 178.830 178.440 0.390 18223
416 1 . 1 1 108 108 MET CA C 99 58.730 58.730 59.712 -0.982 18223
417 1 . 1 1 108 108 MET H H 99 7.682 7.682 8.296 -0.614 18223
418 1 . 1 1 109 109 VAL N N 100 118.713 118.713 118.926 -0.213 18223
419 1 . 1 1 109 109 VAL C C 100 177.930 177.930 177.520 0.410 18223
420 1 . 1 1 109 109 VAL CA C 100 66.230 66.230 66.448 -0.218 18223
421 1 . 1 1 109 109 VAL H H 100 7.821 7.821 8.091 -0.270 18223
422 1 . 1 1 110 110 ALA N N 101 122.160 122.160 121.887 0.273 18223
423 1 . 1 1 110 110 ALA C C 101 180.470 180.470 179.442 1.028 18223
424 1 . 1 1 110 110 ALA CA C 101 55.340 55.340 55.370 -0.030 18223
425 1 . 1 1 110 110 ALA H H 101 8.110 8.110 8.020 0.090 18223
426 1 . 1 1 111 111 LYS N N 102 120.260 120.260 118.903 1.357 18223
427 1 . 1 1 111 111 LYS C C 102 177.490 177.490 178.742 -1.252 18223
428 1 . 1 1 111 111 LYS CA C 102 57.490 57.490 59.242 -1.752 18223
429 1 . 1 1 111 111 LYS H H 102 7.870 7.870 7.887 -0.017 18223
430 1 . 1 1 112 112 VAL N N 103 120.410 120.410 117.458 2.952 18223
431 1 . 1 1 112 112 VAL C C 103 176.240 176.240 177.816 -1.576 18223
432 1 . 1 1 112 112 VAL CA C 103 65.720 65.720 65.376 0.344 18223
433 1 . 1 1 112 112 VAL H H 103 7.990 7.990 7.964 0.026 18223
434 1 . 1 1 113 113 GLY N N 104 108.926 108.926 107.325 1.601 18223
435 1 . 1 1 113 113 GLY C C 104 175.150 175.150 174.741 0.409 18223
436 1 . 1 1 113 113 GLY CA C 104 47.650 47.650 46.059 1.591 18223
437 1 . 1 1 113 113 GLY H H 104 8.477 8.477 7.795 0.682 18223
438 1 . 1 1 114 114 VAL N N 105 119.350 119.350 119.532 -0.182 18223
439 1 . 1 1 114 114 VAL C C 105 178.390 178.390 175.187 3.203 18223
440 1 . 1 1 114 114 VAL CA C 105 66.140 66.140 62.223 3.917 18223
441 1 . 1 1 114 114 VAL H H 105 8.310 8.310 8.019 0.291 18223
442 1 . 1 1 115 115 SER N N 106 115.964 115.964 117.772 -1.808 18223
443 1 . 1 1 115 115 SER C C 106 177.250 177.250 173.606 3.644 18223
444 1 . 1 1 115 115 SER CA C 106 61.130 61.130 59.124 2.006 18223
445 1 . 1 1 115 115 SER H H 106 7.815 7.815 8.323 -0.508 18223
446 1 . 1 1 116 116 MET N N 107 120.190 120.190 122.373 -2.183 18223
447 1 . 1 1 116 116 MET C C 107 177.190 177.190 174.996 2.194 18223
448 1 . 1 1 116 116 MET CA C 107 57.450 57.450 56.143 1.307 18223
449 1 . 1 1 116 116 MET H H 107 7.820 7.820 8.276 -0.456 18223
450 1 . 1 1 117 117 PHE N N 108 117.325 117.325 120.576 -3.251 18223
451 1 . 1 1 117 117 PHE C C 108 175.740 175.740 174.716 1.024 18223
452 1 . 1 1 117 117 PHE CA C 108 58.870 58.870 58.231 0.639 18223
453 1 . 1 1 117 117 PHE H H 108 7.735 7.735 8.385 -0.650 18223
454 1 . 1 1 118 118 ASN N N 109 118.878 118.878 120.167 -1.289 18223
455 1 . 1 1 118 118 ASN C C 109 174.830 174.830 174.431 0.399 18223
456 1 . 1 1 118 118 ASN CA C 109 53.060 53.060 53.217 -0.157 18223
457 1 . 1 1 118 118 ASN CB C 109 39.065 39.065 39.217 -0.152 18223
458 1 . 1 1 118 118 ASN H H 109 7.907 7.907 8.282 -0.375 18223
459 1 . 1 1 119 119 ARG N N 110 122.870 122.870 120.843 2.027 18223
460 1 . 1 1 119 119 ARG CA C 110 54.150 54.150 55.517 -1.367 18223
461 1 . 1 1 119 119 ARG H H 110 7.894 7.894 8.353 -0.459 18223
462 1 . 1 1 120 120 PRO C C 111 176.590 176.590 176.478 0.112 18223
stop_
save_