data_18088
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18088
_Entry.PDB_ID 2LLT
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 18088
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 SER N N 2 118.720 118.720 115.882 2.838 18088
2 1 1 . 1 1 2 2 SER HA H 2 4.690 4.690 4.490 0.200 18088
3 1 1 . 1 1 2 2 SER CA C 2 57.270 57.270 57.508 -0.238 18088
4 1 1 . 1 1 2 2 SER CB C 2 65.140 65.140 64.693 0.447 18088
5 1 1 . 1 1 2 2 SER H H 2 9.270 9.270 8.114 1.156 18088
6 1 1 . 1 1 3 3 GLU N N 3 122.920 122.920 121.146 1.774 18088
7 1 1 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.052 0.068 18088
8 1 1 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.465 1.025 18088
9 1 1 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.523 -0.552 18088
10 1 1 . 1 1 3 3 GLU H H 3 9.260 9.260 8.820 0.440 18088
11 1 1 . 1 1 4 4 LEU N N 4 121.140 121.140 114.842 6.298 18088
12 1 1 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.130 -0.090 18088
13 1 1 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.783 0.277 18088
14 1 1 . 1 1 4 4 LEU CB C 4 42.190 42.190 40.849 1.341 18088
15 1 1 . 1 1 4 4 LEU H H 4 8.920 8.920 8.002 0.918 18088
16 1 1 . 1 1 5 5 GLU N N 5 118.710 118.710 119.974 -1.264 18088
17 1 1 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.013 -0.733 18088
18 1 1 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.435 0.235 18088
19 1 1 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.162 -0.012 18088
20 1 1 . 1 1 5 5 GLU H H 5 7.880 7.880 7.788 0.092 18088
21 1 1 . 1 1 6 6 THR N N 6 116.050 116.050 116.398 -0.348 18088
22 1 1 . 1 1 6 6 THR HA H 6 4.020 4.020 4.102 -0.082 18088
23 1 1 . 1 1 6 6 THR CA C 6 66.580 66.580 66.188 0.392 18088
24 1 1 . 1 1 6 6 THR CB C 6 68.620 68.620 68.430 0.190 18088
25 1 1 . 1 1 6 6 THR H H 6 8.440 8.440 7.572 0.868 18088
26 1 1 . 1 1 7 7 ALA N N 7 125.840 125.840 125.377 0.463 18088
27 1 1 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.006 0.274 18088
28 1 1 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.183 0.417 18088
29 1 1 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.323 -0.253 18088
30 1 1 . 1 1 7 7 ALA H H 7 8.320 8.320 7.964 0.356 18088
31 1 1 . 1 1 8 8 MET N N 8 115.330 115.330 116.539 -1.209 18088
32 1 1 . 1 1 8 8 MET HA H 8 4.860 4.860 4.192 0.668 18088
33 1 1 . 1 1 8 8 MET CA C 8 56.510 56.510 56.851 -0.341 18088
34 1 1 . 1 1 8 8 MET CB C 8 28.930 28.930 30.711 -1.781 18088
35 1 1 . 1 1 8 8 MET H H 8 8.150 8.150 7.845 0.305 18088
36 1 1 . 1 1 9 9 GLU N N 9 120.410 120.410 118.181 2.229 18088
37 1 1 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.953 0.207 18088
38 1 1 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.540 0.410 18088
39 1 1 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.797 -0.977 18088
40 1 1 . 1 1 9 9 GLU H H 9 8.760 8.760 7.718 1.042 18088
41 1 1 . 1 1 10 10 THR N N 10 118.820 118.820 113.070 5.750 18088
42 1 1 . 1 1 10 10 THR HA H 10 4.130 4.130 4.360 -0.230 18088
43 1 1 . 1 1 10 10 THR CA C 10 67.180 67.180 65.716 1.464 18088
44 1 1 . 1 1 10 10 THR CB C 10 67.770 67.770 69.008 -1.238 18088
45 1 1 . 1 1 10 10 THR H H 10 8.510 8.510 7.928 0.582 18088
46 1 1 . 1 1 11 11 LEU N N 11 121.840 121.840 122.981 -1.141 18088
47 1 1 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.344 -0.264 18088
48 1 1 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.359 1.891 18088
49 1 1 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.097 0.803 18088
50 1 1 . 1 1 11 11 LEU H H 11 8.380 8.380 7.584 0.796 18088
51 1 1 . 1 1 12 12 ILE N N 12 121.310 121.310 118.530 2.780 18088
52 1 1 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.721 -0.181 18088
53 1 1 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.462 0.659 18088
54 1 1 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.139 1.201 18088
55 1 1 . 1 1 12 12 ILE H H 12 8.520 8.520 7.765 0.755 18088
56 1 1 . 1 1 13 13 ASN N N 13 120.570 120.570 119.357 1.213 18088
57 1 1 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.432 -0.062 18088
58 1 1 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.223 0.317 18088
59 1 1 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.513 -0.603 18088
60 1 1 . 1 1 13 13 ASN H H 13 8.700 8.700 7.633 1.067 18088
61 1 1 . 1 1 14 14 VAL N N 14 122.040 122.040 119.920 2.120 18088
62 1 1 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.714 0.166 18088
63 1 1 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.668 -0.158 18088
64 1 1 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.537 0.283 18088
65 1 1 . 1 1 14 14 VAL H H 14 8.900 8.900 7.586 1.314 18088
66 1 1 . 1 1 15 15 PHE N N 15 120.410 120.410 120.297 0.113 18088
67 1 1 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.849 -0.269 18088
68 1 1 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.400 0.980 18088
69 1 1 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.254 0.176 18088
70 1 1 . 1 1 15 15 PHE H H 15 7.490 7.490 7.301 0.189 18088
71 1 1 . 1 1 16 16 HIS N N 16 118.200 118.200 116.524 1.676 18088
72 1 1 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.453 0.767 18088
73 1 1 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.874 -2.544 18088
74 1 1 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.244 -0.064 18088
75 1 1 . 1 1 16 16 HIS H H 16 9.280 9.280 7.947 1.333 18088
76 1 1 . 1 1 17 17 ALA N N 17 121.060 121.060 123.582 -2.522 18088
77 1 1 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.947 -0.117 18088
78 1 1 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.271 0.159 18088
79 1 1 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.724 -1.194 18088
80 1 1 . 1 1 17 17 ALA H H 17 8.180 8.180 7.701 0.479 18088
81 1 1 . 1 1 18 18 HIS N N 18 112.580 112.580 115.400 -2.820 18088
82 1 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.757 -0.377 18088
83 1 1 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.749 1.681 18088
84 1 1 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.541 1.409 18088
85 1 1 . 1 1 18 18 HIS H H 18 7.410 7.410 7.667 -0.257 18088
86 1 1 . 1 1 19 19 SER HA H 19 4.100 4.100 4.056 0.044 18088
87 1 1 . 1 1 19 19 SER CA C 19 60.250 60.250 59.351 0.899 18088
88 1 1 . 1 1 19 19 SER CB C 19 61.700 61.700 64.193 -2.493 18088
89 1 1 . 1 1 20 20 GLY N N 20 106.830 106.830 111.069 -4.239 18088
90 1 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.258 -0.108 18088
91 1 1 . 1 1 20 20 GLY H H 20 8.260 8.260 8.067 0.193 18088
92 1 1 . 1 1 21 21 LYS N N 21 120.310 120.310 123.862 -3.552 18088
93 1 1 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.280 -0.310 18088
94 1 1 . 1 1 21 21 LYS CA C 21 58.500 58.500 57.056 1.444 18088
95 1 1 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.361 0.339 18088
96 1 1 . 1 1 21 21 LYS H H 21 7.670 7.670 8.129 -0.459 18088
97 1 1 . 1 1 22 22 GLU N N 22 117.240 117.240 121.033 -3.793 18088
98 1 1 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.226 0.204 18088
99 1 1 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.803 -2.482 18088
100 1 1 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.018 1.132 18088
101 1 1 . 1 1 22 22 GLU H H 22 7.870 7.870 8.663 -0.793 18088
102 1 1 . 1 1 23 23 GLY N N 23 107.910 107.910 106.144 1.766 18088
103 1 1 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.865 0.995 18088
104 1 1 . 1 1 23 23 GLY H H 23 8.110 8.110 8.407 -0.297 18088
105 1 1 . 1 1 24 24 ASP N N 24 122.900 122.900 121.294 1.606 18088
106 1 1 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.016 -0.466 18088
107 1 1 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.619 -0.129 18088
108 1 1 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.555 -0.195 18088
109 1 1 . 1 1 24 24 ASP H H 24 8.180 8.180 8.103 0.077 18088
110 1 1 . 1 1 25 25 LYS N N 25 124.810 124.810 121.576 3.234 18088
111 1 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.316 -0.226 18088
112 1 1 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.739 -1.359 18088
113 1 1 . 1 1 25 25 LYS CB C 25 31.950 31.950 33.035 -1.085 18088
114 1 1 . 1 1 25 25 LYS H H 25 8.440 8.440 8.799 -0.359 18088
115 1 1 . 1 1 26 26 TYR N N 26 117.200 117.200 116.269 0.931 18088
116 1 1 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.304 0.816 18088
117 1 1 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.297 -2.947 18088
118 1 1 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.049 -0.379 18088
119 1 1 . 1 1 26 26 TYR H H 26 8.490 8.490 8.691 -0.201 18088
120 1 1 . 1 1 27 27 LYS N N 27 118.320 118.320 114.970 3.350 18088
121 1 1 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.952 0.528 18088
122 1 1 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.852 -0.092 18088
123 1 1 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.074 1.347 18088
124 1 1 . 1 1 27 27 LYS H H 27 7.870 7.870 7.271 0.599 18088
125 1 1 . 1 1 28 28 LEU N N 28 121.530 121.530 120.841 0.689 18088
126 1 1 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.653 0.067 18088
127 1 1 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.696 -1.976 18088
128 1 1 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.246 1.134 18088
129 1 1 . 1 1 28 28 LEU H H 28 8.840 8.840 8.121 0.719 18088
130 1 1 . 1 1 29 29 SER N N 29 120.620 120.620 117.733 2.887 18088
131 1 1 . 1 1 29 29 SER HA H 29 5.040 5.040 4.423 0.617 18088
132 1 1 . 1 1 29 29 SER CA C 29 57.850 57.850 59.683 -1.833 18088
133 1 1 . 1 1 29 29 SER CB C 29 64.240 64.240 63.866 0.374 18088
134 1 1 . 1 1 29 29 SER H H 29 8.940 8.940 8.637 0.303 18088
135 1 1 . 1 1 30 30 LYS N N 30 124.390 124.390 122.574 1.816 18088
136 1 1 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.104 -0.244 18088
137 1 1 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.067 1.393 18088
138 1 1 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.739 -0.919 18088
139 1 1 . 1 1 30 30 LYS H H 30 8.810 8.810 8.614 0.196 18088
140 1 1 . 1 1 31 31 LYS N N 31 120.250 120.250 119.638 0.612 18088
141 1 1 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.902 0.268 18088
142 1 1 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.618 -0.328 18088
143 1 1 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.708 0.762 18088
144 1 1 . 1 1 31 31 LYS H H 31 8.740 8.740 7.631 1.109 18088
145 1 1 . 1 1 32 32 GLU N N 32 121.570 121.570 119.432 2.138 18088
146 1 1 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.119 -0.039 18088
147 1 1 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.420 -0.140 18088
148 1 1 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.022 0.218 18088
149 1 1 . 1 1 32 32 GLU H H 32 7.790 7.790 8.590 -0.800 18088
150 1 1 . 1 1 33 33 LEU N N 33 121.720 121.720 121.402 0.318 18088
151 1 1 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.095 -0.095 18088
152 1 1 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.120 0.070 18088
153 1 1 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.169 -1.689 18088
154 1 1 . 1 1 33 33 LEU H H 33 8.890 8.890 8.007 0.883 18088
155 1 1 . 1 1 34 34 LYS N N 34 120.420 120.420 119.539 0.881 18088
156 1 1 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.767 -0.147 18088
157 1 1 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.466 0.374 18088
158 1 1 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.120 -0.370 18088
159 1 1 . 1 1 34 34 LYS H H 34 8.420 8.420 8.490 -0.070 18088
160 1 1 . 1 1 35 35 GLU N N 35 117.260 117.260 118.468 -1.208 18088
161 1 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.041 0.029 18088
162 1 1 . 1 1 35 35 GLU CA C 35 59.250 59.250 59.081 0.169 18088
163 1 1 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.692 -0.642 18088
164 1 1 . 1 1 35 35 GLU H H 35 7.220 7.220 7.559 -0.339 18088
165 1 1 . 1 1 36 36 LEU N N 36 122.740 122.740 120.598 2.142 18088
166 1 1 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.851 -0.121 18088
167 1 1 . 1 1 36 36 LEU CA C 36 59.220 59.220 57.986 1.234 18088
168 1 1 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.185 1.015 18088
169 1 1 . 1 1 36 36 LEU H H 36 8.330 8.330 7.193 1.137 18088
170 1 1 . 1 1 37 37 LEU N N 37 120.360 120.360 114.918 5.442 18088
171 1 1 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.215 -0.535 18088
172 1 1 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.878 0.392 18088
173 1 1 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.241 0.259 18088
174 1 1 . 1 1 37 37 LEU H H 37 8.790 8.790 7.736 1.054 18088
175 1 1 . 1 1 38 38 GLN N N 38 113.560 113.560 118.217 -4.657 18088
176 1 1 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.074 -0.354 18088
177 1 1 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.370 0.310 18088
178 1 1 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.563 0.197 18088
179 1 1 . 1 1 38 38 GLN H H 38 8.100 8.100 8.048 0.052 18088
180 1 1 . 1 1 39 39 THR N N 39 109.810 109.810 116.060 -6.250 18088
181 1 1 . 1 1 39 39 THR HA H 39 4.280 4.280 4.151 0.129 18088
182 1 1 . 1 1 39 39 THR CA C 39 64.510 64.510 65.909 -1.399 18088
183 1 1 . 1 1 39 39 THR CB C 39 69.740 69.740 69.059 0.681 18088
184 1 1 . 1 1 39 39 THR H H 39 7.690 7.690 8.009 -0.319 18088
185 1 1 . 1 1 40 40 GLU N N 40 118.480 118.480 121.165 -2.685 18088
186 1 1 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.241 0.489 18088
187 1 1 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.467 -1.777 18088
188 1 1 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.968 0.122 18088
189 1 1 . 1 1 40 40 GLU H H 40 9.000 9.000 7.725 1.275 18088
190 1 1 . 1 1 41 41 LEU N N 41 120.000 120.000 120.598 -0.598 18088
191 1 1 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.581 0.569 18088
192 1 1 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.196 -0.956 18088
193 1 1 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.760 0.490 18088
194 1 1 . 1 1 41 41 LEU H H 41 7.890 7.890 7.920 -0.030 18088
195 1 1 . 1 1 42 42 SER N N 42 112.560 112.560 116.603 -4.043 18088
196 1 1 . 1 1 42 42 SER HA H 42 3.840 3.840 4.363 -0.523 18088
197 1 1 . 1 1 42 42 SER CA C 42 61.610 61.610 60.973 0.637 18088
198 1 1 . 1 1 42 42 SER CB C 42 62.780 62.780 62.903 -0.123 18088
199 1 1 . 1 1 42 42 SER H H 42 6.890 6.890 7.749 -0.859 18088
200 1 1 . 1 1 43 43 GLY N N 43 114.540 114.540 109.073 5.467 18088
201 1 1 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.343 -0.683 18088
202 1 1 . 1 1 43 43 GLY H H 43 9.310 9.310 7.903 1.407 18088
203 1 1 . 1 1 44 44 PHE N N 44 125.000 125.000 118.707 6.293 18088
204 1 1 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.465 0.115 18088
205 1 1 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.526 -1.916 18088
206 1 1 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.831 -2.371 18088
207 1 1 . 1 1 44 44 PHE H H 44 8.400 8.400 7.470 0.930 18088
208 1 1 . 1 1 45 45 LEU N N 45 116.880 116.880 119.290 -2.410 18088
209 1 1 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.044 -0.534 18088
210 1 1 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.213 0.027 18088
211 1 1 . 1 1 45 45 LEU CB C 45 41.520 41.520 42.003 -0.483 18088
212 1 1 . 1 1 45 45 LEU H H 45 8.550 8.550 7.598 0.952 18088
213 1 1 . 1 1 46 46 ASP N N 46 119.260 119.260 119.992 -0.732 18088
214 1 1 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.441 0.279 18088
215 1 1 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.401 -1.271 18088
216 1 1 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.864 0.597 18088
217 1 1 . 1 1 46 46 ASP H H 46 7.460 7.460 7.923 -0.463 18088
218 1 1 . 1 1 47 47 ALA N N 47 124.850 124.850 122.723 2.127 18088
219 1 1 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.271 0.269 18088
220 1 1 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.312 -0.622 18088
221 1 1 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.480 1.310 18088
222 1 1 . 1 1 47 47 ALA H H 47 7.620 7.620 7.545 0.075 18088
223 1 1 . 1 1 48 48 GLN N N 48 116.830 116.830 117.978 -1.148 18088
224 1 1 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.204 -0.404 18088
225 1 1 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.599 0.551 18088
226 1 1 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.041 0.769 18088
227 1 1 . 1 1 48 48 GLN H H 48 7.740 7.740 7.789 -0.049 18088
228 1 1 . 1 1 49 49 LYS N N 49 121.570 121.570 124.376 -2.806 18088
229 1 1 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.554 -0.434 18088
230 1 1 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.734 -0.904 18088
231 1 1 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.626 -3.576 18088
232 1 1 . 1 1 49 49 LYS H H 49 7.790 7.790 8.577 -0.787 18088
233 1 1 . 1 1 50 50 ASP N N 50 118.910 118.910 123.571 -4.661 18088
234 1 1 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.685 0.005 18088
235 1 1 . 1 1 50 50 ASP CA C 50 51.830 51.830 54.184 -2.354 18088
236 1 1 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.468 0.482 18088
237 1 1 . 1 1 50 50 ASP H H 50 7.480 7.480 8.112 -0.632 18088
238 1 1 . 1 1 51 51 VAL N N 51 122.060 122.060 121.404 0.656 18088
239 1 1 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.573 0.327 18088
240 1 1 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.413 -0.683 18088
241 1 1 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.746 0.204 18088
242 1 1 . 1 1 51 51 VAL H H 51 7.820 7.820 8.718 -0.898 18088
243 1 1 . 1 1 52 52 ASP N N 52 120.090 120.090 119.977 0.113 18088
244 1 1 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.284 0.096 18088
245 1 1 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.422 -0.163 18088
246 1 1 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.935 0.645 18088
247 1 1 . 1 1 52 52 ASP H H 52 8.190 8.190 8.429 -0.239 18088
248 1 1 . 1 1 53 53 ALA N N 53 122.110 122.110 121.945 0.165 18088
249 1 1 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.211 -0.171 18088
250 1 1 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.892 -0.292 18088
251 1 1 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.720 -0.040 18088
252 1 1 . 1 1 53 53 ALA H H 53 7.620 7.620 8.626 -1.006 18088
253 1 1 . 1 1 54 54 VAL N N 54 118.070 118.070 118.819 -0.749 18088
254 1 1 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.549 -0.129 18088
255 1 1 . 1 1 54 54 VAL CA C 54 66.340 66.340 67.300 -0.960 18088
256 1 1 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.548 0.462 18088
257 1 1 . 1 1 54 54 VAL H H 54 7.380 7.380 7.692 -0.312 18088
258 1 1 . 1 1 55 55 ASP N N 55 119.590 119.590 117.925 1.665 18088
259 1 1 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.456 -0.146 18088
260 1 1 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.895 0.475 18088
261 1 1 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.760 0.200 18088
262 1 1 . 1 1 55 55 ASP H H 55 8.500 8.500 8.309 0.191 18088
263 1 1 . 1 1 56 56 LYS N N 56 118.010 118.010 119.948 -1.938 18088
264 1 1 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.110 -0.170 18088
265 1 1 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.170 0.590 18088
266 1 1 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.554 -0.044 18088
267 1 1 . 1 1 56 56 LYS H H 56 7.970 7.970 7.202 0.768 18088
268 1 1 . 1 1 57 57 VAL N N 57 119.390 119.390 119.975 -0.585 18088
269 1 1 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.630 0.080 18088
270 1 1 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.785 0.255 18088
271 1 1 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.483 0.617 18088
272 1 1 . 1 1 57 57 VAL H H 57 7.310 7.310 8.223 -0.913 18088
273 1 1 . 1 1 58 58 MET N N 58 116.040 116.040 116.515 -0.475 18088
274 1 1 . 1 1 58 58 MET HA H 58 4.120 4.120 4.071 0.049 18088
275 1 1 . 1 1 58 58 MET CA C 58 57.430 57.430 59.290 -1.860 18088
276 1 1 . 1 1 58 58 MET CB C 58 31.260 31.260 32.196 -0.936 18088
277 1 1 . 1 1 58 58 MET H H 58 8.370 8.370 7.497 0.873 18088
278 1 1 . 1 1 59 59 LYS N N 59 118.900 118.900 118.484 0.416 18088
279 1 1 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.037 0.033 18088
280 1 1 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.893 0.237 18088
281 1 1 . 1 1 59 59 LYS CB C 59 32.390 32.390 31.974 0.416 18088
282 1 1 . 1 1 59 59 LYS H H 59 8.600 8.600 7.588 1.012 18088
283 1 1 . 1 1 60 60 GLU N N 60 119.880 119.880 119.643 0.237 18088
284 1 1 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.064 -0.024 18088
285 1 1 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.311 0.219 18088
286 1 1 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.803 -1.253 18088
287 1 1 . 1 1 60 60 GLU H H 60 7.430 7.430 7.860 -0.430 18088
288 1 1 . 1 1 61 61 LEU N N 61 116.900 116.900 116.887 0.013 18088
289 1 1 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.159 -0.219 18088
290 1 1 . 1 1 61 61 LEU CA C 61 57.210 57.210 56.944 0.266 18088
291 1 1 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.569 -1.039 18088
292 1 1 . 1 1 61 61 LEU H H 61 7.600 7.600 7.405 0.195 18088
293 1 1 . 1 1 62 62 ASP N N 62 115.990 115.990 118.039 -2.049 18088
294 1 1 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.356 0.114 18088
295 1 1 . 1 1 62 62 ASP CA C 62 56.120 56.120 56.940 -0.820 18088
296 1 1 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.170 0.360 18088
297 1 1 . 1 1 62 62 ASP H H 62 7.590 7.590 7.964 -0.374 18088
298 1 1 . 1 1 63 63 GLU N N 63 118.920 118.920 117.196 1.724 18088
299 1 1 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.286 -0.176 18088
300 1 1 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.108 -0.079 18088
301 1 1 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.575 0.426 18088
302 1 1 . 1 1 63 63 GLU H H 63 8.120 8.120 7.781 0.339 18088
303 1 1 . 1 1 64 64 ASN N N 64 117.750 117.750 118.021 -0.271 18088
304 1 1 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.928 0.242 18088
305 1 1 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.877 -1.008 18088
306 1 1 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.485 0.125 18088
307 1 1 . 1 1 64 64 ASN H H 64 7.730 7.730 7.631 0.099 18088
308 1 1 . 1 1 65 65 GLY N N 65 107.100 107.100 109.804 -2.704 18088
309 1 1 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.372 0.508 18088
310 1 1 . 1 1 65 65 GLY H H 65 7.750 7.750 7.788 -0.038 18088
311 1 1 . 1 1 66 66 ASP N N 66 115.630 115.630 120.557 -4.927 18088
312 1 1 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.665 0.165 18088
313 1 1 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.288 -0.238 18088
314 1 1 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.123 -0.563 18088
315 1 1 . 1 1 66 66 ASP H H 66 8.320 8.320 8.359 -0.039 18088
316 1 1 . 1 1 67 67 GLY N N 67 109.240 109.240 107.463 1.777 18088
317 1 1 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.227 -0.437 18088
318 1 1 . 1 1 67 67 GLY H H 67 8.260 8.260 7.868 0.392 18088
319 1 1 . 1 1 68 68 GLU N N 68 117.540 117.540 117.067 0.473 18088
320 1 1 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.597 0.653 18088
321 1 1 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.589 -0.619 18088
322 1 1 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.488 0.402 18088
323 1 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.024 0.476 18088
324 1 1 . 1 1 69 69 VAL N N 69 115.550 115.550 119.212 -3.662 18088
325 1 1 . 1 1 69 69 VAL HA H 69 4.960 4.960 5.393 -0.433 18088
326 1 1 . 1 1 69 69 VAL CA C 69 59.070 59.070 58.456 0.614 18088
327 1 1 . 1 1 69 69 VAL CB C 69 35.010 35.010 36.288 -1.278 18088
328 1 1 . 1 1 69 69 VAL H H 69 9.190 9.190 8.608 0.582 18088
329 1 1 . 1 1 70 70 ASP N N 70 121.130 121.130 121.000 0.130 18088
330 1 1 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.003 0.557 18088
331 1 1 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.936 -1.936 18088
332 1 1 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.462 0.208 18088
333 1 1 . 1 1 70 70 ASP H H 70 8.320 8.320 8.103 0.217 18088
334 1 1 . 1 1 71 71 PHE N N 71 119.290 119.290 120.018 -0.728 18088
335 1 1 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.184 -0.714 18088
336 1 1 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.393 -0.933 18088
337 1 1 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.809 0.421 18088
338 1 1 . 1 1 71 71 PHE H H 71 9.480 9.480 8.681 0.799 18088
339 1 1 . 1 1 72 72 GLN N N 72 116.810 116.810 118.773 -1.963 18088
340 1 1 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.871 -0.461 18088
341 1 1 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.629 1.021 18088
342 1 1 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.276 0.454 18088
343 1 1 . 1 1 72 72 GLN H H 72 8.140 8.140 8.661 -0.521 18088
344 1 1 . 1 1 73 73 GLU N N 73 119.590 119.590 118.737 0.853 18088
345 1 1 . 1 1 73 73 GLU HA H 73 3.960 3.960 3.997 -0.037 18088
346 1 1 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.912 0.218 18088
347 1 1 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.767 0.423 18088
348 1 1 . 1 1 73 73 GLU H H 73 8.260 8.260 9.256 -0.996 18088
349 1 1 . 1 1 74 74 TYR N N 74 122.520 122.520 121.944 0.576 18088
350 1 1 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.131 0.199 18088
351 1 1 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.071 -0.951 18088
352 1 1 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.313 -1.603 18088
353 1 1 . 1 1 74 74 TYR H H 74 8.240 8.240 8.519 -0.279 18088
354 1 1 . 1 1 75 75 VAL N N 75 120.300 120.300 117.914 2.386 18088
355 1 1 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.128 -0.478 18088
356 1 1 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.624 1.256 18088
357 1 1 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.446 -1.016 18088
358 1 1 . 1 1 75 75 VAL H H 75 7.980 7.980 7.955 0.025 18088
359 1 1 . 1 1 76 76 VAL N N 76 119.180 119.180 120.401 -1.221 18088
360 1 1 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.585 -0.255 18088
361 1 1 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.159 0.491 18088
362 1 1 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.127 0.463 18088
363 1 1 . 1 1 76 76 VAL H H 76 7.560 7.560 8.001 -0.441 18088
364 1 1 . 1 1 77 77 LEU N N 77 121.440 121.440 119.859 1.581 18088
365 1 1 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.971 0.169 18088
366 1 1 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.098 0.082 18088
367 1 1 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.756 0.194 18088
368 1 1 . 1 1 77 77 LEU H H 77 7.740 7.740 7.280 0.460 18088
369 1 1 . 1 1 78 78 VAL N N 78 119.220 119.220 115.172 4.048 18088
370 1 1 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.513 -0.073 18088
371 1 1 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.594 1.536 18088
372 1 1 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.038 0.272 18088
373 1 1 . 1 1 78 78 VAL H H 78 8.320 8.320 7.045 1.275 18088
374 1 1 . 1 1 79 79 ALA N N 79 124.780 124.780 121.127 3.653 18088
375 1 1 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.115 -0.105 18088
376 1 1 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.819 2.041 18088
377 1 1 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.338 -0.378 18088
378 1 1 . 1 1 79 79 ALA H H 79 9.000 9.000 7.876 1.124 18088
379 1 1 . 1 1 80 80 ALA N N 80 121.760 121.760 121.234 0.526 18088
380 1 1 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.958 -0.038 18088
381 1 1 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.546 0.624 18088
382 1 1 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.201 -0.721 18088
383 1 1 . 1 1 80 80 ALA H H 80 8.240 8.240 7.621 0.619 18088
384 1 1 . 1 1 81 81 LEU N N 81 118.310 118.310 117.482 0.828 18088
385 1 1 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.079 -0.429 18088
386 1 1 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.372 -0.062 18088
387 1 1 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.934 -1.284 18088
388 1 1 . 1 1 81 81 LEU H H 81 7.920 7.920 7.411 0.509 18088
389 1 1 . 1 1 82 82 THR N N 82 116.240 116.240 115.794 0.446 18088
390 1 1 . 1 1 82 82 THR HA H 82 3.710 3.710 3.938 -0.228 18088
391 1 1 . 1 1 82 82 THR CA C 82 68.770 68.770 66.414 2.356 18088
392 1 1 . 1 1 82 82 THR CB C 82 67.420 67.420 68.324 -0.904 18088
393 1 1 . 1 1 82 82 THR H H 82 8.120 8.120 7.624 0.496 18088
394 1 1 . 1 1 83 83 VAL N N 83 120.000 120.000 113.159 6.841 18088
395 1 1 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.562 -0.532 18088
396 1 1 . 1 1 83 83 VAL CA C 83 64.950 64.950 60.678 4.272 18088
397 1 1 . 1 1 83 83 VAL CB C 83 30.850 30.850 30.576 0.274 18088
398 1 1 . 1 1 83 83 VAL H H 83 7.780 7.780 7.269 0.511 18088
399 1 1 . 1 1 87 87 ASN N N 87 124.810 124.810 117.253 7.557 18088
400 1 1 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.096 0.134 18088
401 1 1 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.256 1.774 18088
402 1 1 . 1 1 87 87 ASN CB C 87 38.270 38.270 37.914 0.356 18088
403 1 1 . 1 1 87 87 ASN H H 87 9.130 9.130 7.472 1.658 18088
404 1 1 . 1 1 88 88 PHE N N 88 120.680 120.680 115.287 5.393 18088
405 1 1 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.214 -0.124 18088
406 1 1 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.520 1.310 18088
407 1 1 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.768 0.542 18088
408 1 1 . 1 1 88 88 PHE H H 88 8.650 8.650 7.155 1.495 18088
409 1 1 . 1 1 89 89 PHE N N 89 112.580 112.580 114.818 -2.238 18088
410 1 1 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.733 -0.933 18088
411 1 1 . 1 1 89 89 PHE CA C 89 58.910 58.910 58.214 0.696 18088
412 1 1 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.114 -2.234 18088
413 1 1 . 1 1 89 89 PHE H H 89 7.410 7.410 7.616 -0.206 18088
414 1 1 . 1 1 90 90 TRP N N 90 118.690 118.690 122.377 -3.687 18088
415 1 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.686 -0.096 18088
416 1 1 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.519 -0.219 18088
417 1 1 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.561 3.619 18088
418 1 1 . 1 1 90 90 TRP H H 90 7.370 7.370 8.302 -0.932 18088
419 1 1 . 1 1 91 91 GLU N N 91 121.380 121.380 119.878 1.502 18088
420 1 1 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.416 -0.076 18088
421 1 1 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.210 0.260 18088
422 1 1 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.932 -0.502 18088
423 1 1 . 1 1 91 91 GLU H H 91 7.820 7.820 8.231 -0.411 18088
424 1 1 . 1 1 92 92 ASN N N 92 120.640 120.640 123.900 -3.260 18088
425 1 1 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.743 0.057 18088
426 1 1 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.472 -0.932 18088
427 1 1 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.856 0.124 18088
428 1 1 . 1 1 92 92 ASN H H 92 8.560 8.560 8.694 -0.134 18088
429 1 2 . 1 1 2 2 SER N N 2 118.720 118.720 113.947 4.773 18088
430 1 2 . 1 1 2 2 SER HA H 2 4.690 4.690 4.653 0.037 18088
431 1 2 . 1 1 2 2 SER CA C 2 57.270 57.270 56.737 0.533 18088
432 1 2 . 1 1 2 2 SER CB C 2 65.140 65.140 65.013 0.127 18088
433 1 2 . 1 1 2 2 SER H H 2 9.270 9.270 7.894 1.376 18088
434 1 2 . 1 1 3 3 GLU N N 3 122.920 122.920 123.356 -0.436 18088
435 1 2 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.161 -0.041 18088
436 1 2 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.475 1.015 18088
437 1 2 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.497 -0.527 18088
438 1 2 . 1 1 3 3 GLU H H 3 9.260 9.260 8.906 0.354 18088
439 1 2 . 1 1 4 4 LEU N N 4 121.140 121.140 116.424 4.716 18088
440 1 2 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.113 -0.073 18088
441 1 2 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.060 -0.000 18088
442 1 2 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.333 0.857 18088
443 1 2 . 1 1 4 4 LEU H H 4 8.920 8.920 7.525 1.395 18088
444 1 2 . 1 1 5 5 GLU N N 5 118.710 118.710 119.876 -1.166 18088
445 1 2 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.072 -0.792 18088
446 1 2 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.217 0.453 18088
447 1 2 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.377 -0.227 18088
448 1 2 . 1 1 5 5 GLU H H 5 7.880 7.880 7.754 0.126 18088
449 1 2 . 1 1 6 6 THR N N 6 116.050 116.050 116.075 -0.025 18088
450 1 2 . 1 1 6 6 THR HA H 6 4.020 4.020 4.076 -0.056 18088
451 1 2 . 1 1 6 6 THR CA C 6 66.580 66.580 66.375 0.205 18088
452 1 2 . 1 1 6 6 THR CB C 6 68.620 68.620 68.596 0.025 18088
453 1 2 . 1 1 6 6 THR H H 6 8.440 8.440 7.605 0.835 18088
454 1 2 . 1 1 7 7 ALA N N 7 125.840 125.840 125.293 0.547 18088
455 1 2 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.034 0.246 18088
456 1 2 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.208 0.392 18088
457 1 2 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.240 -0.170 18088
458 1 2 . 1 1 7 7 ALA H H 7 8.320 8.320 7.929 0.391 18088
459 1 2 . 1 1 8 8 MET N N 8 115.330 115.330 116.983 -1.653 18088
460 1 2 . 1 1 8 8 MET HA H 8 4.860 4.860 4.138 0.722 18088
461 1 2 . 1 1 8 8 MET CA C 8 56.510 56.510 57.690 -1.180 18088
462 1 2 . 1 1 8 8 MET CB C 8 28.930 28.930 31.172 -2.243 18088
463 1 2 . 1 1 8 8 MET H H 8 8.150 8.150 7.629 0.521 18088
464 1 2 . 1 1 9 9 GLU N N 9 120.410 120.410 118.611 1.799 18088
465 1 2 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.048 0.112 18088
466 1 2 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.735 0.215 18088
467 1 2 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.694 -0.874 18088
468 1 2 . 1 1 9 9 GLU H H 9 8.760 8.760 7.754 1.006 18088
469 1 2 . 1 1 10 10 THR N N 10 118.820 118.820 113.263 5.557 18088
470 1 2 . 1 1 10 10 THR HA H 10 4.130 4.130 4.347 -0.217 18088
471 1 2 . 1 1 10 10 THR CA C 10 67.180 67.180 65.709 1.471 18088
472 1 2 . 1 1 10 10 THR CB C 10 67.770 67.770 68.815 -1.045 18088
473 1 2 . 1 1 10 10 THR H H 10 8.510 8.510 7.963 0.547 18088
474 1 2 . 1 1 11 11 LEU N N 11 121.840 121.840 122.421 -0.581 18088
475 1 2 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.336 -0.256 18088
476 1 2 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.226 2.024 18088
477 1 2 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.134 0.766 18088
478 1 2 . 1 1 11 11 LEU H H 11 8.380 8.380 7.517 0.863 18088
479 1 2 . 1 1 12 12 ILE N N 12 121.310 121.310 118.083 3.227 18088
480 1 2 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.957 -0.417 18088
481 1 2 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.324 0.796 18088
482 1 2 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.322 1.018 18088
483 1 2 . 1 1 12 12 ILE H H 12 8.520 8.520 7.439 1.081 18088
484 1 2 . 1 1 13 13 ASN N N 13 120.570 120.570 118.945 1.625 18088
485 1 2 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.495 -0.125 18088
486 1 2 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.138 0.402 18088
487 1 2 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.233 -0.323 18088
488 1 2 . 1 1 13 13 ASN H H 13 8.700 8.700 7.570 1.130 18088
489 1 2 . 1 1 14 14 VAL N N 14 122.040 122.040 120.132 1.908 18088
490 1 2 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.576 0.304 18088
491 1 2 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.323 0.187 18088
492 1 2 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.660 0.160 18088
493 1 2 . 1 1 14 14 VAL H H 14 8.900 8.900 7.466 1.434 18088
494 1 2 . 1 1 15 15 PHE N N 15 120.410 120.410 119.908 0.502 18088
495 1 2 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.803 -0.223 18088
496 1 2 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.526 0.854 18088
497 1 2 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.196 0.234 18088
498 1 2 . 1 1 15 15 PHE H H 15 7.490 7.490 7.415 0.075 18088
499 1 2 . 1 1 16 16 HIS N N 16 118.200 118.200 118.789 -0.589 18088
500 1 2 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.436 0.784 18088
501 1 2 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.301 -1.971 18088
502 1 2 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.593 0.587 18088
503 1 2 . 1 1 16 16 HIS H H 16 9.280 9.280 8.270 1.010 18088
504 1 2 . 1 1 17 17 ALA N N 17 121.060 121.060 122.012 -0.952 18088
505 1 2 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.918 -0.088 18088
506 1 2 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.158 0.272 18088
507 1 2 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.689 -1.159 18088
508 1 2 . 1 1 17 17 ALA H H 17 8.180 8.180 7.316 0.864 18088
509 1 2 . 1 1 18 18 HIS N N 18 112.580 112.580 113.539 -0.959 18088
510 1 2 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.731 -0.351 18088
511 1 2 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.521 1.909 18088
512 1 2 . 1 1 18 18 HIS CB C 18 30.950 30.950 31.625 -0.675 18088
513 1 2 . 1 1 18 18 HIS H H 18 7.410 7.410 7.542 -0.132 18088
514 1 2 . 1 1 19 19 SER HA H 19 4.100 4.100 4.115 -0.015 18088
515 1 2 . 1 1 19 19 SER CA C 19 60.250 60.250 58.666 1.584 18088
516 1 2 . 1 1 19 19 SER CB C 19 61.700 61.700 64.345 -2.645 18088
517 1 2 . 1 1 20 20 GLY N N 20 106.830 106.830 112.539 -5.709 18088
518 1 2 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.388 -0.238 18088
519 1 2 . 1 1 20 20 GLY H H 20 8.260 8.260 8.236 0.024 18088
520 1 2 . 1 1 21 21 LYS N N 21 120.310 120.310 123.688 -3.378 18088
521 1 2 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.479 -0.509 18088
522 1 2 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.704 1.796 18088
523 1 2 . 1 1 21 21 LYS CB C 21 32.700 32.700 33.738 -1.038 18088
524 1 2 . 1 1 21 21 LYS H H 21 7.670 7.670 8.452 -0.782 18088
525 1 2 . 1 1 22 22 GLU N N 22 117.240 117.240 119.725 -2.485 18088
526 1 2 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.258 0.172 18088
527 1 2 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.382 -2.062 18088
528 1 2 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.999 1.151 18088
529 1 2 . 1 1 22 22 GLU H H 22 7.870 7.870 8.601 -0.731 18088
530 1 2 . 1 1 23 23 GLY N N 23 107.910 107.910 108.412 -0.502 18088
531 1 2 . 1 1 23 23 GLY CA C 23 45.860 45.860 45.039 0.820 18088
532 1 2 . 1 1 23 23 GLY H H 23 8.110 8.110 8.425 -0.315 18088
533 1 2 . 1 1 24 24 ASP N N 24 122.900 122.900 121.390 1.510 18088
534 1 2 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.902 -0.352 18088
535 1 2 . 1 1 24 24 ASP CA C 24 53.490 53.490 52.265 1.225 18088
536 1 2 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.415 0.945 18088
537 1 2 . 1 1 24 24 ASP H H 24 8.180 8.180 7.966 0.214 18088
538 1 2 . 1 1 25 25 LYS N N 25 124.810 124.810 125.968 -1.158 18088
539 1 2 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.233 -0.143 18088
540 1 2 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.070 -1.690 18088
541 1 2 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.545 -0.596 18088
542 1 2 . 1 1 25 25 LYS H H 25 8.440 8.440 8.847 -0.407 18088
543 1 2 . 1 1 26 26 TYR N N 26 117.200 117.200 116.488 0.712 18088
544 1 2 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.456 0.664 18088
545 1 2 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.910 -2.560 18088
546 1 2 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.113 -0.443 18088
547 1 2 . 1 1 26 26 TYR H H 26 8.490 8.490 8.471 0.019 18088
548 1 2 . 1 1 27 27 LYS N N 27 118.320 118.320 117.973 0.347 18088
549 1 2 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.862 0.618 18088
550 1 2 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.347 -0.587 18088
551 1 2 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.353 1.067 18088
552 1 2 . 1 1 27 27 LYS H H 27 7.870 7.870 7.958 -0.088 18088
553 1 2 . 1 1 28 28 LEU N N 28 121.530 121.530 122.435 -0.905 18088
554 1 2 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.978 -0.258 18088
555 1 2 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.832 -1.112 18088
556 1 2 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.353 0.027 18088
557 1 2 . 1 1 28 28 LEU H H 28 8.840 8.840 8.130 0.710 18088
558 1 2 . 1 1 29 29 SER N N 29 120.620 120.620 116.366 4.254 18088
559 1 2 . 1 1 29 29 SER HA H 29 5.040 5.040 4.526 0.514 18088
560 1 2 . 1 1 29 29 SER CA C 29 57.850 57.850 58.665 -0.815 18088
561 1 2 . 1 1 29 29 SER CB C 29 64.240 64.240 63.951 0.289 18088
562 1 2 . 1 1 29 29 SER H H 29 8.940 8.940 8.545 0.395 18088
563 1 2 . 1 1 30 30 LYS N N 30 124.390 124.390 122.522 1.868 18088
564 1 2 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.086 -0.226 18088
565 1 2 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.971 1.489 18088
566 1 2 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.732 -0.912 18088
567 1 2 . 1 1 30 30 LYS H H 30 8.810 8.810 8.516 0.294 18088
568 1 2 . 1 1 31 31 LYS N N 31 120.250 120.250 119.454 0.796 18088
569 1 2 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.906 0.264 18088
570 1 2 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.529 -0.239 18088
571 1 2 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.813 0.657 18088
572 1 2 . 1 1 31 31 LYS H H 31 8.740 8.740 7.817 0.923 18088
573 1 2 . 1 1 32 32 GLU N N 32 121.570 121.570 119.034 2.536 18088
574 1 2 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.094 -0.014 18088
575 1 2 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.598 -0.318 18088
576 1 2 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.025 0.215 18088
577 1 2 . 1 1 32 32 GLU H H 32 7.790 7.790 8.584 -0.794 18088
578 1 2 . 1 1 33 33 LEU N N 33 121.720 121.720 121.482 0.238 18088
579 1 2 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.056 -0.056 18088
580 1 2 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.428 -0.238 18088
581 1 2 . 1 1 33 33 LEU CB C 33 40.480 40.480 41.951 -1.471 18088
582 1 2 . 1 1 33 33 LEU H H 33 8.890 8.890 8.191 0.699 18088
583 1 2 . 1 1 34 34 LYS N N 34 120.420 120.420 119.802 0.618 18088
584 1 2 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.833 -0.213 18088
585 1 2 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.684 0.156 18088
586 1 2 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.041 -0.291 18088
587 1 2 . 1 1 34 34 LYS H H 34 8.420 8.420 7.954 0.466 18088
588 1 2 . 1 1 35 35 GLU N N 35 117.260 117.260 118.750 -1.490 18088
589 1 2 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.008 0.062 18088
590 1 2 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.917 0.333 18088
591 1 2 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.653 -0.603 18088
592 1 2 . 1 1 35 35 GLU H H 35 7.220 7.220 7.518 -0.298 18088
593 1 2 . 1 1 36 36 LEU N N 36 122.740 122.740 121.231 1.509 18088
594 1 2 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.752 -0.022 18088
595 1 2 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.148 1.072 18088
596 1 2 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.371 0.829 18088
597 1 2 . 1 1 36 36 LEU H H 36 8.330 8.330 7.506 0.824 18088
598 1 2 . 1 1 37 37 LEU N N 37 120.360 120.360 115.137 5.223 18088
599 1 2 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.226 -0.545 18088
600 1 2 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.797 0.473 18088
601 1 2 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.228 0.272 18088
602 1 2 . 1 1 37 37 LEU H H 37 8.790 8.790 7.555 1.235 18088
603 1 2 . 1 1 38 38 GLN N N 38 113.560 113.560 118.753 -5.193 18088
604 1 2 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.032 -0.311 18088
605 1 2 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.450 0.230 18088
606 1 2 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.340 0.420 18088
607 1 2 . 1 1 38 38 GLN H H 38 8.100 8.100 8.451 -0.351 18088
608 1 2 . 1 1 39 39 THR N N 39 109.810 109.810 115.543 -5.733 18088
609 1 2 . 1 1 39 39 THR HA H 39 4.280 4.280 4.112 0.168 18088
610 1 2 . 1 1 39 39 THR CA C 39 64.510 64.510 65.847 -1.337 18088
611 1 2 . 1 1 39 39 THR CB C 39 69.740 69.740 68.779 0.961 18088
612 1 2 . 1 1 39 39 THR H H 39 7.690 7.690 7.766 -0.076 18088
613 1 2 . 1 1 40 40 GLU N N 40 118.480 118.480 121.108 -2.628 18088
614 1 2 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.271 0.459 18088
615 1 2 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.446 -1.756 18088
616 1 2 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.065 0.025 18088
617 1 2 . 1 1 40 40 GLU H H 40 9.000 9.000 7.730 1.270 18088
618 1 2 . 1 1 41 41 LEU N N 41 120.000 120.000 120.561 -0.561 18088
619 1 2 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.532 0.618 18088
620 1 2 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.096 -0.856 18088
621 1 2 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.648 0.602 18088
622 1 2 . 1 1 41 41 LEU H H 41 7.890 7.890 8.335 -0.445 18088
623 1 2 . 1 1 42 42 SER N N 42 112.560 112.560 116.781 -4.221 18088
624 1 2 . 1 1 42 42 SER HA H 42 3.840 3.840 4.307 -0.467 18088
625 1 2 . 1 1 42 42 SER CA C 42 61.610 61.610 62.041 -0.431 18088
626 1 2 . 1 1 42 42 SER CB C 42 62.780 62.780 62.903 -0.123 18088
627 1 2 . 1 1 42 42 SER H H 42 6.890 6.890 7.734 -0.844 18088
628 1 2 . 1 1 43 43 GLY N N 43 114.540 114.540 108.726 5.814 18088
629 1 2 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.352 -0.692 18088
630 1 2 . 1 1 43 43 GLY H H 43 9.310 9.310 8.223 1.087 18088
631 1 2 . 1 1 44 44 PHE N N 44 125.000 125.000 118.774 6.226 18088
632 1 2 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.488 0.092 18088
633 1 2 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.499 -1.889 18088
634 1 2 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.969 -2.509 18088
635 1 2 . 1 1 44 44 PHE H H 44 8.400 8.400 7.717 0.683 18088
636 1 2 . 1 1 45 45 LEU N N 45 116.880 116.880 122.131 -5.251 18088
637 1 2 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.033 -0.523 18088
638 1 2 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.298 -0.058 18088
639 1 2 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.728 -0.208 18088
640 1 2 . 1 1 45 45 LEU H H 45 8.550 8.550 8.185 0.365 18088
641 1 2 . 1 1 46 46 ASP N N 46 119.260 119.260 119.696 -0.436 18088
642 1 2 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.438 0.282 18088
643 1 2 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.631 -1.501 18088
644 1 2 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.687 0.773 18088
645 1 2 . 1 1 46 46 ASP H H 46 7.460 7.460 8.000 -0.540 18088
646 1 2 . 1 1 47 47 ALA N N 47 124.850 124.850 122.046 2.804 18088
647 1 2 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.384 0.156 18088
648 1 2 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.524 -0.834 18088
649 1 2 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.398 1.392 18088
650 1 2 . 1 1 47 47 ALA H H 47 7.620 7.620 7.517 0.103 18088
651 1 2 . 1 1 48 48 GLN N N 48 116.830 116.830 119.448 -2.618 18088
652 1 2 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.072 -0.272 18088
653 1 2 . 1 1 48 48 GLN CA C 48 57.150 57.150 57.817 -0.667 18088
654 1 2 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.511 1.299 18088
655 1 2 . 1 1 48 48 GLN H H 48 7.740 7.740 8.097 -0.357 18088
656 1 2 . 1 1 49 49 LYS N N 49 121.570 121.570 118.461 3.109 18088
657 1 2 . 1 1 49 49 LYS HA H 49 4.120 4.120 3.961 0.159 18088
658 1 2 . 1 1 49 49 LYS CA C 49 55.830 55.830 58.364 -2.534 18088
659 1 2 . 1 1 49 49 LYS CB C 49 31.050 31.050 31.458 -0.408 18088
660 1 2 . 1 1 49 49 LYS H H 49 7.790 7.790 8.299 -0.509 18088
661 1 2 . 1 1 50 50 ASP N N 50 118.910 118.910 122.529 -3.619 18088
662 1 2 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.629 0.061 18088
663 1 2 . 1 1 50 50 ASP CA C 50 51.830 51.830 54.484 -2.654 18088
664 1 2 . 1 1 50 50 ASP CB C 50 39.950 39.950 40.141 -0.191 18088
665 1 2 . 1 1 50 50 ASP H H 50 7.480 7.480 8.237 -0.757 18088
666 1 2 . 1 1 51 51 VAL N N 51 122.060 122.060 124.253 -2.193 18088
667 1 2 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.717 0.183 18088
668 1 2 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.793 -1.062 18088
669 1 2 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.302 0.648 18088
670 1 2 . 1 1 51 51 VAL H H 51 7.820 7.820 8.893 -1.073 18088
671 1 2 . 1 1 52 52 ASP N N 52 120.090 120.090 120.322 -0.232 18088
672 1 2 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.320 0.060 18088
673 1 2 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.662 -0.402 18088
674 1 2 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.016 0.564 18088
675 1 2 . 1 1 52 52 ASP H H 52 8.190 8.190 8.568 -0.378 18088
676 1 2 . 1 1 53 53 ALA N N 53 122.110 122.110 121.890 0.220 18088
677 1 2 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.251 -0.211 18088
678 1 2 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.840 -0.240 18088
679 1 2 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.825 -0.145 18088
680 1 2 . 1 1 53 53 ALA H H 53 7.620 7.620 8.232 -0.612 18088
681 1 2 . 1 1 54 54 VAL N N 54 118.070 118.070 119.339 -1.269 18088
682 1 2 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.593 -0.173 18088
683 1 2 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.827 -0.487 18088
684 1 2 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.060 0.950 18088
685 1 2 . 1 1 54 54 VAL H H 54 7.380 7.380 7.548 -0.168 18088
686 1 2 . 1 1 55 55 ASP N N 55 119.590 119.590 118.092 1.498 18088
687 1 2 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.513 -0.203 18088
688 1 2 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.623 0.747 18088
689 1 2 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.937 0.023 18088
690 1 2 . 1 1 55 55 ASP H H 55 8.500 8.500 8.610 -0.110 18088
691 1 2 . 1 1 56 56 LYS N N 56 118.010 118.010 120.137 -2.127 18088
692 1 2 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.161 -0.221 18088
693 1 2 . 1 1 56 56 LYS CA C 56 59.760 59.760 58.974 0.786 18088
694 1 2 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.829 -0.319 18088
695 1 2 . 1 1 56 56 LYS H H 56 7.970 7.970 7.468 0.502 18088
696 1 2 . 1 1 57 57 VAL N N 57 119.390 119.390 121.108 -1.718 18088
697 1 2 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.959 -0.249 18088
698 1 2 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.613 0.427 18088
699 1 2 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.717 0.383 18088
700 1 2 . 1 1 57 57 VAL H H 57 7.310 7.310 8.366 -1.056 18088
701 1 2 . 1 1 58 58 MET N N 58 116.040 116.040 116.647 -0.607 18088
702 1 2 . 1 1 58 58 MET HA H 58 4.120 4.120 4.154 -0.034 18088
703 1 2 . 1 1 58 58 MET CA C 58 57.430 57.430 58.257 -0.827 18088
704 1 2 . 1 1 58 58 MET CB C 58 31.260 31.260 31.482 -0.222 18088
705 1 2 . 1 1 58 58 MET H H 58 8.370 8.370 7.601 0.769 18088
706 1 2 . 1 1 59 59 LYS N N 59 118.900 118.900 118.542 0.358 18088
707 1 2 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.036 0.034 18088
708 1 2 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.907 0.223 18088
709 1 2 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.026 0.364 18088
710 1 2 . 1 1 59 59 LYS H H 59 8.600 8.600 7.684 0.916 18088
711 1 2 . 1 1 60 60 GLU N N 60 119.880 119.880 119.498 0.382 18088
712 1 2 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.089 -0.049 18088
713 1 2 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.215 0.315 18088
714 1 2 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.753 -1.203 18088
715 1 2 . 1 1 60 60 GLU H H 60 7.430 7.430 7.695 -0.265 18088
716 1 2 . 1 1 61 61 LEU N N 61 116.900 116.900 118.359 -1.459 18088
717 1 2 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.161 -0.221 18088
718 1 2 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.423 -0.213 18088
719 1 2 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.376 -0.846 18088
720 1 2 . 1 1 61 61 LEU H H 61 7.600 7.600 7.527 0.073 18088
721 1 2 . 1 1 62 62 ASP N N 62 115.990 115.990 119.949 -3.959 18088
722 1 2 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.358 0.112 18088
723 1 2 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.170 -1.050 18088
724 1 2 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.993 0.537 18088
725 1 2 . 1 1 62 62 ASP H H 62 7.590 7.590 8.089 -0.499 18088
726 1 2 . 1 1 63 63 GLU N N 63 118.920 118.920 115.742 3.178 18088
727 1 2 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.425 -0.315 18088
728 1 2 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.086 0.944 18088
729 1 2 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.828 0.172 18088
730 1 2 . 1 1 63 63 GLU H H 63 8.120 8.120 7.761 0.359 18088
731 1 2 . 1 1 64 64 ASN N N 64 117.750 117.750 118.254 -0.504 18088
732 1 2 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.972 0.198 18088
733 1 2 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.020 -1.150 18088
734 1 2 . 1 1 64 64 ASN CB C 64 38.610 38.610 39.851 -1.241 18088
735 1 2 . 1 1 64 64 ASN H H 64 7.730 7.730 7.880 -0.150 18088
736 1 2 . 1 1 65 65 GLY N N 65 107.100 107.100 109.377 -2.277 18088
737 1 2 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.297 0.583 18088
738 1 2 . 1 1 65 65 GLY H H 65 7.750 7.750 8.028 -0.278 18088
739 1 2 . 1 1 66 66 ASP N N 66 115.630 115.630 120.357 -4.727 18088
740 1 2 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.624 0.206 18088
741 1 2 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.553 -0.503 18088
742 1 2 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.149 -0.589 18088
743 1 2 . 1 1 66 66 ASP H H 66 8.320 8.320 8.397 -0.077 18088
744 1 2 . 1 1 67 67 GLY N N 67 109.240 109.240 107.589 1.651 18088
745 1 2 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.134 -0.344 18088
746 1 2 . 1 1 67 67 GLY H H 67 8.260 8.260 7.638 0.622 18088
747 1 2 . 1 1 68 68 GLU N N 68 117.540 117.540 117.341 0.199 18088
748 1 2 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.590 0.660 18088
749 1 2 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.407 -0.437 18088
750 1 2 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.431 0.459 18088
751 1 2 . 1 1 68 68 GLU H H 68 8.500 8.500 8.061 0.439 18088
752 1 2 . 1 1 69 69 VAL N N 69 115.550 115.550 119.056 -3.506 18088
753 1 2 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.602 0.358 18088
754 1 2 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.320 -0.250 18088
755 1 2 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.657 -0.648 18088
756 1 2 . 1 1 69 69 VAL H H 69 9.190 9.190 8.572 0.618 18088
757 1 2 . 1 1 70 70 ASP N N 70 121.130 121.130 119.590 1.540 18088
758 1 2 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.036 0.524 18088
759 1 2 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.976 -1.976 18088
760 1 2 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.020 0.650 18088
761 1 2 . 1 1 70 70 ASP H H 70 8.320 8.320 8.189 0.131 18088
762 1 2 . 1 1 71 71 PHE N N 71 119.290 119.290 120.256 -0.966 18088
763 1 2 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.069 -0.599 18088
764 1 2 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.358 -0.898 18088
765 1 2 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.825 0.405 18088
766 1 2 . 1 1 71 71 PHE H H 71 9.480 9.480 8.722 0.758 18088
767 1 2 . 1 1 72 72 GLN N N 72 116.810 116.810 118.657 -1.847 18088
768 1 2 . 1 1 72 72 GLN HA H 72 3.410 3.410 4.009 -0.599 18088
769 1 2 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.572 1.079 18088
770 1 2 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.227 0.503 18088
771 1 2 . 1 1 72 72 GLN H H 72 8.140 8.140 8.731 -0.591 18088
772 1 2 . 1 1 73 73 GLU N N 73 119.590 119.590 118.983 0.607 18088
773 1 2 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.083 -0.123 18088
774 1 2 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.759 0.371 18088
775 1 2 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.285 0.905 18088
776 1 2 . 1 1 73 73 GLU H H 73 8.260 8.260 8.442 -0.182 18088
777 1 2 . 1 1 74 74 TYR N N 74 122.520 122.520 122.135 0.385 18088
778 1 2 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.079 0.251 18088
779 1 2 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.074 -0.954 18088
780 1 2 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.046 -1.336 18088
781 1 2 . 1 1 74 74 TYR H H 74 8.240 8.240 8.203 0.037 18088
782 1 2 . 1 1 75 75 VAL N N 75 120.300 120.300 117.563 2.737 18088
783 1 2 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.007 -0.357 18088
784 1 2 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.896 0.984 18088
785 1 2 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.419 -0.989 18088
786 1 2 . 1 1 75 75 VAL H H 75 7.980 7.980 7.679 0.301 18088
787 1 2 . 1 1 76 76 VAL N N 76 119.180 119.180 120.217 -1.037 18088
788 1 2 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.594 -0.264 18088
789 1 2 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.998 0.652 18088
790 1 2 . 1 1 76 76 VAL CB C 76 31.590 31.590 30.821 0.769 18088
791 1 2 . 1 1 76 76 VAL H H 76 7.560 7.560 8.168 -0.608 18088
792 1 2 . 1 1 77 77 LEU N N 77 121.440 121.440 120.255 1.185 18088
793 1 2 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.117 0.023 18088
794 1 2 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.825 0.355 18088
795 1 2 . 1 1 77 77 LEU CB C 77 41.950 41.950 40.929 1.020 18088
796 1 2 . 1 1 77 77 LEU H H 77 7.740 7.740 7.332 0.408 18088
797 1 2 . 1 1 78 78 VAL N N 78 119.220 119.220 115.932 3.288 18088
798 1 2 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.559 -0.119 18088
799 1 2 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.230 1.900 18088
800 1 2 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.049 1.261 18088
801 1 2 . 1 1 78 78 VAL H H 78 8.320 8.320 7.236 1.084 18088
802 1 2 . 1 1 79 79 ALA N N 79 124.780 124.780 121.700 3.080 18088
803 1 2 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.165 -0.155 18088
804 1 2 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.957 1.903 18088
805 1 2 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.290 -0.330 18088
806 1 2 . 1 1 79 79 ALA H H 79 9.000 9.000 8.233 0.767 18088
807 1 2 . 1 1 80 80 ALA N N 80 121.760 121.760 121.372 0.388 18088
808 1 2 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.024 -0.104 18088
809 1 2 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.498 0.672 18088
810 1 2 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.256 -0.776 18088
811 1 2 . 1 1 80 80 ALA H H 80 8.240 8.240 7.476 0.764 18088
812 1 2 . 1 1 81 81 LEU N N 81 118.310 118.310 117.494 0.816 18088
813 1 2 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.073 -0.423 18088
814 1 2 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.260 0.050 18088
815 1 2 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.043 -1.393 18088
816 1 2 . 1 1 81 81 LEU H H 81 7.920 7.920 7.520 0.400 18088
817 1 2 . 1 1 82 82 THR N N 82 116.240 116.240 116.176 0.064 18088
818 1 2 . 1 1 82 82 THR HA H 82 3.710 3.710 4.036 -0.326 18088
819 1 2 . 1 1 82 82 THR CA C 82 68.770 68.770 66.565 2.205 18088
820 1 2 . 1 1 82 82 THR CB C 82 67.420 67.420 68.659 -1.239 18088
821 1 2 . 1 1 82 82 THR H H 82 8.120 8.120 7.732 0.388 18088
822 1 2 . 1 1 83 83 VAL N N 83 120.000 120.000 113.203 6.797 18088
823 1 2 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.654 -0.624 18088
824 1 2 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.832 3.118 18088
825 1 2 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.190 -0.340 18088
826 1 2 . 1 1 83 83 VAL H H 83 7.780 7.780 7.250 0.530 18088
827 1 2 . 1 1 87 87 ASN N N 87 124.810 124.810 117.454 7.356 18088
828 1 2 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.252 -0.022 18088
829 1 2 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.914 2.116 18088
830 1 2 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.334 -0.064 18088
831 1 2 . 1 1 87 87 ASN H H 87 9.130 9.130 7.683 1.447 18088
832 1 2 . 1 1 88 88 PHE N N 88 120.680 120.680 116.022 4.658 18088
833 1 2 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.153 -0.063 18088
834 1 2 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.575 1.255 18088
835 1 2 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.301 0.009 18088
836 1 2 . 1 1 88 88 PHE H H 88 8.650 8.650 7.545 1.105 18088
837 1 2 . 1 1 89 89 PHE N N 89 112.580 112.580 114.806 -2.226 18088
838 1 2 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.575 -0.775 18088
839 1 2 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.904 1.006 18088
840 1 2 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.228 -2.348 18088
841 1 2 . 1 1 89 89 PHE H H 89 7.410 7.410 7.343 0.067 18088
842 1 2 . 1 1 90 90 TRP N N 90 118.690 118.690 119.860 -1.170 18088
843 1 2 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.561 0.029 18088
844 1 2 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.770 -0.470 18088
845 1 2 . 1 1 90 90 TRP CB C 90 31.180 31.180 29.137 2.043 18088
846 1 2 . 1 1 90 90 TRP H H 90 7.370 7.370 7.512 -0.142 18088
847 1 2 . 1 1 91 91 GLU N N 91 121.380 121.380 119.061 2.319 18088
848 1 2 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.400 -0.060 18088
849 1 2 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.432 0.038 18088
850 1 2 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.018 -0.588 18088
851 1 2 . 1 1 91 91 GLU H H 91 7.820 7.820 7.700 0.120 18088
852 1 2 . 1 1 92 92 ASN N N 92 120.640 120.640 121.608 -0.968 18088
853 1 2 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.664 0.136 18088
854 1 2 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.566 -0.026 18088
855 1 2 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.452 0.528 18088
856 1 2 . 1 1 92 92 ASN H H 92 8.560 8.560 8.495 0.065 18088
857 1 3 . 1 1 2 2 SER N N 2 118.720 118.720 114.960 3.760 18088
858 1 3 . 1 1 2 2 SER HA H 2 4.690 4.690 4.583 0.107 18088
859 1 3 . 1 1 2 2 SER CA C 2 57.270 57.270 57.493 -0.223 18088
860 1 3 . 1 1 2 2 SER CB C 2 65.140 65.140 65.191 -0.051 18088
861 1 3 . 1 1 2 2 SER H H 2 9.270 9.270 8.411 0.859 18088
862 1 3 . 1 1 3 3 GLU N N 3 122.920 122.920 123.693 -0.773 18088
863 1 3 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.151 -0.031 18088
864 1 3 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.315 1.175 18088
865 1 3 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.595 -0.625 18088
866 1 3 . 1 1 3 3 GLU H H 3 9.260 9.260 8.925 0.335 18088
867 1 3 . 1 1 4 4 LEU N N 4 121.140 121.140 116.306 4.834 18088
868 1 3 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.123 -0.083 18088
869 1 3 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.029 0.031 18088
870 1 3 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.270 0.920 18088
871 1 3 . 1 1 4 4 LEU H H 4 8.920 8.920 7.558 1.362 18088
872 1 3 . 1 1 5 5 GLU N N 5 118.710 118.710 120.083 -1.373 18088
873 1 3 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.051 -0.771 18088
874 1 3 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.268 0.402 18088
875 1 3 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.371 -0.221 18088
876 1 3 . 1 1 5 5 GLU H H 5 7.880 7.880 7.585 0.295 18088
877 1 3 . 1 1 6 6 THR N N 6 116.050 116.050 115.584 0.466 18088
878 1 3 . 1 1 6 6 THR HA H 6 4.020 4.020 4.017 0.003 18088
879 1 3 . 1 1 6 6 THR CA C 6 66.580 66.580 65.808 0.772 18088
880 1 3 . 1 1 6 6 THR CB C 6 68.620 68.620 68.407 0.213 18088
881 1 3 . 1 1 6 6 THR H H 6 8.440 8.440 7.556 0.884 18088
882 1 3 . 1 1 7 7 ALA N N 7 125.840 125.840 125.155 0.685 18088
883 1 3 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.051 0.229 18088
884 1 3 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.032 0.568 18088
885 1 3 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.219 -0.149 18088
886 1 3 . 1 1 7 7 ALA H H 7 8.320 8.320 7.734 0.586 18088
887 1 3 . 1 1 8 8 MET N N 8 115.330 115.330 117.370 -2.040 18088
888 1 3 . 1 1 8 8 MET HA H 8 4.860 4.860 4.165 0.695 18088
889 1 3 . 1 1 8 8 MET CA C 8 56.510 56.510 57.471 -0.961 18088
890 1 3 . 1 1 8 8 MET CB C 8 28.930 28.930 30.731 -1.801 18088
891 1 3 . 1 1 8 8 MET H H 8 8.150 8.150 7.691 0.459 18088
892 1 3 . 1 1 9 9 GLU N N 9 120.410 120.410 118.946 1.464 18088
893 1 3 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.063 0.097 18088
894 1 3 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.650 0.300 18088
895 1 3 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.579 -0.759 18088
896 1 3 . 1 1 9 9 GLU H H 9 8.760 8.760 7.734 1.026 18088
897 1 3 . 1 1 10 10 THR N N 10 118.820 118.820 111.434 7.386 18088
898 1 3 . 1 1 10 10 THR HA H 10 4.130 4.130 4.402 -0.272 18088
899 1 3 . 1 1 10 10 THR CA C 10 67.180 67.180 65.052 2.128 18088
900 1 3 . 1 1 10 10 THR CB C 10 67.770 67.770 69.125 -1.355 18088
901 1 3 . 1 1 10 10 THR H H 10 8.510 8.510 8.100 0.410 18088
902 1 3 . 1 1 11 11 LEU N N 11 121.840 121.840 122.728 -0.888 18088
903 1 3 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.302 -0.222 18088
904 1 3 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.207 2.043 18088
905 1 3 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.088 0.812 18088
906 1 3 . 1 1 11 11 LEU H H 11 8.380 8.380 7.625 0.755 18088
907 1 3 . 1 1 12 12 ILE N N 12 121.310 121.310 118.186 3.124 18088
908 1 3 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.893 -0.353 18088
909 1 3 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.498 0.622 18088
910 1 3 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.184 1.156 18088
911 1 3 . 1 1 12 12 ILE H H 12 8.520 8.520 7.801 0.719 18088
912 1 3 . 1 1 13 13 ASN N N 13 120.570 120.570 118.977 1.593 18088
913 1 3 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.482 -0.113 18088
914 1 3 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.029 0.511 18088
915 1 3 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.384 -0.474 18088
916 1 3 . 1 1 13 13 ASN H H 13 8.700 8.700 7.496 1.204 18088
917 1 3 . 1 1 14 14 VAL N N 14 122.040 122.040 119.624 2.416 18088
918 1 3 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.759 0.121 18088
919 1 3 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.378 1.132 18088
920 1 3 . 1 1 14 14 VAL CB C 14 31.820 31.820 30.996 0.824 18088
921 1 3 . 1 1 14 14 VAL H H 14 8.900 8.900 7.611 1.289 18088
922 1 3 . 1 1 15 15 PHE N N 15 120.410 120.410 120.015 0.395 18088
923 1 3 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.872 -0.292 18088
924 1 3 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.128 1.252 18088
925 1 3 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.044 0.386 18088
926 1 3 . 1 1 15 15 PHE H H 15 7.490 7.490 7.575 -0.085 18088
927 1 3 . 1 1 16 16 HIS N N 16 118.200 118.200 117.722 0.478 18088
928 1 3 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.093 1.127 18088
929 1 3 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.471 -3.141 18088
930 1 3 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.345 -0.165 18088
931 1 3 . 1 1 16 16 HIS H H 16 9.280 9.280 8.397 0.883 18088
932 1 3 . 1 1 17 17 ALA N N 17 121.060 121.060 121.946 -0.886 18088
933 1 3 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.925 -0.095 18088
934 1 3 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.001 0.429 18088
935 1 3 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.608 -1.078 18088
936 1 3 . 1 1 17 17 ALA H H 17 8.180 8.180 7.410 0.770 18088
937 1 3 . 1 1 18 18 HIS N N 18 112.580 112.580 115.041 -2.461 18088
938 1 3 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.572 -0.192 18088
939 1 3 . 1 1 18 18 HIS CA C 18 56.430 56.430 55.894 0.536 18088
940 1 3 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.688 0.262 18088
941 1 3 . 1 1 18 18 HIS H H 18 7.410 7.410 7.573 -0.163 18088
942 1 3 . 1 1 19 19 SER HA H 19 4.100 4.100 3.811 0.289 18088
943 1 3 . 1 1 19 19 SER CA C 19 60.250 60.250 59.039 1.211 18088
944 1 3 . 1 1 19 19 SER CB C 19 61.700 61.700 62.471 -0.771 18088
945 1 3 . 1 1 20 20 GLY N N 20 106.830 106.830 113.367 -6.537 18088
946 1 3 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.314 -0.164 18088
947 1 3 . 1 1 20 20 GLY H H 20 8.260 8.260 8.193 0.067 18088
948 1 3 . 1 1 21 21 LYS N N 21 120.310 120.310 122.774 -2.464 18088
949 1 3 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.329 -0.359 18088
950 1 3 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.830 1.670 18088
951 1 3 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.422 0.278 18088
952 1 3 . 1 1 21 21 LYS H H 21 7.670 7.670 8.186 -0.516 18088
953 1 3 . 1 1 22 22 GLU N N 22 117.240 117.240 121.129 -3.889 18088
954 1 3 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.211 0.219 18088
955 1 3 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.932 -2.612 18088
956 1 3 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.024 1.126 18088
957 1 3 . 1 1 22 22 GLU H H 22 7.870 7.870 8.523 -0.653 18088
958 1 3 . 1 1 23 23 GLY N N 23 107.910 107.910 106.202 1.708 18088
959 1 3 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.755 1.105 18088
960 1 3 . 1 1 23 23 GLY H H 23 8.110 8.110 8.571 -0.461 18088
961 1 3 . 1 1 24 24 ASP N N 24 122.900 122.900 121.837 1.063 18088
962 1 3 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.049 -0.499 18088
963 1 3 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.380 0.110 18088
964 1 3 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.526 -0.166 18088
965 1 3 . 1 1 24 24 ASP H H 24 8.180 8.180 8.212 -0.032 18088
966 1 3 . 1 1 25 25 LYS N N 25 124.810 124.810 122.070 2.740 18088
967 1 3 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.113 -0.023 18088
968 1 3 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.284 -0.904 18088
969 1 3 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.256 -0.306 18088
970 1 3 . 1 1 25 25 LYS H H 25 8.440 8.440 8.630 -0.190 18088
971 1 3 . 1 1 26 26 TYR N N 26 117.200 117.200 117.439 -0.239 18088
972 1 3 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.425 0.695 18088
973 1 3 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.082 -2.732 18088
974 1 3 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.145 -0.475 18088
975 1 3 . 1 1 26 26 TYR H H 26 8.490 8.490 8.280 0.210 18088
976 1 3 . 1 1 27 27 LYS N N 27 118.320 118.320 116.368 1.952 18088
977 1 3 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.914 0.566 18088
978 1 3 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.036 -0.276 18088
979 1 3 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.142 1.278 18088
980 1 3 . 1 1 27 27 LYS H H 27 7.870 7.870 7.282 0.588 18088
981 1 3 . 1 1 28 28 LEU N N 28 121.530 121.530 122.656 -1.126 18088
982 1 3 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.718 0.002 18088
983 1 3 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.163 -1.442 18088
984 1 3 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.853 0.527 18088
985 1 3 . 1 1 28 28 LEU H H 28 8.840 8.840 8.110 0.730 18088
986 1 3 . 1 1 29 29 SER N N 29 120.620 120.620 117.971 2.649 18088
987 1 3 . 1 1 29 29 SER HA H 29 5.040 5.040 4.638 0.402 18088
988 1 3 . 1 1 29 29 SER CA C 29 57.850 57.850 58.541 -0.691 18088
989 1 3 . 1 1 29 29 SER CB C 29 64.240 64.240 63.811 0.429 18088
990 1 3 . 1 1 29 29 SER H H 29 8.940 8.940 8.618 0.322 18088
991 1 3 . 1 1 30 30 LYS N N 30 124.390 124.390 123.111 1.279 18088
992 1 3 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.123 -0.263 18088
993 1 3 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.823 1.637 18088
994 1 3 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.562 -0.742 18088
995 1 3 . 1 1 30 30 LYS H H 30 8.810 8.810 8.581 0.229 18088
996 1 3 . 1 1 31 31 LYS N N 31 120.250 120.250 119.656 0.594 18088
997 1 3 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.921 0.249 18088
998 1 3 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.523 -0.233 18088
999 1 3 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.709 0.761 18088
1000 1 3 . 1 1 31 31 LYS H H 31 8.740 8.740 7.617 1.123 18088
1001 1 3 . 1 1 32 32 GLU N N 32 121.570 121.570 119.278 2.292 18088
1002 1 3 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.071 0.009 18088
1003 1 3 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.699 -0.419 18088
1004 1 3 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.888 0.352 18088
1005 1 3 . 1 1 32 32 GLU H H 32 7.790 7.790 8.588 -0.798 18088
1006 1 3 . 1 1 33 33 LEU N N 33 121.720 121.720 121.741 -0.021 18088
1007 1 3 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.018 -0.018 18088
1008 1 3 . 1 1 33 33 LEU CA C 33 57.190 57.190 58.018 -0.828 18088
1009 1 3 . 1 1 33 33 LEU CB C 33 40.480 40.480 41.927 -1.447 18088
1010 1 3 . 1 1 33 33 LEU H H 33 8.890 8.890 8.196 0.694 18088
1011 1 3 . 1 1 34 34 LYS N N 34 120.420 120.420 119.567 0.853 18088
1012 1 3 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.798 -0.178 18088
1013 1 3 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.538 0.303 18088
1014 1 3 . 1 1 34 34 LYS CB C 34 31.750 31.750 31.898 -0.147 18088
1015 1 3 . 1 1 34 34 LYS H H 34 8.420 8.420 8.221 0.199 18088
1016 1 3 . 1 1 35 35 GLU N N 35 117.260 117.260 118.523 -1.263 18088
1017 1 3 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.022 0.048 18088
1018 1 3 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.846 0.404 18088
1019 1 3 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.752 -0.702 18088
1020 1 3 . 1 1 35 35 GLU H H 35 7.220 7.220 7.688 -0.468 18088
1021 1 3 . 1 1 36 36 LEU N N 36 122.740 122.740 120.055 2.685 18088
1022 1 3 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.974 -0.244 18088
1023 1 3 . 1 1 36 36 LEU CA C 36 59.220 59.220 57.660 1.560 18088
1024 1 3 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.650 0.550 18088
1025 1 3 . 1 1 36 36 LEU H H 36 8.330 8.330 7.634 0.696 18088
1026 1 3 . 1 1 37 37 LEU N N 37 120.360 120.360 114.972 5.388 18088
1027 1 3 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.329 -0.649 18088
1028 1 3 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.688 0.582 18088
1029 1 3 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.734 -0.234 18088
1030 1 3 . 1 1 37 37 LEU H H 37 8.790 8.790 8.191 0.599 18088
1031 1 3 . 1 1 38 38 GLN N N 38 113.560 113.560 115.361 -1.801 18088
1032 1 3 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.125 -0.405 18088
1033 1 3 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.027 0.653 18088
1034 1 3 . 1 1 38 38 GLN CB C 38 28.760 28.760 29.333 -0.573 18088
1035 1 3 . 1 1 38 38 GLN H H 38 8.100 8.100 8.483 -0.383 18088
1036 1 3 . 1 1 39 39 THR N N 39 109.810 109.810 113.647 -3.837 18088
1037 1 3 . 1 1 39 39 THR HA H 39 4.280 4.280 4.426 -0.146 18088
1038 1 3 . 1 1 39 39 THR CA C 39 64.510 64.510 64.220 0.290 18088
1039 1 3 . 1 1 39 39 THR CB C 39 69.740 69.740 69.213 0.527 18088
1040 1 3 . 1 1 39 39 THR H H 39 7.690 7.690 7.459 0.231 18088
1041 1 3 . 1 1 40 40 GLU N N 40 118.480 118.480 122.306 -3.826 18088
1042 1 3 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.190 0.540 18088
1043 1 3 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.960 -2.270 18088
1044 1 3 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.326 0.764 18088
1045 1 3 . 1 1 40 40 GLU H H 40 9.000 9.000 8.147 0.853 18088
1046 1 3 . 1 1 41 41 LEU N N 41 120.000 120.000 119.529 0.471 18088
1047 1 3 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.783 0.367 18088
1048 1 3 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.504 -0.264 18088
1049 1 3 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.806 0.444 18088
1050 1 3 . 1 1 41 41 LEU H H 41 7.890 7.890 7.509 0.381 18088
1051 1 3 . 1 1 42 42 SER N N 42 112.560 112.560 117.077 -4.517 18088
1052 1 3 . 1 1 42 42 SER HA H 42 3.840 3.840 4.419 -0.579 18088
1053 1 3 . 1 1 42 42 SER CA C 42 61.610 61.610 60.992 0.618 18088
1054 1 3 . 1 1 42 42 SER CB C 42 62.780 62.780 62.706 0.074 18088
1055 1 3 . 1 1 42 42 SER H H 42 6.890 6.890 8.096 -1.206 18088
1056 1 3 . 1 1 43 43 GLY N N 43 114.540 114.540 109.577 4.963 18088
1057 1 3 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.170 -0.510 18088
1058 1 3 . 1 1 43 43 GLY H H 43 9.310 9.310 8.459 0.851 18088
1059 1 3 . 1 1 44 44 PHE N N 44 125.000 125.000 119.524 5.476 18088
1060 1 3 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.478 0.102 18088
1061 1 3 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.392 -1.782 18088
1062 1 3 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.884 -2.424 18088
1063 1 3 . 1 1 44 44 PHE H H 44 8.400 8.400 7.570 0.830 18088
1064 1 3 . 1 1 45 45 LEU N N 45 116.880 116.880 121.086 -4.206 18088
1065 1 3 . 1 1 45 45 LEU HA H 45 3.510 3.510 3.947 -0.437 18088
1066 1 3 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.370 -0.130 18088
1067 1 3 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.775 -0.255 18088
1068 1 3 . 1 1 45 45 LEU H H 45 8.550 8.550 7.679 0.871 18088
1069 1 3 . 1 1 46 46 ASP N N 46 119.260 119.260 119.925 -0.665 18088
1070 1 3 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.421 0.298 18088
1071 1 3 . 1 1 46 46 ASP CA C 46 55.130 55.130 57.244 -2.114 18088
1072 1 3 . 1 1 46 46 ASP CB C 46 41.460 41.460 41.056 0.404 18088
1073 1 3 . 1 1 46 46 ASP H H 46 7.460 7.460 7.899 -0.439 18088
1074 1 3 . 1 1 47 47 ALA N N 47 124.850 124.850 122.681 2.169 18088
1075 1 3 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.347 0.193 18088
1076 1 3 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.511 -0.821 18088
1077 1 3 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.403 1.387 18088
1078 1 3 . 1 1 47 47 ALA H H 47 7.620 7.620 7.688 -0.068 18088
1079 1 3 . 1 1 48 48 GLN N N 48 116.830 116.830 117.897 -1.067 18088
1080 1 3 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.236 -0.436 18088
1081 1 3 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.483 0.666 18088
1082 1 3 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.316 0.494 18088
1083 1 3 . 1 1 48 48 GLN H H 48 7.740 7.740 8.065 -0.325 18088
1084 1 3 . 1 1 49 49 LYS N N 49 121.570 121.570 122.221 -0.651 18088
1085 1 3 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.524 -0.404 18088
1086 1 3 . 1 1 49 49 LYS CA C 49 55.830 55.830 57.092 -1.262 18088
1087 1 3 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.638 -3.588 18088
1088 1 3 . 1 1 49 49 LYS H H 49 7.790 7.790 8.422 -0.632 18088
1089 1 3 . 1 1 50 50 ASP N N 50 118.910 118.910 123.750 -4.840 18088
1090 1 3 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.710 -0.020 18088
1091 1 3 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.768 -1.938 18088
1092 1 3 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.470 0.480 18088
1093 1 3 . 1 1 50 50 ASP H H 50 7.480 7.480 8.161 -0.681 18088
1094 1 3 . 1 1 51 51 VAL N N 51 122.060 122.060 122.004 0.056 18088
1095 1 3 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.617 0.283 18088
1096 1 3 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.501 -0.771 18088
1097 1 3 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.364 0.586 18088
1098 1 3 . 1 1 51 51 VAL H H 51 7.820 7.820 8.698 -0.878 18088
1099 1 3 . 1 1 52 52 ASP N N 52 120.090 120.090 120.406 -0.316 18088
1100 1 3 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.343 0.037 18088
1101 1 3 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.690 -0.430 18088
1102 1 3 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.061 0.519 18088
1103 1 3 . 1 1 52 52 ASP H H 52 8.190 8.190 8.358 -0.168 18088
1104 1 3 . 1 1 53 53 ALA N N 53 122.110 122.110 122.262 -0.152 18088
1105 1 3 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.255 -0.215 18088
1106 1 3 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.968 -0.368 18088
1107 1 3 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.777 -0.097 18088
1108 1 3 . 1 1 53 53 ALA H H 53 7.620 7.620 8.569 -0.949 18088
1109 1 3 . 1 1 54 54 VAL N N 54 118.070 118.070 119.190 -1.120 18088
1110 1 3 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.543 -0.123 18088
1111 1 3 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.948 -0.608 18088
1112 1 3 . 1 1 54 54 VAL CB C 54 32.010 32.010 30.997 1.014 18088
1113 1 3 . 1 1 54 54 VAL H H 54 7.380 7.380 7.650 -0.270 18088
1114 1 3 . 1 1 55 55 ASP N N 55 119.590 119.590 118.527 1.063 18088
1115 1 3 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.351 -0.041 18088
1116 1 3 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.394 -0.024 18088
1117 1 3 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.926 0.034 18088
1118 1 3 . 1 1 55 55 ASP H H 55 8.500 8.500 8.314 0.186 18088
1119 1 3 . 1 1 56 56 LYS N N 56 118.010 118.010 120.147 -2.137 18088
1120 1 3 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.019 -0.079 18088
1121 1 3 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.373 0.387 18088
1122 1 3 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.617 -0.108 18088
1123 1 3 . 1 1 56 56 LYS H H 56 7.970 7.970 7.454 0.516 18088
1124 1 3 . 1 1 57 57 VAL N N 57 119.390 119.390 120.184 -0.794 18088
1125 1 3 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.608 0.102 18088
1126 1 3 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.074 -0.034 18088
1127 1 3 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.888 0.212 18088
1128 1 3 . 1 1 57 57 VAL H H 57 7.310 7.310 8.308 -0.998 18088
1129 1 3 . 1 1 58 58 MET N N 58 116.040 116.040 116.395 -0.355 18088
1130 1 3 . 1 1 58 58 MET HA H 58 4.120 4.120 4.118 0.002 18088
1131 1 3 . 1 1 58 58 MET CA C 58 57.430 57.430 57.593 -0.163 18088
1132 1 3 . 1 1 58 58 MET CB C 58 31.260 31.260 31.331 -0.071 18088
1133 1 3 . 1 1 58 58 MET H H 58 8.370 8.370 7.906 0.464 18088
1134 1 3 . 1 1 59 59 LYS N N 59 118.900 118.900 118.977 -0.077 18088
1135 1 3 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.074 -0.004 18088
1136 1 3 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.988 0.142 18088
1137 1 3 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.205 0.185 18088
1138 1 3 . 1 1 59 59 LYS H H 59 8.600 8.600 7.810 0.790 18088
1139 1 3 . 1 1 60 60 GLU N N 60 119.880 119.880 119.942 -0.062 18088
1140 1 3 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.044 -0.004 18088
1141 1 3 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.412 0.118 18088
1142 1 3 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.684 -1.134 18088
1143 1 3 . 1 1 60 60 GLU H H 60 7.430 7.430 7.813 -0.383 18088
1144 1 3 . 1 1 61 61 LEU N N 61 116.900 116.900 118.404 -1.504 18088
1145 1 3 . 1 1 61 61 LEU HA H 61 3.940 3.940 3.985 -0.045 18088
1146 1 3 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.837 -0.626 18088
1147 1 3 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.519 -0.989 18088
1148 1 3 . 1 1 61 61 LEU H H 61 7.600 7.600 7.485 0.115 18088
1149 1 3 . 1 1 62 62 ASP N N 62 115.990 115.990 118.378 -2.388 18088
1150 1 3 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.323 0.147 18088
1151 1 3 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.240 -1.120 18088
1152 1 3 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.908 0.622 18088
1153 1 3 . 1 1 62 62 ASP H H 62 7.590 7.590 7.764 -0.174 18088
1154 1 3 . 1 1 63 63 GLU N N 63 118.920 118.920 117.411 1.509 18088
1155 1 3 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.269 -0.159 18088
1156 1 3 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.251 -0.221 18088
1157 1 3 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.740 0.260 18088
1158 1 3 . 1 1 63 63 GLU H H 63 8.120 8.120 7.742 0.378 18088
1159 1 3 . 1 1 64 64 ASN N N 64 117.750 117.750 118.223 -0.473 18088
1160 1 3 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.932 0.238 18088
1161 1 3 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.846 -0.976 18088
1162 1 3 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.381 0.229 18088
1163 1 3 . 1 1 64 64 ASN H H 64 7.730 7.730 7.803 -0.073 18088
1164 1 3 . 1 1 65 65 GLY N N 65 107.100 107.100 109.557 -2.457 18088
1165 1 3 . 1 1 65 65 GLY CA C 65 47.880 47.880 46.994 0.886 18088
1166 1 3 . 1 1 65 65 GLY H H 65 7.750 7.750 7.717 0.033 18088
1167 1 3 . 1 1 66 66 ASP N N 66 115.630 115.630 120.794 -5.164 18088
1168 1 3 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.814 0.016 18088
1169 1 3 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.714 0.336 18088
1170 1 3 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.188 0.372 18088
1171 1 3 . 1 1 66 66 ASP H H 66 8.320 8.320 8.075 0.245 18088
1172 1 3 . 1 1 67 67 GLY N N 67 109.240 109.240 108.854 0.386 18088
1173 1 3 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.716 0.074 18088
1174 1 3 . 1 1 67 67 GLY H H 67 8.260 8.260 7.936 0.324 18088
1175 1 3 . 1 1 68 68 GLU N N 68 117.540 117.540 117.446 0.094 18088
1176 1 3 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.961 0.289 18088
1177 1 3 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.602 -0.631 18088
1178 1 3 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.143 -0.253 18088
1179 1 3 . 1 1 68 68 GLU H H 68 8.500 8.500 8.255 0.245 18088
1180 1 3 . 1 1 69 69 VAL N N 69 115.550 115.550 118.125 -2.575 18088
1181 1 3 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.612 0.348 18088
1182 1 3 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.563 -0.493 18088
1183 1 3 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.159 -0.149 18088
1184 1 3 . 1 1 69 69 VAL H H 69 9.190 9.190 8.722 0.468 18088
1185 1 3 . 1 1 70 70 ASP N N 70 121.130 121.130 119.404 1.726 18088
1186 1 3 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.861 0.699 18088
1187 1 3 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.805 -1.805 18088
1188 1 3 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.011 0.659 18088
1189 1 3 . 1 1 70 70 ASP H H 70 8.320 8.320 8.056 0.264 18088
1190 1 3 . 1 1 71 71 PHE N N 71 119.290 119.290 120.881 -1.591 18088
1191 1 3 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.894 -0.424 18088
1192 1 3 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.578 -1.118 18088
1193 1 3 . 1 1 71 71 PHE CB C 71 40.230 40.230 40.020 0.210 18088
1194 1 3 . 1 1 71 71 PHE H H 71 9.480 9.480 8.742 0.738 18088
1195 1 3 . 1 1 72 72 GLN N N 72 116.810 116.810 118.316 -1.506 18088
1196 1 3 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.846 -0.436 18088
1197 1 3 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.733 0.917 18088
1198 1 3 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.155 0.575 18088
1199 1 3 . 1 1 72 72 GLN H H 72 8.140 8.140 9.005 -0.865 18088
1200 1 3 . 1 1 73 73 GLU N N 73 119.590 119.590 118.046 1.544 18088
1201 1 3 . 1 1 73 73 GLU HA H 73 3.960 3.960 3.971 -0.011 18088
1202 1 3 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.697 0.433 18088
1203 1 3 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.371 0.819 18088
1204 1 3 . 1 1 73 73 GLU H H 73 8.260 8.260 7.959 0.301 18088
1205 1 3 . 1 1 74 74 TYR N N 74 122.520 122.520 122.326 0.194 18088
1206 1 3 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.012 0.318 18088
1207 1 3 . 1 1 74 74 TYR CA C 74 60.120 60.120 60.992 -0.872 18088
1208 1 3 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.107 -1.397 18088
1209 1 3 . 1 1 74 74 TYR H H 74 8.240 8.240 8.357 -0.117 18088
1210 1 3 . 1 1 75 75 VAL N N 75 120.300 120.300 117.697 2.603 18088
1211 1 3 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.124 -0.474 18088
1212 1 3 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.169 0.711 18088
1213 1 3 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.583 -0.153 18088
1214 1 3 . 1 1 75 75 VAL H H 75 7.980 7.980 8.178 -0.198 18088
1215 1 3 . 1 1 76 76 VAL N N 76 119.180 119.180 119.208 -0.028 18088
1216 1 3 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.648 -0.318 18088
1217 1 3 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.922 0.728 18088
1218 1 3 . 1 1 76 76 VAL CB C 76 31.590 31.590 30.820 0.770 18088
1219 1 3 . 1 1 76 76 VAL H H 76 7.560 7.560 8.291 -0.731 18088
1220 1 3 . 1 1 77 77 LEU N N 77 121.440 121.440 120.122 1.318 18088
1221 1 3 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.104 0.036 18088
1222 1 3 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.409 0.771 18088
1223 1 3 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.283 0.666 18088
1224 1 3 . 1 1 77 77 LEU H H 77 7.740 7.740 7.234 0.506 18088
1225 1 3 . 1 1 78 78 VAL N N 78 119.220 119.220 114.742 4.478 18088
1226 1 3 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.454 -0.014 18088
1227 1 3 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.880 1.250 18088
1228 1 3 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.992 0.318 18088
1229 1 3 . 1 1 78 78 VAL H H 78 8.320 8.320 7.233 1.087 18088
1230 1 3 . 1 1 79 79 ALA N N 79 124.780 124.780 121.438 3.342 18088
1231 1 3 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.125 -0.115 18088
1232 1 3 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.776 2.084 18088
1233 1 3 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.523 -0.563 18088
1234 1 3 . 1 1 79 79 ALA H H 79 9.000 9.000 8.096 0.904 18088
1235 1 3 . 1 1 80 80 ALA N N 80 121.760 121.760 121.430 0.330 18088
1236 1 3 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.953 -0.033 18088
1237 1 3 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.591 0.579 18088
1238 1 3 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.187 -0.707 18088
1239 1 3 . 1 1 80 80 ALA H H 80 8.240 8.240 7.453 0.787 18088
1240 1 3 . 1 1 81 81 LEU N N 81 118.310 118.310 117.321 0.989 18088
1241 1 3 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.087 -0.437 18088
1242 1 3 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.409 -0.099 18088
1243 1 3 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.916 -1.266 18088
1244 1 3 . 1 1 81 81 LEU H H 81 7.920 7.920 7.421 0.499 18088
1245 1 3 . 1 1 82 82 THR N N 82 116.240 116.240 115.761 0.479 18088
1246 1 3 . 1 1 82 82 THR HA H 82 3.710 3.710 3.946 -0.236 18088
1247 1 3 . 1 1 82 82 THR CA C 82 68.770 68.770 66.360 2.410 18088
1248 1 3 . 1 1 82 82 THR CB C 82 67.420 67.420 68.644 -1.224 18088
1249 1 3 . 1 1 82 82 THR H H 82 8.120 8.120 7.667 0.453 18088
1250 1 3 . 1 1 83 83 VAL N N 83 120.000 120.000 112.597 7.403 18088
1251 1 3 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.656 -0.626 18088
1252 1 3 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.759 3.191 18088
1253 1 3 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.355 -0.505 18088
1254 1 3 . 1 1 83 83 VAL H H 83 7.780 7.780 7.317 0.463 18088
1255 1 3 . 1 1 87 87 ASN N N 87 124.810 124.810 117.550 7.260 18088
1256 1 3 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.248 -0.018 18088
1257 1 3 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.255 1.775 18088
1258 1 3 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.357 -0.087 18088
1259 1 3 . 1 1 87 87 ASN H H 87 9.130 9.130 7.650 1.480 18088
1260 1 3 . 1 1 88 88 PHE N N 88 120.680 120.680 116.335 4.345 18088
1261 1 3 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.071 0.019 18088
1262 1 3 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.397 1.433 18088
1263 1 3 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.898 0.412 18088
1264 1 3 . 1 1 88 88 PHE H H 88 8.650 8.650 7.355 1.295 18088
1265 1 3 . 1 1 89 89 PHE N N 89 112.580 112.580 114.182 -1.602 18088
1266 1 3 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.764 -0.964 18088
1267 1 3 . 1 1 89 89 PHE CA C 89 58.910 58.910 56.938 1.972 18088
1268 1 3 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.381 -1.501 18088
1269 1 3 . 1 1 89 89 PHE H H 89 7.410 7.410 7.177 0.233 18088
1270 1 3 . 1 1 90 90 TRP N N 90 118.690 118.690 122.420 -3.730 18088
1271 1 3 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.689 -0.099 18088
1272 1 3 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.511 -0.211 18088
1273 1 3 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.578 3.602 18088
1274 1 3 . 1 1 90 90 TRP H H 90 7.370 7.370 8.288 -0.918 18088
1275 1 3 . 1 1 91 91 GLU N N 91 121.380 121.380 120.075 1.305 18088
1276 1 3 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.398 -0.058 18088
1277 1 3 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.635 -0.165 18088
1278 1 3 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.737 -0.307 18088
1279 1 3 . 1 1 91 91 GLU H H 91 7.820 7.820 8.261 -0.441 18088
1280 1 3 . 1 1 92 92 ASN N N 92 120.640 120.640 124.015 -3.375 18088
1281 1 3 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.670 0.130 18088
1282 1 3 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.928 -0.388 18088
1283 1 3 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.085 0.895 18088
1284 1 3 . 1 1 92 92 ASN H H 92 8.560 8.560 8.725 -0.165 18088
1285 1 4 . 1 1 2 2 SER N N 2 118.720 118.720 118.083 0.637 18088
1286 1 4 . 1 1 2 2 SER HA H 2 4.690 4.690 4.386 0.304 18088
1287 1 4 . 1 1 2 2 SER CA C 2 57.270 57.270 58.014 -0.744 18088
1288 1 4 . 1 1 2 2 SER CB C 2 65.140 65.140 64.984 0.156 18088
1289 1 4 . 1 1 2 2 SER H H 2 9.270 9.270 8.780 0.490 18088
1290 1 4 . 1 1 3 3 GLU N N 3 122.920 122.920 121.258 1.662 18088
1291 1 4 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.060 0.060 18088
1292 1 4 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.412 1.078 18088
1293 1 4 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.571 -0.601 18088
1294 1 4 . 1 1 3 3 GLU H H 3 9.260 9.260 8.962 0.298 18088
1295 1 4 . 1 1 4 4 LEU N N 4 121.140 121.140 115.356 5.784 18088
1296 1 4 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.198 -0.158 18088
1297 1 4 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.429 0.631 18088
1298 1 4 . 1 1 4 4 LEU CB C 4 42.190 42.190 40.988 1.202 18088
1299 1 4 . 1 1 4 4 LEU H H 4 8.920 8.920 7.888 1.032 18088
1300 1 4 . 1 1 5 5 GLU N N 5 118.710 118.710 120.439 -1.729 18088
1301 1 4 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.933 -0.653 18088
1302 1 4 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.578 0.092 18088
1303 1 4 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.586 -0.436 18088
1304 1 4 . 1 1 5 5 GLU H H 5 7.880 7.880 7.678 0.202 18088
1305 1 4 . 1 1 6 6 THR N N 6 116.050 116.050 116.129 -0.079 18088
1306 1 4 . 1 1 6 6 THR HA H 6 4.020 4.020 4.022 -0.002 18088
1307 1 4 . 1 1 6 6 THR CA C 6 66.580 66.580 65.871 0.709 18088
1308 1 4 . 1 1 6 6 THR CB C 6 68.620 68.620 68.787 -0.167 18088
1309 1 4 . 1 1 6 6 THR H H 6 8.440 8.440 7.671 0.769 18088
1310 1 4 . 1 1 7 7 ALA N N 7 125.840 125.840 125.006 0.834 18088
1311 1 4 . 1 1 7 7 ALA HA H 7 4.280 4.280 3.994 0.286 18088
1312 1 4 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.114 0.486 18088
1313 1 4 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.278 -0.208 18088
1314 1 4 . 1 1 7 7 ALA H H 7 8.320 8.320 7.552 0.768 18088
1315 1 4 . 1 1 8 8 MET N N 8 115.330 115.330 117.476 -2.146 18088
1316 1 4 . 1 1 8 8 MET HA H 8 4.860 4.860 4.178 0.682 18088
1317 1 4 . 1 1 8 8 MET CA C 8 56.510 56.510 56.926 -0.416 18088
1318 1 4 . 1 1 8 8 MET CB C 8 28.930 28.930 30.530 -1.600 18088
1319 1 4 . 1 1 8 8 MET H H 8 8.150 8.150 7.872 0.279 18088
1320 1 4 . 1 1 9 9 GLU N N 9 120.410 120.410 118.980 1.430 18088
1321 1 4 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.993 0.167 18088
1322 1 4 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.427 0.523 18088
1323 1 4 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.653 -0.833 18088
1324 1 4 . 1 1 9 9 GLU H H 9 8.760 8.760 7.779 0.981 18088
1325 1 4 . 1 1 10 10 THR N N 10 118.820 118.820 112.655 6.165 18088
1326 1 4 . 1 1 10 10 THR HA H 10 4.130 4.130 4.407 -0.277 18088
1327 1 4 . 1 1 10 10 THR CA C 10 67.180 67.180 65.252 1.928 18088
1328 1 4 . 1 1 10 10 THR CB C 10 67.770 67.770 69.135 -1.365 18088
1329 1 4 . 1 1 10 10 THR H H 10 8.510 8.510 8.048 0.462 18088
1330 1 4 . 1 1 11 11 LEU N N 11 121.840 121.840 122.882 -1.042 18088
1331 1 4 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.314 -0.234 18088
1332 1 4 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.172 2.078 18088
1333 1 4 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.169 0.731 18088
1334 1 4 . 1 1 11 11 LEU H H 11 8.380 8.380 7.516 0.864 18088
1335 1 4 . 1 1 12 12 ILE N N 12 121.310 121.310 118.414 2.896 18088
1336 1 4 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.746 -0.206 18088
1337 1 4 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.549 0.571 18088
1338 1 4 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.145 1.195 18088
1339 1 4 . 1 1 12 12 ILE H H 12 8.520 8.520 7.894 0.626 18088
1340 1 4 . 1 1 13 13 ASN N N 13 120.570 120.570 118.186 2.384 18088
1341 1 4 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.415 -0.045 18088
1342 1 4 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.049 0.491 18088
1343 1 4 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.408 -0.499 18088
1344 1 4 . 1 1 13 13 ASN H H 13 8.700 8.700 7.680 1.020 18088
1345 1 4 . 1 1 14 14 VAL N N 14 122.040 122.040 119.361 2.679 18088
1346 1 4 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.754 0.126 18088
1347 1 4 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.948 0.562 18088
1348 1 4 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.146 0.674 18088
1349 1 4 . 1 1 14 14 VAL H H 14 8.900 8.900 7.477 1.423 18088
1350 1 4 . 1 1 15 15 PHE N N 15 120.410 120.410 119.568 0.842 18088
1351 1 4 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.889 -0.309 18088
1352 1 4 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.419 0.961 18088
1353 1 4 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.138 0.292 18088
1354 1 4 . 1 1 15 15 PHE H H 15 7.490 7.490 7.341 0.149 18088
1355 1 4 . 1 1 16 16 HIS N N 16 118.200 118.200 117.359 0.841 18088
1356 1 4 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.476 0.744 18088
1357 1 4 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.147 -2.817 18088
1358 1 4 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.494 -0.314 18088
1359 1 4 . 1 1 16 16 HIS H H 16 9.280 9.280 7.884 1.396 18088
1360 1 4 . 1 1 17 17 ALA N N 17 121.060 121.060 123.937 -2.877 18088
1361 1 4 . 1 1 17 17 ALA HA H 17 3.830 3.830 4.118 -0.288 18088
1362 1 4 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.649 -0.219 18088
1363 1 4 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.605 -1.075 18088
1364 1 4 . 1 1 17 17 ALA H H 17 8.180 8.180 8.335 -0.155 18088
1365 1 4 . 1 1 18 18 HIS N N 18 112.580 112.580 116.061 -3.481 18088
1366 1 4 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.702 -0.322 18088
1367 1 4 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.620 1.810 18088
1368 1 4 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.400 1.550 18088
1369 1 4 . 1 1 18 18 HIS H H 18 7.410 7.410 7.809 -0.399 18088
1370 1 4 . 1 1 19 19 SER HA H 19 4.100 4.100 4.110 -0.010 18088
1371 1 4 . 1 1 19 19 SER CA C 19 60.250 60.250 59.040 1.210 18088
1372 1 4 . 1 1 19 19 SER CB C 19 61.700 61.700 63.503 -1.803 18088
1373 1 4 . 1 1 20 20 GLY N N 20 106.830 106.830 113.222 -6.392 18088
1374 1 4 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.309 -0.159 18088
1375 1 4 . 1 1 20 20 GLY H H 20 8.260 8.260 8.654 -0.394 18088
1376 1 4 . 1 1 21 21 LYS N N 21 120.310 120.310 122.596 -2.286 18088
1377 1 4 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.152 -0.182 18088
1378 1 4 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.665 1.835 18088
1379 1 4 . 1 1 21 21 LYS CB C 21 32.700 32.700 31.551 1.149 18088
1380 1 4 . 1 1 21 21 LYS H H 21 7.670 7.670 8.008 -0.338 18088
1381 1 4 . 1 1 22 22 GLU N N 22 117.240 117.240 126.131 -8.891 18088
1382 1 4 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.064 0.366 18088
1383 1 4 . 1 1 22 22 GLU CA C 22 55.320 55.320 58.922 -3.602 18088
1384 1 4 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.521 1.629 18088
1385 1 4 . 1 1 22 22 GLU H H 22 7.870 7.870 8.385 -0.515 18088
1386 1 4 . 1 1 23 23 GLY N N 23 107.910 107.910 109.368 -1.458 18088
1387 1 4 . 1 1 23 23 GLY CA C 23 45.860 45.860 47.066 -1.206 18088
1388 1 4 . 1 1 23 23 GLY H H 23 8.110 8.110 8.612 -0.502 18088
1389 1 4 . 1 1 24 24 ASP N N 24 122.900 122.900 120.374 2.526 18088
1390 1 4 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.915 -0.365 18088
1391 1 4 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.335 0.155 18088
1392 1 4 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.497 0.863 18088
1393 1 4 . 1 1 24 24 ASP H H 24 8.180 8.180 8.275 -0.095 18088
1394 1 4 . 1 1 25 25 LYS N N 25 124.810 124.810 123.203 1.607 18088
1395 1 4 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.178 -0.088 18088
1396 1 4 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.652 -1.272 18088
1397 1 4 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.651 -0.701 18088
1398 1 4 . 1 1 25 25 LYS H H 25 8.440 8.440 8.733 -0.293 18088
1399 1 4 . 1 1 26 26 TYR N N 26 117.200 117.200 115.110 2.090 18088
1400 1 4 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.420 0.700 18088
1401 1 4 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.605 -2.255 18088
1402 1 4 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.258 -0.588 18088
1403 1 4 . 1 1 26 26 TYR H H 26 8.490 8.490 8.406 0.084 18088
1404 1 4 . 1 1 27 27 LYS N N 27 118.320 118.320 115.987 2.333 18088
1405 1 4 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.843 0.637 18088
1406 1 4 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.977 -0.217 18088
1407 1 4 . 1 1 27 27 LYS CB C 27 37.420 37.420 35.665 1.755 18088
1408 1 4 . 1 1 27 27 LYS H H 27 7.870 7.870 7.831 0.039 18088
1409 1 4 . 1 1 28 28 LEU N N 28 121.530 121.530 120.058 1.472 18088
1410 1 4 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.789 -0.069 18088
1411 1 4 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.694 -0.974 18088
1412 1 4 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.241 0.139 18088
1413 1 4 . 1 1 28 28 LEU H H 28 8.840 8.840 8.303 0.536 18088
1414 1 4 . 1 1 29 29 SER N N 29 120.620 120.620 115.544 5.076 18088
1415 1 4 . 1 1 29 29 SER HA H 29 5.040 5.040 4.587 0.453 18088
1416 1 4 . 1 1 29 29 SER CA C 29 57.850 57.850 58.612 -0.762 18088
1417 1 4 . 1 1 29 29 SER CB C 29 64.240 64.240 63.710 0.530 18088
1418 1 4 . 1 1 29 29 SER H H 29 8.940 8.940 8.442 0.498 18088
1419 1 4 . 1 1 30 30 LYS N N 30 124.390 124.390 122.598 1.792 18088
1420 1 4 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.098 -0.238 18088
1421 1 4 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.152 1.308 18088
1422 1 4 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.740 -0.920 18088
1423 1 4 . 1 1 30 30 LYS H H 30 8.810 8.810 8.754 0.056 18088
1424 1 4 . 1 1 31 31 LYS N N 31 120.250 120.250 119.365 0.885 18088
1425 1 4 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.915 0.255 18088
1426 1 4 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.557 -0.267 18088
1427 1 4 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.719 0.751 18088
1428 1 4 . 1 1 31 31 LYS H H 31 8.740 8.740 7.580 1.160 18088
1429 1 4 . 1 1 32 32 GLU N N 32 121.570 121.570 119.326 2.244 18088
1430 1 4 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.119 -0.039 18088
1431 1 4 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.559 -0.279 18088
1432 1 4 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.146 0.094 18088
1433 1 4 . 1 1 32 32 GLU H H 32 7.790 7.790 8.578 -0.788 18088
1434 1 4 . 1 1 33 33 LEU N N 33 121.720 121.720 121.317 0.403 18088
1435 1 4 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.068 -0.068 18088
1436 1 4 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.229 -0.039 18088
1437 1 4 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.137 -1.657 18088
1438 1 4 . 1 1 33 33 LEU H H 33 8.890 8.890 7.849 1.041 18088
1439 1 4 . 1 1 34 34 LYS N N 34 120.420 120.420 119.388 1.032 18088
1440 1 4 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.801 -0.181 18088
1441 1 4 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.458 0.382 18088
1442 1 4 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.035 -0.285 18088
1443 1 4 . 1 1 34 34 LYS H H 34 8.420 8.420 8.460 -0.040 18088
1444 1 4 . 1 1 35 35 GLU N N 35 117.260 117.260 118.075 -0.815 18088
1445 1 4 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.083 -0.013 18088
1446 1 4 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.710 0.540 18088
1447 1 4 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.811 -0.761 18088
1448 1 4 . 1 1 35 35 GLU H H 35 7.220 7.220 7.569 -0.349 18088
1449 1 4 . 1 1 36 36 LEU N N 36 122.740 122.740 121.231 1.509 18088
1450 1 4 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.843 -0.113 18088
1451 1 4 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.011 1.209 18088
1452 1 4 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.296 0.904 18088
1453 1 4 . 1 1 36 36 LEU H H 36 8.330 8.330 7.399 0.931 18088
1454 1 4 . 1 1 37 37 LEU N N 37 120.360 120.360 114.659 5.701 18088
1455 1 4 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.216 -0.536 18088
1456 1 4 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.785 0.485 18088
1457 1 4 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.269 0.231 18088
1458 1 4 . 1 1 37 37 LEU H H 37 8.790 8.790 7.730 1.060 18088
1459 1 4 . 1 1 38 38 GLN N N 38 113.560 113.560 117.427 -3.867 18088
1460 1 4 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.098 -0.378 18088
1461 1 4 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.169 0.511 18088
1462 1 4 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.688 0.072 18088
1463 1 4 . 1 1 38 38 GLN H H 38 8.100 8.100 7.804 0.296 18088
1464 1 4 . 1 1 39 39 THR N N 39 109.810 109.810 115.756 -5.946 18088
1465 1 4 . 1 1 39 39 THR HA H 39 4.280 4.280 4.218 0.062 18088
1466 1 4 . 1 1 39 39 THR CA C 39 64.510 64.510 65.413 -0.903 18088
1467 1 4 . 1 1 39 39 THR CB C 39 69.740 69.740 69.039 0.701 18088
1468 1 4 . 1 1 39 39 THR H H 39 7.690 7.690 7.807 -0.117 18088
1469 1 4 . 1 1 40 40 GLU N N 40 118.480 118.480 121.111 -2.631 18088
1470 1 4 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.260 0.470 18088
1471 1 4 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.487 -1.797 18088
1472 1 4 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.680 0.410 18088
1473 1 4 . 1 1 40 40 GLU H H 40 9.000 9.000 7.767 1.233 18088
1474 1 4 . 1 1 41 41 LEU N N 41 120.000 120.000 120.514 -0.514 18088
1475 1 4 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.628 0.522 18088
1476 1 4 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.011 -0.771 18088
1477 1 4 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.458 0.792 18088
1478 1 4 . 1 1 41 41 LEU H H 41 7.890 7.890 7.729 0.161 18088
1479 1 4 . 1 1 42 42 SER N N 42 112.560 112.560 116.503 -3.943 18088
1480 1 4 . 1 1 42 42 SER HA H 42 3.840 3.840 4.375 -0.535 18088
1481 1 4 . 1 1 42 42 SER CA C 42 61.610 61.610 60.826 0.784 18088
1482 1 4 . 1 1 42 42 SER CB C 42 62.780 62.780 62.962 -0.183 18088
1483 1 4 . 1 1 42 42 SER H H 42 6.890 6.890 7.605 -0.715 18088
1484 1 4 . 1 1 43 43 GLY N N 43 114.540 114.540 109.665 4.875 18088
1485 1 4 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.199 -0.539 18088
1486 1 4 . 1 1 43 43 GLY H H 43 9.310 9.310 7.941 1.369 18088
1487 1 4 . 1 1 44 44 PHE N N 44 125.000 125.000 118.921 6.079 18088
1488 1 4 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.455 0.125 18088
1489 1 4 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.717 -2.107 18088
1490 1 4 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.873 -2.413 18088
1491 1 4 . 1 1 44 44 PHE H H 44 8.400 8.400 7.524 0.876 18088
1492 1 4 . 1 1 45 45 LEU N N 45 116.880 116.880 120.479 -3.599 18088
1493 1 4 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.034 -0.524 18088
1494 1 4 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.179 0.061 18088
1495 1 4 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.973 -0.453 18088
1496 1 4 . 1 1 45 45 LEU H H 45 8.550 8.550 7.816 0.734 18088
1497 1 4 . 1 1 46 46 ASP N N 46 119.260 119.260 120.513 -1.253 18088
1498 1 4 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.433 0.287 18088
1499 1 4 . 1 1 46 46 ASP CA C 46 55.130 55.130 57.123 -1.993 18088
1500 1 4 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.922 0.538 18088
1501 1 4 . 1 1 46 46 ASP H H 46 7.460 7.460 7.943 -0.483 18088
1502 1 4 . 1 1 47 47 ALA N N 47 124.850 124.850 122.042 2.808 18088
1503 1 4 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.314 0.226 18088
1504 1 4 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.807 -1.117 18088
1505 1 4 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.176 1.614 18088
1506 1 4 . 1 1 47 47 ALA H H 47 7.620 7.620 7.805 -0.185 18088
1507 1 4 . 1 1 48 48 GLN N N 48 116.830 116.830 118.460 -1.630 18088
1508 1 4 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.228 -0.428 18088
1509 1 4 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.562 0.588 18088
1510 1 4 . 1 1 48 48 GLN CB C 48 29.810 29.810 27.831 1.979 18088
1511 1 4 . 1 1 48 48 GLN H H 48 7.740 7.740 7.918 -0.178 18088
1512 1 4 . 1 1 49 49 LYS N N 49 121.570 121.570 125.211 -3.641 18088
1513 1 4 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.524 -0.404 18088
1514 1 4 . 1 1 49 49 LYS CA C 49 55.830 55.830 57.209 -1.379 18088
1515 1 4 . 1 1 49 49 LYS CB C 49 31.050 31.050 33.671 -2.621 18088
1516 1 4 . 1 1 49 49 LYS H H 49 7.790 7.790 8.675 -0.885 18088
1517 1 4 . 1 1 50 50 ASP N N 50 118.910 118.910 122.559 -3.649 18088
1518 1 4 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.697 -0.007 18088
1519 1 4 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.659 -1.829 18088
1520 1 4 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.290 0.660 18088
1521 1 4 . 1 1 50 50 ASP H H 50 7.480 7.480 8.086 -0.606 18088
1522 1 4 . 1 1 51 51 VAL N N 51 122.060 122.060 122.083 -0.023 18088
1523 1 4 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.592 0.308 18088
1524 1 4 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.647 -0.917 18088
1525 1 4 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.407 0.543 18088
1526 1 4 . 1 1 51 51 VAL H H 51 7.820 7.820 8.698 -0.878 18088
1527 1 4 . 1 1 52 52 ASP N N 52 120.090 120.090 120.194 -0.104 18088
1528 1 4 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.308 0.072 18088
1529 1 4 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.525 -0.265 18088
1530 1 4 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.970 0.610 18088
1531 1 4 . 1 1 52 52 ASP H H 52 8.190 8.190 8.428 -0.238 18088
1532 1 4 . 1 1 53 53 ALA N N 53 122.110 122.110 121.657 0.453 18088
1533 1 4 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.289 -0.249 18088
1534 1 4 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.828 -0.228 18088
1535 1 4 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.923 -0.243 18088
1536 1 4 . 1 1 53 53 ALA H H 53 7.620 7.620 8.732 -1.112 18088
1537 1 4 . 1 1 54 54 VAL N N 54 118.070 118.070 117.866 0.204 18088
1538 1 4 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.721 -0.301 18088
1539 1 4 . 1 1 54 54 VAL CA C 54 66.340 66.340 65.927 0.413 18088
1540 1 4 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.961 0.049 18088
1541 1 4 . 1 1 54 54 VAL H H 54 7.380 7.380 7.403 -0.023 18088
1542 1 4 . 1 1 55 55 ASP N N 55 119.590 119.590 120.092 -0.502 18088
1543 1 4 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.554 -0.244 18088
1544 1 4 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.892 0.478 18088
1545 1 4 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.126 -0.166 18088
1546 1 4 . 1 1 55 55 ASP H H 55 8.500 8.500 8.686 -0.186 18088
1547 1 4 . 1 1 56 56 LYS N N 56 118.010 118.010 119.092 -1.082 18088
1548 1 4 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.121 -0.181 18088
1549 1 4 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.034 0.726 18088
1550 1 4 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.363 0.147 18088
1551 1 4 . 1 1 56 56 LYS H H 56 7.970 7.970 7.571 0.399 18088
1552 1 4 . 1 1 57 57 VAL N N 57 119.390 119.390 120.728 -1.338 18088
1553 1 4 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.669 0.041 18088
1554 1 4 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.705 0.335 18088
1555 1 4 . 1 1 57 57 VAL CB C 57 32.100 32.100 32.192 -0.092 18088
1556 1 4 . 1 1 57 57 VAL H H 57 7.310 7.310 7.529 -0.219 18088
1557 1 4 . 1 1 58 58 MET N N 58 116.040 116.040 116.464 -0.424 18088
1558 1 4 . 1 1 58 58 MET HA H 58 4.120 4.120 4.129 -0.009 18088
1559 1 4 . 1 1 58 58 MET CA C 58 57.430 57.430 57.629 -0.199 18088
1560 1 4 . 1 1 58 58 MET CB C 58 31.260 31.260 31.501 -0.241 18088
1561 1 4 . 1 1 58 58 MET H H 58 8.370 8.370 7.550 0.820 18088
1562 1 4 . 1 1 59 59 LYS N N 59 118.900 118.900 118.497 0.403 18088
1563 1 4 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.121 -0.051 18088
1564 1 4 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.410 0.720 18088
1565 1 4 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.109 0.280 18088
1566 1 4 . 1 1 59 59 LYS H H 59 8.600 8.600 7.611 0.989 18088
1567 1 4 . 1 1 60 60 GLU N N 60 119.880 119.880 120.218 -0.338 18088
1568 1 4 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.100 -0.060 18088
1569 1 4 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.112 0.418 18088
1570 1 4 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.497 -0.947 18088
1571 1 4 . 1 1 60 60 GLU H H 60 7.430 7.430 7.714 -0.284 18088
1572 1 4 . 1 1 61 61 LEU N N 61 116.900 116.900 118.060 -1.160 18088
1573 1 4 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.078 -0.138 18088
1574 1 4 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.768 -0.558 18088
1575 1 4 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.102 -0.572 18088
1576 1 4 . 1 1 61 61 LEU H H 61 7.600 7.600 7.538 0.062 18088
1577 1 4 . 1 1 62 62 ASP N N 62 115.990 115.990 120.533 -4.543 18088
1578 1 4 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.357 0.113 18088
1579 1 4 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.273 -1.153 18088
1580 1 4 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.664 0.866 18088
1581 1 4 . 1 1 62 62 ASP H H 62 7.590 7.590 7.836 -0.246 18088
1582 1 4 . 1 1 63 63 GLU N N 63 118.920 118.920 115.912 3.008 18088
1583 1 4 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.326 -0.216 18088
1584 1 4 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.699 0.331 18088
1585 1 4 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.547 0.453 18088
1586 1 4 . 1 1 63 63 GLU H H 63 8.120 8.120 7.844 0.276 18088
1587 1 4 . 1 1 64 64 ASN N N 64 117.750 117.750 117.615 0.135 18088
1588 1 4 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.979 0.191 18088
1589 1 4 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.986 -1.116 18088
1590 1 4 . 1 1 64 64 ASN CB C 64 38.610 38.610 39.934 -1.324 18088
1591 1 4 . 1 1 64 64 ASN H H 64 7.730 7.730 8.017 -0.287 18088
1592 1 4 . 1 1 65 65 GLY N N 65 107.100 107.100 110.136 -3.036 18088
1593 1 4 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.351 0.529 18088
1594 1 4 . 1 1 65 65 GLY H H 65 7.750 7.750 7.626 0.124 18088
1595 1 4 . 1 1 66 66 ASP N N 66 115.630 115.630 119.453 -3.823 18088
1596 1 4 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.679 0.151 18088
1597 1 4 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.520 -0.470 18088
1598 1 4 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.740 -0.180 18088
1599 1 4 . 1 1 66 66 ASP H H 66 8.320 8.320 8.361 -0.041 18088
1600 1 4 . 1 1 67 67 GLY N N 67 109.240 109.240 108.134 1.106 18088
1601 1 4 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.965 -0.174 18088
1602 1 4 . 1 1 67 67 GLY H H 67 8.260 8.260 7.816 0.444 18088
1603 1 4 . 1 1 68 68 GLU N N 68 117.540 117.540 118.351 -0.811 18088
1604 1 4 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.684 0.566 18088
1605 1 4 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.431 -0.461 18088
1606 1 4 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.332 0.558 18088
1607 1 4 . 1 1 68 68 GLU H H 68 8.500 8.500 8.272 0.228 18088
1608 1 4 . 1 1 69 69 VAL N N 69 115.550 115.550 119.479 -3.929 18088
1609 1 4 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.778 0.182 18088
1610 1 4 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.722 -0.652 18088
1611 1 4 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.431 -0.421 18088
1612 1 4 . 1 1 69 69 VAL H H 69 9.190 9.190 8.983 0.207 18088
1613 1 4 . 1 1 70 70 ASP N N 70 121.130 121.130 120.447 0.683 18088
1614 1 4 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.972 0.588 18088
1615 1 4 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.977 -1.977 18088
1616 1 4 . 1 1 70 70 ASP CB C 70 42.670 42.670 41.932 0.738 18088
1617 1 4 . 1 1 70 70 ASP H H 70 8.320 8.320 8.281 0.039 18088
1618 1 4 . 1 1 71 71 PHE N N 71 119.290 119.290 120.191 -0.901 18088
1619 1 4 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.293 -0.823 18088
1620 1 4 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.265 -0.805 18088
1621 1 4 . 1 1 71 71 PHE CB C 71 40.230 40.230 40.094 0.135 18088
1622 1 4 . 1 1 71 71 PHE H H 71 9.480 9.480 8.614 0.866 18088
1623 1 4 . 1 1 72 72 GLN N N 72 116.810 116.810 118.706 -1.896 18088
1624 1 4 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.934 -0.524 18088
1625 1 4 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.764 0.886 18088
1626 1 4 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.133 0.597 18088
1627 1 4 . 1 1 72 72 GLN H H 72 8.140 8.140 8.663 -0.523 18088
1628 1 4 . 1 1 73 73 GLU N N 73 119.590 119.590 119.195 0.395 18088
1629 1 4 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.053 -0.093 18088
1630 1 4 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.673 0.457 18088
1631 1 4 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.352 0.838 18088
1632 1 4 . 1 1 73 73 GLU H H 73 8.260 8.260 8.503 -0.243 18088
1633 1 4 . 1 1 74 74 TYR N N 74 122.520 122.520 121.660 0.860 18088
1634 1 4 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.119 0.211 18088
1635 1 4 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.011 -0.891 18088
1636 1 4 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.342 -1.632 18088
1637 1 4 . 1 1 74 74 TYR H H 74 8.240 8.240 8.178 0.062 18088
1638 1 4 . 1 1 75 75 VAL N N 75 120.300 120.300 117.642 2.658 18088
1639 1 4 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.163 -0.513 18088
1640 1 4 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.265 0.615 18088
1641 1 4 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.707 -0.277 18088
1642 1 4 . 1 1 75 75 VAL H H 75 7.980 7.980 8.094 -0.114 18088
1643 1 4 . 1 1 76 76 VAL N N 76 119.180 119.180 119.312 -0.132 18088
1644 1 4 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.646 -0.316 18088
1645 1 4 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.330 0.320 18088
1646 1 4 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.082 0.508 18088
1647 1 4 . 1 1 76 76 VAL H H 76 7.560 7.560 8.308 -0.748 18088
1648 1 4 . 1 1 77 77 LEU N N 77 121.440 121.440 119.266 2.174 18088
1649 1 4 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.026 0.114 18088
1650 1 4 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.258 0.922 18088
1651 1 4 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.034 0.916 18088
1652 1 4 . 1 1 77 77 LEU H H 77 7.740 7.740 7.111 0.629 18088
1653 1 4 . 1 1 78 78 VAL N N 78 119.220 119.220 116.188 3.032 18088
1654 1 4 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.442 -0.002 18088
1655 1 4 . 1 1 78 78 VAL CA C 78 67.130 67.130 64.992 2.138 18088
1656 1 4 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.195 1.115 18088
1657 1 4 . 1 1 78 78 VAL H H 78 8.320 8.320 7.107 1.213 18088
1658 1 4 . 1 1 79 79 ALA N N 79 124.780 124.780 120.924 3.856 18088
1659 1 4 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.058 -0.048 18088
1660 1 4 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.954 1.906 18088
1661 1 4 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.237 -0.277 18088
1662 1 4 . 1 1 79 79 ALA H H 79 9.000 9.000 7.975 1.025 18088
1663 1 4 . 1 1 80 80 ALA N N 80 121.760 121.760 121.387 0.373 18088
1664 1 4 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.002 -0.082 18088
1665 1 4 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.468 0.702 18088
1666 1 4 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.289 -0.809 18088
1667 1 4 . 1 1 80 80 ALA H H 80 8.240 8.240 7.414 0.826 18088
1668 1 4 . 1 1 81 81 LEU N N 81 118.310 118.310 117.751 0.559 18088
1669 1 4 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.087 -0.437 18088
1670 1 4 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.240 0.070 18088
1671 1 4 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.033 -1.383 18088
1672 1 4 . 1 1 81 81 LEU H H 81 7.920 7.920 7.485 0.435 18088
1673 1 4 . 1 1 82 82 THR N N 82 116.240 116.240 116.084 0.156 18088
1674 1 4 . 1 1 82 82 THR HA H 82 3.710 3.710 3.977 -0.267 18088
1675 1 4 . 1 1 82 82 THR CA C 82 68.770 68.770 66.745 2.025 18088
1676 1 4 . 1 1 82 82 THR CB C 82 67.420 67.420 68.630 -1.210 18088
1677 1 4 . 1 1 82 82 THR H H 82 8.120 8.120 7.507 0.613 18088
1678 1 4 . 1 1 83 83 VAL N N 83 120.000 120.000 112.229 7.771 18088
1679 1 4 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.600 -0.570 18088
1680 1 4 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.395 3.555 18088
1681 1 4 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.355 -0.505 18088
1682 1 4 . 1 1 83 83 VAL H H 83 7.780 7.780 7.196 0.584 18088
1683 1 4 . 1 1 87 87 ASN N N 87 124.810 124.810 117.469 7.341 18088
1684 1 4 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.244 -0.014 18088
1685 1 4 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.845 2.185 18088
1686 1 4 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.208 0.062 18088
1687 1 4 . 1 1 87 87 ASN H H 87 9.130 9.130 7.616 1.514 18088
1688 1 4 . 1 1 88 88 PHE N N 88 120.680 120.680 117.694 2.986 18088
1689 1 4 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.131 -0.041 18088
1690 1 4 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.441 1.389 18088
1691 1 4 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.221 0.089 18088
1692 1 4 . 1 1 88 88 PHE H H 88 8.650 8.650 7.576 1.074 18088
1693 1 4 . 1 1 89 89 PHE N N 89 112.580 112.580 114.916 -2.336 18088
1694 1 4 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.640 -0.840 18088
1695 1 4 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.783 1.127 18088
1696 1 4 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.985 -2.105 18088
1697 1 4 . 1 1 89 89 PHE H H 89 7.410 7.410 7.597 -0.187 18088
1698 1 4 . 1 1 90 90 TRP N N 90 118.690 118.690 122.450 -3.760 18088
1699 1 4 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.680 -0.090 18088
1700 1 4 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.441 -0.141 18088
1701 1 4 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.555 3.626 18088
1702 1 4 . 1 1 90 90 TRP H H 90 7.370 7.370 8.238 -0.868 18088
1703 1 4 . 1 1 91 91 GLU N N 91 121.380 121.380 120.074 1.306 18088
1704 1 4 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.383 -0.043 18088
1705 1 4 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.685 -0.215 18088
1706 1 4 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.444 -0.014 18088
1707 1 4 . 1 1 91 91 GLU H H 91 7.820 7.820 8.219 -0.399 18088
1708 1 4 . 1 1 92 92 ASN N N 92 120.640 120.640 123.287 -2.647 18088
1709 1 4 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.743 0.057 18088
1710 1 4 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.580 -0.040 18088
1711 1 4 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.227 0.753 18088
1712 1 4 . 1 1 92 92 ASN H H 92 8.560 8.560 8.625 -0.065 18088
1713 1 5 . 1 1 2 2 SER N N 2 118.720 118.720 115.504 3.216 18088
1714 1 5 . 1 1 2 2 SER HA H 2 4.690 4.690 4.457 0.233 18088
1715 1 5 . 1 1 2 2 SER CA C 2 57.270 57.270 58.586 -1.316 18088
1716 1 5 . 1 1 2 2 SER CB C 2 65.140 65.140 64.480 0.660 18088
1717 1 5 . 1 1 2 2 SER H H 2 9.270 9.270 9.042 0.228 18088
1718 1 5 . 1 1 3 3 GLU N N 3 122.920 122.920 122.191 0.729 18088
1719 1 5 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.071 0.049 18088
1720 1 5 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.627 0.863 18088
1721 1 5 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.471 -0.501 18088
1722 1 5 . 1 1 3 3 GLU H H 3 9.260 9.260 8.935 0.325 18088
1723 1 5 . 1 1 4 4 LEU N N 4 121.140 121.140 115.364 5.776 18088
1724 1 5 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.192 -0.152 18088
1725 1 5 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.734 0.326 18088
1726 1 5 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.071 1.119 18088
1727 1 5 . 1 1 4 4 LEU H H 4 8.920 8.920 7.883 1.037 18088
1728 1 5 . 1 1 5 5 GLU N N 5 118.710 118.710 120.158 -1.448 18088
1729 1 5 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.988 -0.708 18088
1730 1 5 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.654 0.016 18088
1731 1 5 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.261 -0.111 18088
1732 1 5 . 1 1 5 5 GLU H H 5 7.880 7.880 7.683 0.197 18088
1733 1 5 . 1 1 6 6 THR N N 6 116.050 116.050 116.061 -0.011 18088
1734 1 5 . 1 1 6 6 THR HA H 6 4.020 4.020 4.077 -0.057 18088
1735 1 5 . 1 1 6 6 THR CA C 6 66.580 66.580 65.921 0.659 18088
1736 1 5 . 1 1 6 6 THR CB C 6 68.620 68.620 68.854 -0.234 18088
1737 1 5 . 1 1 6 6 THR H H 6 8.440 8.440 7.713 0.727 18088
1738 1 5 . 1 1 7 7 ALA N N 7 125.840 125.840 125.484 0.356 18088
1739 1 5 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.046 0.234 18088
1740 1 5 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.157 0.443 18088
1741 1 5 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.389 -0.319 18088
1742 1 5 . 1 1 7 7 ALA H H 7 8.320 8.320 7.496 0.824 18088
1743 1 5 . 1 1 8 8 MET N N 8 115.330 115.330 116.707 -1.377 18088
1744 1 5 . 1 1 8 8 MET HA H 8 4.860 4.860 4.189 0.671 18088
1745 1 5 . 1 1 8 8 MET CA C 8 56.510 56.510 57.112 -0.602 18088
1746 1 5 . 1 1 8 8 MET CB C 8 28.930 28.930 30.759 -1.829 18088
1747 1 5 . 1 1 8 8 MET H H 8 8.150 8.150 7.726 0.424 18088
1748 1 5 . 1 1 9 9 GLU N N 9 120.410 120.410 119.314 1.096 18088
1749 1 5 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.037 0.123 18088
1750 1 5 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.495 0.455 18088
1751 1 5 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.664 -0.844 18088
1752 1 5 . 1 1 9 9 GLU H H 9 8.760 8.760 7.794 0.966 18088
1753 1 5 . 1 1 10 10 THR N N 10 118.820 118.820 112.880 5.940 18088
1754 1 5 . 1 1 10 10 THR HA H 10 4.130 4.130 4.147 -0.017 18088
1755 1 5 . 1 1 10 10 THR CA C 10 67.180 67.180 65.008 2.172 18088
1756 1 5 . 1 1 10 10 THR CB C 10 67.770 67.770 68.948 -1.178 18088
1757 1 5 . 1 1 10 10 THR H H 10 8.510 8.510 7.905 0.605 18088
1758 1 5 . 1 1 11 11 LEU N N 11 121.840 121.840 122.671 -0.831 18088
1759 1 5 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.279 -0.199 18088
1760 1 5 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.970 2.280 18088
1761 1 5 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.131 0.769 18088
1762 1 5 . 1 1 11 11 LEU H H 11 8.380 8.380 7.540 0.840 18088
1763 1 5 . 1 1 12 12 ILE N N 12 121.310 121.310 118.693 2.617 18088
1764 1 5 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.688 -0.148 18088
1765 1 5 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.575 0.545 18088
1766 1 5 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.195 1.145 18088
1767 1 5 . 1 1 12 12 ILE H H 12 8.520 8.520 7.776 0.744 18088
1768 1 5 . 1 1 13 13 ASN N N 13 120.570 120.570 117.883 2.687 18088
1769 1 5 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.424 -0.054 18088
1770 1 5 . 1 1 13 13 ASN CA C 13 56.540 56.540 55.921 0.619 18088
1771 1 5 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.470 -0.560 18088
1772 1 5 . 1 1 13 13 ASN H H 13 8.700 8.700 7.701 0.999 18088
1773 1 5 . 1 1 14 14 VAL N N 14 122.040 122.040 119.439 2.601 18088
1774 1 5 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.772 0.108 18088
1775 1 5 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.620 0.890 18088
1776 1 5 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.193 0.627 18088
1777 1 5 . 1 1 14 14 VAL H H 14 8.900 8.900 7.860 1.040 18088
1778 1 5 . 1 1 15 15 PHE N N 15 120.410 120.410 119.860 0.550 18088
1779 1 5 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.904 -0.324 18088
1780 1 5 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.593 0.787 18088
1781 1 5 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.236 0.194 18088
1782 1 5 . 1 1 15 15 PHE H H 15 7.490 7.490 7.397 0.093 18088
1783 1 5 . 1 1 16 16 HIS N N 16 118.200 118.200 117.772 0.428 18088
1784 1 5 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.397 0.823 18088
1785 1 5 . 1 1 16 16 HIS CA C 16 55.330 55.330 56.822 -1.492 18088
1786 1 5 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.750 -0.570 18088
1787 1 5 . 1 1 16 16 HIS H H 16 9.280 9.280 7.681 1.599 18088
1788 1 5 . 1 1 17 17 ALA N N 17 121.060 121.060 121.774 -0.714 18088
1789 1 5 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.848 -0.018 18088
1790 1 5 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.058 0.372 18088
1791 1 5 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.755 -1.225 18088
1792 1 5 . 1 1 17 17 ALA H H 17 8.180 8.180 8.416 -0.236 18088
1793 1 5 . 1 1 18 18 HIS N N 18 112.580 112.580 113.460 -0.880 18088
1794 1 5 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.587 -0.207 18088
1795 1 5 . 1 1 18 18 HIS CA C 18 56.430 56.430 56.170 0.259 18088
1796 1 5 . 1 1 18 18 HIS CB C 18 30.950 30.950 33.083 -2.133 18088
1797 1 5 . 1 1 18 18 HIS H H 18 7.410 7.410 7.776 -0.366 18088
1798 1 5 . 1 1 19 19 SER HA H 19 4.100 4.100 4.192 -0.092 18088
1799 1 5 . 1 1 19 19 SER CA C 19 60.250 60.250 59.005 1.245 18088
1800 1 5 . 1 1 19 19 SER CB C 19 61.700 61.700 63.103 -1.403 18088
1801 1 5 . 1 1 20 20 GLY N N 20 106.830 106.830 108.627 -1.797 18088
1802 1 5 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.641 -0.491 18088
1803 1 5 . 1 1 20 20 GLY H H 20 8.260 8.260 8.586 -0.326 18088
1804 1 5 . 1 1 21 21 LYS N N 21 120.310 120.310 123.448 -3.138 18088
1805 1 5 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.352 -0.382 18088
1806 1 5 . 1 1 21 21 LYS CA C 21 58.500 58.500 55.567 2.933 18088
1807 1 5 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.372 0.328 18088
1808 1 5 . 1 1 21 21 LYS H H 21 7.670 7.670 8.292 -0.622 18088
1809 1 5 . 1 1 22 22 GLU N N 22 117.240 117.240 124.997 -7.757 18088
1810 1 5 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.095 0.335 18088
1811 1 5 . 1 1 22 22 GLU CA C 22 55.320 55.320 58.021 -2.701 18088
1812 1 5 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.569 1.581 18088
1813 1 5 . 1 1 22 22 GLU H H 22 7.870 7.870 8.864 -0.994 18088
1814 1 5 . 1 1 23 23 GLY N N 23 107.910 107.910 108.782 -0.872 18088
1815 1 5 . 1 1 23 23 GLY CA C 23 45.860 45.860 46.518 -0.658 18088
1816 1 5 . 1 1 23 23 GLY H H 23 8.110 8.110 8.097 0.013 18088
1817 1 5 . 1 1 24 24 ASP N N 24 122.900 122.900 121.521 1.379 18088
1818 1 5 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.893 -0.343 18088
1819 1 5 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.329 0.161 18088
1820 1 5 . 1 1 24 24 ASP CB C 24 42.360 42.360 40.536 1.824 18088
1821 1 5 . 1 1 24 24 ASP H H 24 8.180 8.180 8.359 -0.179 18088
1822 1 5 . 1 1 25 25 LYS N N 25 124.810 124.810 123.819 0.991 18088
1823 1 5 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.125 -0.035 18088
1824 1 5 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.873 -1.493 18088
1825 1 5 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.647 -0.697 18088
1826 1 5 . 1 1 25 25 LYS H H 25 8.440 8.440 8.583 -0.143 18088
1827 1 5 . 1 1 26 26 TYR N N 26 117.200 117.200 114.579 2.621 18088
1828 1 5 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.392 0.728 18088
1829 1 5 . 1 1 26 26 TYR CA C 26 57.350 57.350 58.962 -1.612 18088
1830 1 5 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.218 -0.548 18088
1831 1 5 . 1 1 26 26 TYR H H 26 8.490 8.490 8.186 0.304 18088
1832 1 5 . 1 1 27 27 LYS N N 27 118.320 118.320 116.338 1.982 18088
1833 1 5 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.979 0.501 18088
1834 1 5 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.866 -0.106 18088
1835 1 5 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.775 0.645 18088
1836 1 5 . 1 1 27 27 LYS H H 27 7.870 7.870 7.843 0.026 18088
1837 1 5 . 1 1 28 28 LEU N N 28 121.530 121.530 119.770 1.760 18088
1838 1 5 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.744 -0.024 18088
1839 1 5 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.088 -1.368 18088
1840 1 5 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.822 0.559 18088
1841 1 5 . 1 1 28 28 LEU H H 28 8.840 8.840 8.238 0.602 18088
1842 1 5 . 1 1 29 29 SER N N 29 120.620 120.620 117.423 3.197 18088
1843 1 5 . 1 1 29 29 SER HA H 29 5.040 5.040 4.524 0.516 18088
1844 1 5 . 1 1 29 29 SER CA C 29 57.850 57.850 58.709 -0.859 18088
1845 1 5 . 1 1 29 29 SER CB C 29 64.240 64.240 63.644 0.596 18088
1846 1 5 . 1 1 29 29 SER H H 29 8.940 8.940 8.515 0.425 18088
1847 1 5 . 1 1 30 30 LYS N N 30 124.390 124.390 122.978 1.412 18088
1848 1 5 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.051 -0.191 18088
1849 1 5 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.130 1.330 18088
1850 1 5 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.752 -0.932 18088
1851 1 5 . 1 1 30 30 LYS H H 30 8.810 8.810 8.581 0.229 18088
1852 1 5 . 1 1 31 31 LYS N N 31 120.250 120.250 119.484 0.766 18088
1853 1 5 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.974 0.196 18088
1854 1 5 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.547 -0.257 18088
1855 1 5 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.860 0.610 18088
1856 1 5 . 1 1 31 31 LYS H H 31 8.740 8.740 7.693 1.047 18088
1857 1 5 . 1 1 32 32 GLU N N 32 121.570 121.570 118.996 2.574 18088
1858 1 5 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.076 0.004 18088
1859 1 5 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.806 -0.526 18088
1860 1 5 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.919 0.321 18088
1861 1 5 . 1 1 32 32 GLU H H 32 7.790 7.790 8.699 -0.909 18088
1862 1 5 . 1 1 33 33 LEU N N 33 121.720 121.720 121.184 0.536 18088
1863 1 5 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.062 -0.062 18088
1864 1 5 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.285 -0.095 18088
1865 1 5 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.037 -1.557 18088
1866 1 5 . 1 1 33 33 LEU H H 33 8.890 8.890 7.205 1.685 18088
1867 1 5 . 1 1 34 34 LYS N N 34 120.420 120.420 119.341 1.079 18088
1868 1 5 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.810 -0.190 18088
1869 1 5 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.444 0.396 18088
1870 1 5 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.140 -0.390 18088
1871 1 5 . 1 1 34 34 LYS H H 34 8.420 8.420 8.169 0.251 18088
1872 1 5 . 1 1 35 35 GLU N N 35 117.260 117.260 117.459 -0.199 18088
1873 1 5 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.114 -0.044 18088
1874 1 5 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.026 1.224 18088
1875 1 5 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.857 -0.807 18088
1876 1 5 . 1 1 35 35 GLU H H 35 7.220 7.220 7.599 -0.379 18088
1877 1 5 . 1 1 36 36 LEU N N 36 122.740 122.740 121.220 1.520 18088
1878 1 5 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.947 -0.217 18088
1879 1 5 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.078 1.142 18088
1880 1 5 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.514 0.686 18088
1881 1 5 . 1 1 36 36 LEU H H 36 8.330 8.330 7.842 0.488 18088
1882 1 5 . 1 1 37 37 LEU N N 37 120.360 120.360 115.173 5.187 18088
1883 1 5 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.216 -0.536 18088
1884 1 5 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.907 0.363 18088
1885 1 5 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.168 0.332 18088
1886 1 5 . 1 1 37 37 LEU H H 37 8.790 8.790 7.742 1.048 18088
1887 1 5 . 1 1 38 38 GLN N N 38 113.560 113.560 117.631 -4.071 18088
1888 1 5 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.074 -0.354 18088
1889 1 5 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.325 0.355 18088
1890 1 5 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.486 0.274 18088
1891 1 5 . 1 1 38 38 GLN H H 38 8.100 8.100 7.809 0.291 18088
1892 1 5 . 1 1 39 39 THR N N 39 109.810 109.810 115.717 -5.907 18088
1893 1 5 . 1 1 39 39 THR HA H 39 4.280 4.280 4.225 0.055 18088
1894 1 5 . 1 1 39 39 THR CA C 39 64.510 64.510 65.401 -0.891 18088
1895 1 5 . 1 1 39 39 THR CB C 39 69.740 69.740 69.060 0.680 18088
1896 1 5 . 1 1 39 39 THR H H 39 7.690 7.690 7.689 0.001 18088
1897 1 5 . 1 1 40 40 GLU N N 40 118.480 118.480 121.403 -2.923 18088
1898 1 5 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.230 0.500 18088
1899 1 5 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.601 -1.911 18088
1900 1 5 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.865 0.225 18088
1901 1 5 . 1 1 40 40 GLU H H 40 9.000 9.000 7.719 1.281 18088
1902 1 5 . 1 1 41 41 LEU N N 41 120.000 120.000 120.301 -0.301 18088
1903 1 5 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.578 0.572 18088
1904 1 5 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.199 -0.959 18088
1905 1 5 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.714 0.536 18088
1906 1 5 . 1 1 41 41 LEU H H 41 7.890 7.890 7.934 -0.044 18088
1907 1 5 . 1 1 42 42 SER N N 42 112.560 112.560 116.554 -3.994 18088
1908 1 5 . 1 1 42 42 SER HA H 42 3.840 3.840 4.330 -0.490 18088
1909 1 5 . 1 1 42 42 SER CA C 42 61.610 61.610 60.876 0.734 18088
1910 1 5 . 1 1 42 42 SER CB C 42 62.780 62.780 62.770 0.010 18088
1911 1 5 . 1 1 42 42 SER H H 42 6.890 6.890 7.670 -0.780 18088
1912 1 5 . 1 1 43 43 GLY N N 43 114.540 114.540 108.949 5.591 18088
1913 1 5 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.302 -0.642 18088
1914 1 5 . 1 1 43 43 GLY H H 43 9.310 9.310 7.907 1.403 18088
1915 1 5 . 1 1 44 44 PHE N N 44 125.000 125.000 119.095 5.905 18088
1916 1 5 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.496 0.084 18088
1917 1 5 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.565 -1.955 18088
1918 1 5 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.846 -2.386 18088
1919 1 5 . 1 1 44 44 PHE H H 44 8.400 8.400 7.539 0.861 18088
1920 1 5 . 1 1 45 45 LEU N N 45 116.880 116.880 120.194 -3.314 18088
1921 1 5 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.036 -0.526 18088
1922 1 5 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.463 -0.223 18088
1923 1 5 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.783 -0.263 18088
1924 1 5 . 1 1 45 45 LEU H H 45 8.550 8.550 7.715 0.835 18088
1925 1 5 . 1 1 46 46 ASP N N 46 119.260 119.260 120.403 -1.143 18088
1926 1 5 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.453 0.267 18088
1927 1 5 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.661 -1.531 18088
1928 1 5 . 1 1 46 46 ASP CB C 46 41.460 41.460 41.098 0.362 18088
1929 1 5 . 1 1 46 46 ASP H H 46 7.460 7.460 7.800 -0.340 18088
1930 1 5 . 1 1 47 47 ALA N N 47 124.850 124.850 120.671 4.179 18088
1931 1 5 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.308 0.232 18088
1932 1 5 . 1 1 47 47 ALA CA C 47 50.690 50.690 52.075 -1.385 18088
1933 1 5 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.979 0.811 18088
1934 1 5 . 1 1 47 47 ALA H H 47 7.620 7.620 7.502 0.118 18088
1935 1 5 . 1 1 48 48 GLN N N 48 116.830 116.830 117.510 -0.680 18088
1936 1 5 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.153 -0.353 18088
1937 1 5 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.666 0.484 18088
1938 1 5 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.968 0.842 18088
1939 1 5 . 1 1 48 48 GLN H H 48 7.740 7.740 7.387 0.353 18088
1940 1 5 . 1 1 49 49 LYS N N 49 121.570 121.570 123.984 -2.414 18088
1941 1 5 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.587 -0.467 18088
1942 1 5 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.621 -0.791 18088
1943 1 5 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.256 -3.206 18088
1944 1 5 . 1 1 49 49 LYS H H 49 7.790 7.790 8.839 -1.049 18088
1945 1 5 . 1 1 50 50 ASP N N 50 118.910 118.910 123.455 -4.545 18088
1946 1 5 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.701 -0.011 18088
1947 1 5 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.690 -1.860 18088
1948 1 5 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.051 0.899 18088
1949 1 5 . 1 1 50 50 ASP H H 50 7.480 7.480 8.224 -0.744 18088
1950 1 5 . 1 1 51 51 VAL N N 51 122.060 122.060 122.063 -0.003 18088
1951 1 5 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.579 0.321 18088
1952 1 5 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.114 -0.384 18088
1953 1 5 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.392 0.558 18088
1954 1 5 . 1 1 51 51 VAL H H 51 7.820 7.820 8.876 -1.056 18088
1955 1 5 . 1 1 52 52 ASP N N 52 120.090 120.090 121.012 -0.922 18088
1956 1 5 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.379 0.001 18088
1957 1 5 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.381 -0.121 18088
1958 1 5 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.084 0.496 18088
1959 1 5 . 1 1 52 52 ASP H H 52 8.190 8.190 7.999 0.191 18088
1960 1 5 . 1 1 53 53 ALA N N 53 122.110 122.110 122.114 -0.004 18088
1961 1 5 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.247 -0.207 18088
1962 1 5 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.902 -0.302 18088
1963 1 5 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.786 -0.106 18088
1964 1 5 . 1 1 53 53 ALA H H 53 7.620 7.620 8.128 -0.508 18088
1965 1 5 . 1 1 54 54 VAL N N 54 118.070 118.070 119.657 -1.587 18088
1966 1 5 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.452 -0.032 18088
1967 1 5 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.999 -0.659 18088
1968 1 5 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.481 0.529 18088
1969 1 5 . 1 1 54 54 VAL H H 54 7.380 7.380 7.527 -0.147 18088
1970 1 5 . 1 1 55 55 ASP N N 55 119.590 119.590 118.172 1.418 18088
1971 1 5 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.426 -0.116 18088
1972 1 5 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.009 0.361 18088
1973 1 5 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.706 0.254 18088
1974 1 5 . 1 1 55 55 ASP H H 55 8.500 8.500 8.078 0.422 18088
1975 1 5 . 1 1 56 56 LYS N N 56 118.010 118.010 119.985 -1.975 18088
1976 1 5 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.043 -0.103 18088
1977 1 5 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.321 0.439 18088
1978 1 5 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.582 -0.072 18088
1979 1 5 . 1 1 56 56 LYS H H 56 7.970 7.970 7.395 0.575 18088
1980 1 5 . 1 1 57 57 VAL N N 57 119.390 119.390 120.327 -0.937 18088
1981 1 5 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.629 0.081 18088
1982 1 5 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.112 -0.072 18088
1983 1 5 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.989 0.111 18088
1984 1 5 . 1 1 57 57 VAL H H 57 7.310 7.310 8.399 -1.089 18088
1985 1 5 . 1 1 58 58 MET N N 58 116.040 116.040 116.477 -0.437 18088
1986 1 5 . 1 1 58 58 MET HA H 58 4.120 4.120 4.116 0.004 18088
1987 1 5 . 1 1 58 58 MET CA C 58 57.430 57.430 58.225 -0.795 18088
1988 1 5 . 1 1 58 58 MET CB C 58 31.260 31.260 31.618 -0.358 18088
1989 1 5 . 1 1 58 58 MET H H 58 8.370 8.370 8.017 0.353 18088
1990 1 5 . 1 1 59 59 LYS N N 59 118.900 118.900 119.413 -0.513 18088
1991 1 5 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.102 -0.032 18088
1992 1 5 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.831 0.299 18088
1993 1 5 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.241 0.149 18088
1994 1 5 . 1 1 59 59 LYS H H 59 8.600 8.600 7.931 0.669 18088
1995 1 5 . 1 1 60 60 GLU N N 60 119.880 119.880 119.773 0.107 18088
1996 1 5 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.057 -0.017 18088
1997 1 5 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.362 0.168 18088
1998 1 5 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.778 -1.228 18088
1999 1 5 . 1 1 60 60 GLU H H 60 7.430 7.430 7.720 -0.290 18088
2000 1 5 . 1 1 61 61 LEU N N 61 116.900 116.900 117.512 -0.612 18088
2001 1 5 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.126 -0.186 18088
2002 1 5 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.089 0.121 18088
2003 1 5 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.670 -1.140 18088
2004 1 5 . 1 1 61 61 LEU H H 61 7.600 7.600 7.473 0.127 18088
2005 1 5 . 1 1 62 62 ASP N N 62 115.990 115.990 118.855 -2.865 18088
2006 1 5 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.280 0.190 18088
2007 1 5 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.005 -0.885 18088
2008 1 5 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.899 0.631 18088
2009 1 5 . 1 1 62 62 ASP H H 62 7.590 7.590 7.704 -0.114 18088
2010 1 5 . 1 1 63 63 GLU N N 63 118.920 118.920 117.499 1.421 18088
2011 1 5 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.272 -0.162 18088
2012 1 5 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.230 -0.200 18088
2013 1 5 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.652 0.348 18088
2014 1 5 . 1 1 63 63 GLU H H 63 8.120 8.120 7.765 0.355 18088
2015 1 5 . 1 1 64 64 ASN N N 64 117.750 117.750 118.288 -0.538 18088
2016 1 5 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.896 0.274 18088
2017 1 5 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.667 -0.797 18088
2018 1 5 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.129 0.481 18088
2019 1 5 . 1 1 64 64 ASN H H 64 7.730 7.730 7.675 0.055 18088
2020 1 5 . 1 1 65 65 GLY N N 65 107.100 107.100 109.535 -2.435 18088
2021 1 5 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.009 0.871 18088
2022 1 5 . 1 1 65 65 GLY H H 65 7.750 7.750 7.799 -0.049 18088
2023 1 5 . 1 1 66 66 ASP N N 66 115.630 115.630 120.595 -4.965 18088
2024 1 5 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.759 0.071 18088
2025 1 5 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.726 0.324 18088
2026 1 5 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.100 -0.540 18088
2027 1 5 . 1 1 66 66 ASP H H 66 8.320 8.320 8.143 0.177 18088
2028 1 5 . 1 1 67 67 GLY N N 67 109.240 109.240 108.412 0.828 18088
2029 1 5 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.955 -0.164 18088
2030 1 5 . 1 1 67 67 GLY H H 67 8.260 8.260 7.727 0.533 18088
2031 1 5 . 1 1 68 68 GLU N N 68 117.540 117.540 117.178 0.362 18088
2032 1 5 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.596 0.654 18088
2033 1 5 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.258 -0.288 18088
2034 1 5 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.605 0.285 18088
2035 1 5 . 1 1 68 68 GLU H H 68 8.500 8.500 8.038 0.462 18088
2036 1 5 . 1 1 69 69 VAL N N 69 115.550 115.550 120.045 -4.495 18088
2037 1 5 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.657 0.303 18088
2038 1 5 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.872 -0.802 18088
2039 1 5 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.651 -0.641 18088
2040 1 5 . 1 1 69 69 VAL H H 69 9.190 9.190 8.659 0.530 18088
2041 1 5 . 1 1 70 70 ASP N N 70 121.130 121.130 120.814 0.316 18088
2042 1 5 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.964 0.596 18088
2043 1 5 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.945 -1.945 18088
2044 1 5 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.091 0.579 18088
2045 1 5 . 1 1 70 70 ASP H H 70 8.320 8.320 8.186 0.134 18088
2046 1 5 . 1 1 71 71 PHE N N 71 119.290 119.290 121.193 -1.903 18088
2047 1 5 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.271 -0.801 18088
2048 1 5 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.497 -1.037 18088
2049 1 5 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.708 0.522 18088
2050 1 5 . 1 1 71 71 PHE H H 71 9.480 9.480 8.670 0.810 18088
2051 1 5 . 1 1 72 72 GLN N N 72 116.810 116.810 118.416 -1.606 18088
2052 1 5 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.926 -0.516 18088
2053 1 5 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.778 0.872 18088
2054 1 5 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.207 0.523 18088
2055 1 5 . 1 1 72 72 GLN H H 72 8.140 8.140 9.013 -0.873 18088
2056 1 5 . 1 1 73 73 GLU N N 73 119.590 119.590 117.659 1.931 18088
2057 1 5 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.037 -0.077 18088
2058 1 5 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.793 0.337 18088
2059 1 5 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.139 1.051 18088
2060 1 5 . 1 1 73 73 GLU H H 73 8.260 8.260 8.017 0.243 18088
2061 1 5 . 1 1 74 74 TYR N N 74 122.520 122.520 122.594 -0.074 18088
2062 1 5 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.093 0.237 18088
2063 1 5 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.243 -1.123 18088
2064 1 5 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.296 -1.586 18088
2065 1 5 . 1 1 74 74 TYR H H 74 8.240 8.240 8.261 -0.021 18088
2066 1 5 . 1 1 75 75 VAL N N 75 120.300 120.300 118.047 2.253 18088
2067 1 5 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.218 -0.568 18088
2068 1 5 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.959 0.921 18088
2069 1 5 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.116 -0.686 18088
2070 1 5 . 1 1 75 75 VAL H H 75 7.980 7.980 8.141 -0.161 18088
2071 1 5 . 1 1 76 76 VAL N N 76 119.180 119.180 120.257 -1.077 18088
2072 1 5 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.512 -0.182 18088
2073 1 5 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.354 0.296 18088
2074 1 5 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.560 0.030 18088
2075 1 5 . 1 1 76 76 VAL H H 76 7.560 7.560 8.119 -0.559 18088
2076 1 5 . 1 1 77 77 LEU N N 77 121.440 121.440 119.756 1.684 18088
2077 1 5 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.950 0.190 18088
2078 1 5 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.971 0.209 18088
2079 1 5 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.762 0.188 18088
2080 1 5 . 1 1 77 77 LEU H H 77 7.740 7.740 7.153 0.587 18088
2081 1 5 . 1 1 78 78 VAL N N 78 119.220 119.220 115.270 3.950 18088
2082 1 5 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.484 -0.044 18088
2083 1 5 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.595 1.535 18088
2084 1 5 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.057 0.253 18088
2085 1 5 . 1 1 78 78 VAL H H 78 8.320 8.320 7.101 1.219 18088
2086 1 5 . 1 1 79 79 ALA N N 79 124.780 124.780 121.016 3.764 18088
2087 1 5 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.166 -0.156 18088
2088 1 5 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.746 2.114 18088
2089 1 5 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.374 -0.414 18088
2090 1 5 . 1 1 79 79 ALA H H 79 9.000 9.000 7.903 1.097 18088
2091 1 5 . 1 1 80 80 ALA N N 80 121.760 121.760 121.333 0.427 18088
2092 1 5 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.974 -0.054 18088
2093 1 5 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.566 0.603 18088
2094 1 5 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.221 -0.742 18088
2095 1 5 . 1 1 80 80 ALA H H 80 8.240 8.240 7.594 0.646 18088
2096 1 5 . 1 1 81 81 LEU N N 81 118.310 118.310 117.565 0.745 18088
2097 1 5 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.089 -0.439 18088
2098 1 5 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.386 -0.076 18088
2099 1 5 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.955 -1.305 18088
2100 1 5 . 1 1 81 81 LEU H H 81 7.920 7.920 7.426 0.494 18088
2101 1 5 . 1 1 82 82 THR N N 82 116.240 116.240 115.806 0.434 18088
2102 1 5 . 1 1 82 82 THR HA H 82 3.710 3.710 3.973 -0.263 18088
2103 1 5 . 1 1 82 82 THR CA C 82 68.770 68.770 67.132 1.639 18088
2104 1 5 . 1 1 82 82 THR CB C 82 67.420 67.420 68.494 -1.074 18088
2105 1 5 . 1 1 82 82 THR H H 82 8.120 8.120 7.569 0.551 18088
2106 1 5 . 1 1 83 83 VAL N N 83 120.000 120.000 112.133 7.867 18088
2107 1 5 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.581 -0.551 18088
2108 1 5 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.447 3.503 18088
2109 1 5 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.354 -0.504 18088
2110 1 5 . 1 1 83 83 VAL H H 83 7.780 7.780 7.233 0.547 18088
2111 1 5 . 1 1 87 87 ASN N N 87 124.810 124.810 117.707 7.103 18088
2112 1 5 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.210 0.020 18088
2113 1 5 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.262 1.768 18088
2114 1 5 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.285 -0.014 18088
2115 1 5 . 1 1 87 87 ASN H H 87 9.130 9.130 7.625 1.505 18088
2116 1 5 . 1 1 88 88 PHE N N 88 120.680 120.680 115.253 5.427 18088
2117 1 5 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.030 0.060 18088
2118 1 5 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.307 1.523 18088
2119 1 5 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.262 1.048 18088
2120 1 5 . 1 1 88 88 PHE H H 88 8.650 8.650 7.682 0.968 18088
2121 1 5 . 1 1 89 89 PHE N N 89 112.580 112.580 114.087 -1.507 18088
2122 1 5 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.792 -0.992 18088
2123 1 5 . 1 1 89 89 PHE CA C 89 58.910 58.910 56.561 2.349 18088
2124 1 5 . 1 1 89 89 PHE CB C 89 38.880 38.880 39.855 -0.975 18088
2125 1 5 . 1 1 89 89 PHE H H 89 7.410 7.410 7.306 0.104 18088
2126 1 5 . 1 1 90 90 TRP N N 90 118.690 118.690 122.579 -3.889 18088
2127 1 5 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.722 -0.132 18088
2128 1 5 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.611 -0.311 18088
2129 1 5 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.648 3.531 18088
2130 1 5 . 1 1 90 90 TRP H H 90 7.370 7.370 8.278 -0.908 18088
2131 1 5 . 1 1 91 91 GLU N N 91 121.380 121.380 120.275 1.105 18088
2132 1 5 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.436 -0.096 18088
2133 1 5 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.128 0.342 18088
2134 1 5 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.399 -0.969 18088
2135 1 5 . 1 1 91 91 GLU H H 91 7.820 7.820 8.284 -0.464 18088
2136 1 5 . 1 1 92 92 ASN N N 92 120.640 120.640 125.312 -4.672 18088
2137 1 5 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.704 0.096 18088
2138 1 5 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.107 -0.567 18088
2139 1 5 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.907 0.073 18088
2140 1 5 . 1 1 92 92 ASN H H 92 8.560 8.560 8.605 -0.045 18088
2141 1 6 . 1 1 2 2 SER N N 2 118.720 118.720 116.229 2.491 18088
2142 1 6 . 1 1 2 2 SER HA H 2 4.690 4.690 4.581 0.109 18088
2143 1 6 . 1 1 2 2 SER CA C 2 57.270 57.270 58.059 -0.789 18088
2144 1 6 . 1 1 2 2 SER CB C 2 65.140 65.140 64.660 0.480 18088
2145 1 6 . 1 1 2 2 SER H H 2 9.270 9.270 7.718 1.552 18088
2146 1 6 . 1 1 3 3 GLU N N 3 122.920 122.920 122.235 0.685 18088
2147 1 6 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.008 0.112 18088
2148 1 6 . 1 1 3 3 GLU CA C 3 60.490 60.490 60.190 0.300 18088
2149 1 6 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.636 -0.666 18088
2150 1 6 . 1 1 3 3 GLU H H 3 9.260 9.260 8.839 0.421 18088
2151 1 6 . 1 1 4 4 LEU N N 4 121.140 121.140 119.748 1.392 18088
2152 1 6 . 1 1 4 4 LEU HA H 4 4.040 4.040 3.999 0.041 18088
2153 1 6 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.856 0.204 18088
2154 1 6 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.474 0.716 18088
2155 1 6 . 1 1 4 4 LEU H H 4 8.920 8.920 8.140 0.780 18088
2156 1 6 . 1 1 5 5 GLU N N 5 118.710 118.710 117.162 1.548 18088
2157 1 6 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.956 -0.676 18088
2158 1 6 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.677 -0.007 18088
2159 1 6 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.250 -0.100 18088
2160 1 6 . 1 1 5 5 GLU H H 5 7.880 7.880 7.819 0.061 18088
2161 1 6 . 1 1 6 6 THR N N 6 116.050 116.050 116.246 -0.196 18088
2162 1 6 . 1 1 6 6 THR HA H 6 4.020 4.020 4.125 -0.105 18088
2163 1 6 . 1 1 6 6 THR CA C 6 66.580 66.580 66.355 0.225 18088
2164 1 6 . 1 1 6 6 THR CB C 6 68.620 68.620 68.558 0.062 18088
2165 1 6 . 1 1 6 6 THR H H 6 8.440 8.440 7.961 0.479 18088
2166 1 6 . 1 1 7 7 ALA N N 7 125.840 125.840 126.252 -0.412 18088
2167 1 6 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.194 0.086 18088
2168 1 6 . 1 1 7 7 ALA CA C 7 55.600 55.600 54.850 0.750 18088
2169 1 6 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.507 -0.437 18088
2170 1 6 . 1 1 7 7 ALA H H 7 8.320 8.320 8.582 -0.262 18088
2171 1 6 . 1 1 8 8 MET N N 8 115.330 115.330 117.342 -2.012 18088
2172 1 6 . 1 1 8 8 MET HA H 8 4.860 4.860 4.121 0.739 18088
2173 1 6 . 1 1 8 8 MET CA C 8 56.510 56.510 57.565 -1.055 18088
2174 1 6 . 1 1 8 8 MET CB C 8 28.930 28.930 31.200 -2.270 18088
2175 1 6 . 1 1 8 8 MET H H 8 8.150 8.150 8.275 -0.125 18088
2176 1 6 . 1 1 9 9 GLU N N 9 120.410 120.410 119.157 1.253 18088
2177 1 6 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.040 0.120 18088
2178 1 6 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.478 0.472 18088
2179 1 6 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.669 -0.849 18088
2180 1 6 . 1 1 9 9 GLU H H 9 8.760 8.760 7.778 0.982 18088
2181 1 6 . 1 1 10 10 THR N N 10 118.820 118.820 113.020 5.800 18088
2182 1 6 . 1 1 10 10 THR HA H 10 4.130 4.130 4.330 -0.200 18088
2183 1 6 . 1 1 10 10 THR CA C 10 67.180 67.180 64.980 2.200 18088
2184 1 6 . 1 1 10 10 THR CB C 10 67.770 67.770 68.880 -1.111 18088
2185 1 6 . 1 1 10 10 THR H H 10 8.510 8.510 7.977 0.533 18088
2186 1 6 . 1 1 11 11 LEU N N 11 121.840 121.840 122.013 -0.173 18088
2187 1 6 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.323 -0.243 18088
2188 1 6 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.994 2.256 18088
2189 1 6 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.246 0.654 18088
2190 1 6 . 1 1 11 11 LEU H H 11 8.380 8.380 7.964 0.416 18088
2191 1 6 . 1 1 12 12 ILE N N 12 121.310 121.310 119.259 2.051 18088
2192 1 6 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.821 -0.281 18088
2193 1 6 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.294 0.826 18088
2194 1 6 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.396 0.944 18088
2195 1 6 . 1 1 12 12 ILE H H 12 8.520 8.520 7.582 0.938 18088
2196 1 6 . 1 1 13 13 ASN N N 13 120.570 120.570 119.149 1.421 18088
2197 1 6 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.382 -0.012 18088
2198 1 6 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.083 0.457 18088
2199 1 6 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.538 -0.628 18088
2200 1 6 . 1 1 13 13 ASN H H 13 8.700 8.700 7.624 1.076 18088
2201 1 6 . 1 1 14 14 VAL N N 14 122.040 122.040 118.334 3.706 18088
2202 1 6 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.748 0.132 18088
2203 1 6 . 1 1 14 14 VAL CA C 14 66.510 66.510 64.587 1.923 18088
2204 1 6 . 1 1 14 14 VAL CB C 14 31.820 31.820 30.624 1.196 18088
2205 1 6 . 1 1 14 14 VAL H H 14 8.900 8.900 7.526 1.374 18088
2206 1 6 . 1 1 15 15 PHE N N 15 120.410 120.410 121.803 -1.393 18088
2207 1 6 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.332 0.248 18088
2208 1 6 . 1 1 15 15 PHE CA C 15 62.380 62.380 60.836 1.544 18088
2209 1 6 . 1 1 15 15 PHE CB C 15 39.430 39.430 38.810 0.620 18088
2210 1 6 . 1 1 15 15 PHE H H 15 7.490 7.490 7.455 0.035 18088
2211 1 6 . 1 1 16 16 HIS N N 16 118.200 118.200 117.272 0.928 18088
2212 1 6 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.251 0.969 18088
2213 1 6 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.722 -3.392 18088
2214 1 6 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.040 0.140 18088
2215 1 6 . 1 1 16 16 HIS H H 16 9.280 9.280 8.246 1.034 18088
2216 1 6 . 1 1 17 17 ALA N N 17 121.060 121.060 120.711 0.349 18088
2217 1 6 . 1 1 17 17 ALA HA H 17 3.830 3.830 4.190 -0.360 18088
2218 1 6 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.278 1.152 18088
2219 1 6 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.527 -0.997 18088
2220 1 6 . 1 1 17 17 ALA H H 17 8.180 8.180 7.052 1.128 18088
2221 1 6 . 1 1 18 18 HIS N N 18 112.580 112.580 115.317 -2.737 18088
2222 1 6 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.433 -0.053 18088
2223 1 6 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.649 1.781 18088
2224 1 6 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.126 0.824 18088
2225 1 6 . 1 1 18 18 HIS H H 18 7.410 7.410 7.050 0.360 18088
2226 1 6 . 1 1 19 19 SER HA H 19 4.100 4.100 4.101 -0.001 18088
2227 1 6 . 1 1 19 19 SER CA C 19 60.250 60.250 59.676 0.574 18088
2228 1 6 . 1 1 19 19 SER CB C 19 61.700 61.700 62.987 -1.287 18088
2229 1 6 . 1 1 20 20 GLY N N 20 106.830 106.830 113.233 -6.403 18088
2230 1 6 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.090 0.060 18088
2231 1 6 . 1 1 20 20 GLY H H 20 8.260 8.260 8.732 -0.472 18088
2232 1 6 . 1 1 21 21 LYS N N 21 120.310 120.310 122.948 -2.638 18088
2233 1 6 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.306 -0.336 18088
2234 1 6 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.148 2.352 18088
2235 1 6 . 1 1 21 21 LYS CB C 21 32.700 32.700 31.692 1.008 18088
2236 1 6 . 1 1 21 21 LYS H H 21 7.670 7.670 8.053 -0.383 18088
2237 1 6 . 1 1 22 22 GLU N N 22 117.240 117.240 124.279 -7.039 18088
2238 1 6 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.114 0.316 18088
2239 1 6 . 1 1 22 22 GLU CA C 22 55.320 55.320 58.102 -2.782 18088
2240 1 6 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.256 1.894 18088
2241 1 6 . 1 1 22 22 GLU H H 22 7.870 7.870 8.568 -0.698 18088
2242 1 6 . 1 1 23 23 GLY N N 23 107.910 107.910 110.971 -3.061 18088
2243 1 6 . 1 1 23 23 GLY CA C 23 45.860 45.860 46.521 -0.661 18088
2244 1 6 . 1 1 23 23 GLY H H 23 8.110 8.110 8.325 -0.215 18088
2245 1 6 . 1 1 24 24 ASP N N 24 122.900 122.900 120.414 2.486 18088
2246 1 6 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.891 -0.341 18088
2247 1 6 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.325 0.165 18088
2248 1 6 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.006 0.354 18088
2249 1 6 . 1 1 24 24 ASP H H 24 8.180 8.180 8.162 0.018 18088
2250 1 6 . 1 1 25 25 LYS N N 25 124.810 124.810 125.711 -0.901 18088
2251 1 6 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.103 -0.013 18088
2252 1 6 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.856 -1.476 18088
2253 1 6 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.706 -0.756 18088
2254 1 6 . 1 1 25 25 LYS H H 25 8.440 8.440 8.709 -0.269 18088
2255 1 6 . 1 1 26 26 TYR N N 26 117.200 117.200 115.087 2.113 18088
2256 1 6 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.433 0.687 18088
2257 1 6 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.303 -1.953 18088
2258 1 6 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.346 -0.676 18088
2259 1 6 . 1 1 26 26 TYR H H 26 8.490 8.490 8.348 0.142 18088
2260 1 6 . 1 1 27 27 LYS N N 27 118.320 118.320 116.413 1.907 18088
2261 1 6 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.925 0.555 18088
2262 1 6 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.847 -0.088 18088
2263 1 6 . 1 1 27 27 LYS CB C 27 37.420 37.420 35.522 1.898 18088
2264 1 6 . 1 1 27 27 LYS H H 27 7.870 7.870 7.555 0.315 18088
2265 1 6 . 1 1 28 28 LEU N N 28 121.530 121.530 120.846 0.684 18088
2266 1 6 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.662 0.058 18088
2267 1 6 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.856 -1.136 18088
2268 1 6 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.619 0.761 18088
2269 1 6 . 1 1 28 28 LEU H H 28 8.840 8.840 7.921 0.919 18088
2270 1 6 . 1 1 29 29 SER N N 29 120.620 120.620 118.317 2.303 18088
2271 1 6 . 1 1 29 29 SER HA H 29 5.040 5.040 4.494 0.546 18088
2272 1 6 . 1 1 29 29 SER CA C 29 57.850 57.850 59.995 -2.145 18088
2273 1 6 . 1 1 29 29 SER CB C 29 64.240 64.240 63.808 0.432 18088
2274 1 6 . 1 1 29 29 SER H H 29 8.940 8.940 8.623 0.317 18088
2275 1 6 . 1 1 30 30 LYS N N 30 124.390 124.390 123.545 0.845 18088
2276 1 6 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.106 -0.246 18088
2277 1 6 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.838 1.622 18088
2278 1 6 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.776 -0.956 18088
2279 1 6 . 1 1 30 30 LYS H H 30 8.810 8.810 8.458 0.352 18088
2280 1 6 . 1 1 31 31 LYS N N 31 120.250 120.250 119.669 0.581 18088
2281 1 6 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.894 0.276 18088
2282 1 6 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.521 -0.231 18088
2283 1 6 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.740 0.730 18088
2284 1 6 . 1 1 31 31 LYS H H 31 8.740 8.740 7.783 0.957 18088
2285 1 6 . 1 1 32 32 GLU N N 32 121.570 121.570 119.109 2.461 18088
2286 1 6 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.075 0.005 18088
2287 1 6 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.856 -0.576 18088
2288 1 6 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.105 0.135 18088
2289 1 6 . 1 1 32 32 GLU H H 32 7.790 7.790 8.594 -0.804 18088
2290 1 6 . 1 1 33 33 LEU N N 33 121.720 121.720 121.684 0.036 18088
2291 1 6 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.076 -0.076 18088
2292 1 6 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.109 0.081 18088
2293 1 6 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.029 -1.549 18088
2294 1 6 . 1 1 33 33 LEU H H 33 8.890 8.890 8.304 0.586 18088
2295 1 6 . 1 1 34 34 LYS N N 34 120.420 120.420 119.849 0.571 18088
2296 1 6 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.765 -0.145 18088
2297 1 6 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.675 0.165 18088
2298 1 6 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.106 -0.356 18088
2299 1 6 . 1 1 34 34 LYS H H 34 8.420 8.420 8.283 0.137 18088
2300 1 6 . 1 1 35 35 GLU N N 35 117.260 117.260 118.221 -0.961 18088
2301 1 6 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.052 0.018 18088
2302 1 6 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.823 0.427 18088
2303 1 6 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.701 -0.651 18088
2304 1 6 . 1 1 35 35 GLU H H 35 7.220 7.220 7.493 -0.273 18088
2305 1 6 . 1 1 36 36 LEU N N 36 122.740 122.740 121.264 1.476 18088
2306 1 6 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.919 -0.189 18088
2307 1 6 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.048 1.172 18088
2308 1 6 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.096 1.104 18088
2309 1 6 . 1 1 36 36 LEU H H 36 8.330 8.330 7.259 1.071 18088
2310 1 6 . 1 1 37 37 LEU N N 37 120.360 120.360 114.985 5.375 18088
2311 1 6 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.178 -0.498 18088
2312 1 6 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.822 0.448 18088
2313 1 6 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.181 0.319 18088
2314 1 6 . 1 1 37 37 LEU H H 37 8.790 8.790 7.682 1.108 18088
2315 1 6 . 1 1 38 38 GLN N N 38 113.560 113.560 118.078 -4.518 18088
2316 1 6 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.043 -0.323 18088
2317 1 6 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.373 0.307 18088
2318 1 6 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.516 0.244 18088
2319 1 6 . 1 1 38 38 GLN H H 38 8.100 8.100 8.013 0.087 18088
2320 1 6 . 1 1 39 39 THR N N 39 109.810 109.810 115.619 -5.809 18088
2321 1 6 . 1 1 39 39 THR HA H 39 4.280 4.280 4.180 0.100 18088
2322 1 6 . 1 1 39 39 THR CA C 39 64.510 64.510 65.655 -1.145 18088
2323 1 6 . 1 1 39 39 THR CB C 39 69.740 69.740 68.956 0.784 18088
2324 1 6 . 1 1 39 39 THR H H 39 7.690 7.690 8.094 -0.404 18088
2325 1 6 . 1 1 40 40 GLU N N 40 118.480 118.480 121.192 -2.712 18088
2326 1 6 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.257 0.473 18088
2327 1 6 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.303 -1.613 18088
2328 1 6 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.694 0.396 18088
2329 1 6 . 1 1 40 40 GLU H H 40 9.000 9.000 7.796 1.204 18088
2330 1 6 . 1 1 41 41 LEU N N 41 120.000 120.000 120.598 -0.598 18088
2331 1 6 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.563 0.587 18088
2332 1 6 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.803 -0.563 18088
2333 1 6 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.317 0.933 18088
2334 1 6 . 1 1 41 41 LEU H H 41 7.890 7.890 7.927 -0.037 18088
2335 1 6 . 1 1 42 42 SER N N 42 112.560 112.560 117.533 -4.973 18088
2336 1 6 . 1 1 42 42 SER HA H 42 3.840 3.840 4.305 -0.465 18088
2337 1 6 . 1 1 42 42 SER CA C 42 61.610 61.610 61.388 0.222 18088
2338 1 6 . 1 1 42 42 SER CB C 42 62.780 62.780 63.112 -0.333 18088
2339 1 6 . 1 1 42 42 SER H H 42 6.890 6.890 7.577 -0.687 18088
2340 1 6 . 1 1 43 43 GLY N N 43 114.540 114.540 109.616 4.924 18088
2341 1 6 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.313 -0.653 18088
2342 1 6 . 1 1 43 43 GLY H H 43 9.310 9.310 8.424 0.886 18088
2343 1 6 . 1 1 44 44 PHE N N 44 125.000 125.000 117.933 7.067 18088
2344 1 6 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.467 0.113 18088
2345 1 6 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.586 -1.976 18088
2346 1 6 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.904 -2.443 18088
2347 1 6 . 1 1 44 44 PHE H H 44 8.400 8.400 7.629 0.771 18088
2348 1 6 . 1 1 45 45 LEU N N 45 116.880 116.880 119.845 -2.965 18088
2349 1 6 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.050 -0.540 18088
2350 1 6 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.211 0.029 18088
2351 1 6 . 1 1 45 45 LEU CB C 45 41.520 41.520 42.006 -0.486 18088
2352 1 6 . 1 1 45 45 LEU H H 45 8.550 8.550 8.053 0.497 18088
2353 1 6 . 1 1 46 46 ASP N N 46 119.260 119.260 119.902 -0.642 18088
2354 1 6 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.393 0.327 18088
2355 1 6 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.894 -1.764 18088
2356 1 6 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.385 1.075 18088
2357 1 6 . 1 1 46 46 ASP H H 46 7.460 7.460 8.012 -0.552 18088
2358 1 6 . 1 1 47 47 ALA N N 47 124.850 124.850 122.424 2.426 18088
2359 1 6 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.267 0.273 18088
2360 1 6 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.497 -0.807 18088
2361 1 6 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.154 1.636 18088
2362 1 6 . 1 1 47 47 ALA H H 47 7.620 7.620 7.561 0.059 18088
2363 1 6 . 1 1 48 48 GLN N N 48 116.830 116.830 118.680 -1.850 18088
2364 1 6 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.275 -0.475 18088
2365 1 6 . 1 1 48 48 GLN CA C 48 57.150 57.150 55.854 1.296 18088
2366 1 6 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.402 0.408 18088
2367 1 6 . 1 1 48 48 GLN H H 48 7.740 7.740 7.812 -0.072 18088
2368 1 6 . 1 1 49 49 LYS N N 49 121.570 121.570 118.374 3.196 18088
2369 1 6 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.279 -0.159 18088
2370 1 6 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.760 -0.930 18088
2371 1 6 . 1 1 49 49 LYS CB C 49 31.050 31.050 32.971 -1.921 18088
2372 1 6 . 1 1 49 49 LYS H H 49 7.790 7.790 8.205 -0.415 18088
2373 1 6 . 1 1 50 50 ASP N N 50 118.910 118.910 124.375 -5.465 18088
2374 1 6 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.731 -0.041 18088
2375 1 6 . 1 1 50 50 ASP CA C 50 51.830 51.830 54.269 -2.439 18088
2376 1 6 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.995 -0.045 18088
2377 1 6 . 1 1 50 50 ASP H H 50 7.480 7.480 8.102 -0.622 18088
2378 1 6 . 1 1 51 51 VAL N N 51 122.060 122.060 123.519 -1.459 18088
2379 1 6 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.661 0.239 18088
2380 1 6 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.489 -0.759 18088
2381 1 6 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.412 0.538 18088
2382 1 6 . 1 1 51 51 VAL H H 51 7.820 7.820 8.823 -1.003 18088
2383 1 6 . 1 1 52 52 ASP N N 52 120.090 120.090 120.307 -0.217 18088
2384 1 6 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.386 -0.006 18088
2385 1 6 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.318 -0.058 18088
2386 1 6 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.525 0.055 18088
2387 1 6 . 1 1 52 52 ASP H H 52 8.190 8.190 8.347 -0.157 18088
2388 1 6 . 1 1 53 53 ALA N N 53 122.110 122.110 122.130 -0.020 18088
2389 1 6 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.258 -0.218 18088
2390 1 6 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.931 -0.331 18088
2391 1 6 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.817 -0.136 18088
2392 1 6 . 1 1 53 53 ALA H H 53 7.620 7.620 8.598 -0.978 18088
2393 1 6 . 1 1 54 54 VAL N N 54 118.070 118.070 119.402 -1.332 18088
2394 1 6 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.455 -0.035 18088
2395 1 6 . 1 1 54 54 VAL CA C 54 66.340 66.340 67.139 -0.799 18088
2396 1 6 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.635 0.375 18088
2397 1 6 . 1 1 54 54 VAL H H 54 7.380 7.380 7.648 -0.268 18088
2398 1 6 . 1 1 55 55 ASP N N 55 119.590 119.590 118.564 1.026 18088
2399 1 6 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.382 -0.072 18088
2400 1 6 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.447 -0.077 18088
2401 1 6 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.867 0.093 18088
2402 1 6 . 1 1 55 55 ASP H H 55 8.500 8.500 8.254 0.246 18088
2403 1 6 . 1 1 56 56 LYS N N 56 118.010 118.010 119.925 -1.915 18088
2404 1 6 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.027 -0.087 18088
2405 1 6 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.374 0.386 18088
2406 1 6 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.709 -0.199 18088
2407 1 6 . 1 1 56 56 LYS H H 56 7.970 7.970 7.370 0.600 18088
2408 1 6 . 1 1 57 57 VAL N N 57 119.390 119.390 120.540 -1.150 18088
2409 1 6 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.800 -0.090 18088
2410 1 6 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.463 -0.423 18088
2411 1 6 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.855 0.244 18088
2412 1 6 . 1 1 57 57 VAL H H 57 7.310 7.310 8.497 -1.187 18088
2413 1 6 . 1 1 58 58 MET N N 58 116.040 116.040 115.999 0.041 18088
2414 1 6 . 1 1 58 58 MET HA H 58 4.120 4.120 4.152 -0.032 18088
2415 1 6 . 1 1 58 58 MET CA C 58 57.430 57.430 57.574 -0.144 18088
2416 1 6 . 1 1 58 58 MET CB C 58 31.260 31.260 31.482 -0.222 18088
2417 1 6 . 1 1 58 58 MET H H 58 8.370 8.370 8.234 0.136 18088
2418 1 6 . 1 1 59 59 LYS N N 59 118.900 118.900 119.760 -0.860 18088
2419 1 6 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.122 -0.052 18088
2420 1 6 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.630 0.500 18088
2421 1 6 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.350 0.040 18088
2422 1 6 . 1 1 59 59 LYS H H 59 8.600 8.600 7.845 0.755 18088
2423 1 6 . 1 1 60 60 GLU N N 60 119.880 119.880 120.246 -0.366 18088
2424 1 6 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.054 -0.014 18088
2425 1 6 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.641 -0.111 18088
2426 1 6 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.776 -1.226 18088
2427 1 6 . 1 1 60 60 GLU H H 60 7.430 7.430 7.985 -0.555 18088
2428 1 6 . 1 1 61 61 LEU N N 61 116.900 116.900 116.917 -0.017 18088
2429 1 6 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.135 -0.195 18088
2430 1 6 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.216 -0.006 18088
2431 1 6 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.635 -1.105 18088
2432 1 6 . 1 1 61 61 LEU H H 61 7.600 7.600 7.515 0.085 18088
2433 1 6 . 1 1 62 62 ASP N N 62 115.990 115.990 118.352 -2.362 18088
2434 1 6 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.259 0.211 18088
2435 1 6 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.142 -1.022 18088
2436 1 6 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.002 0.527 18088
2437 1 6 . 1 1 62 62 ASP H H 62 7.590 7.590 7.767 -0.177 18088
2438 1 6 . 1 1 63 63 GLU N N 63 118.920 118.920 117.251 1.669 18088
2439 1 6 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.295 -0.185 18088
2440 1 6 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.987 0.043 18088
2441 1 6 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.745 0.255 18088
2442 1 6 . 1 1 63 63 GLU H H 63 8.120 8.120 7.711 0.409 18088
2443 1 6 . 1 1 64 64 ASN N N 64 117.750 117.750 118.185 -0.435 18088
2444 1 6 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.914 0.256 18088
2445 1 6 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.960 -1.090 18088
2446 1 6 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.416 0.194 18088
2447 1 6 . 1 1 64 64 ASN H H 64 7.730 7.730 7.631 0.099 18088
2448 1 6 . 1 1 65 65 GLY N N 65 107.100 107.100 109.438 -2.338 18088
2449 1 6 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.126 0.754 18088
2450 1 6 . 1 1 65 65 GLY H H 65 7.750 7.750 7.916 -0.166 18088
2451 1 6 . 1 1 66 66 ASP N N 66 115.630 115.630 120.077 -4.447 18088
2452 1 6 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.745 0.085 18088
2453 1 6 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.037 0.013 18088
2454 1 6 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.230 -0.670 18088
2455 1 6 . 1 1 66 66 ASP H H 66 8.320 8.320 8.307 0.013 18088
2456 1 6 . 1 1 67 67 GLY N N 67 109.240 109.240 108.367 0.873 18088
2457 1 6 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.353 -0.563 18088
2458 1 6 . 1 1 67 67 GLY H H 67 8.260 8.260 7.656 0.604 18088
2459 1 6 . 1 1 68 68 GLU N N 68 117.540 117.540 116.810 0.730 18088
2460 1 6 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.888 0.362 18088
2461 1 6 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.579 -0.609 18088
2462 1 6 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.995 -0.105 18088
2463 1 6 . 1 1 68 68 GLU H H 68 8.500 8.500 8.103 0.397 18088
2464 1 6 . 1 1 69 69 VAL N N 69 115.550 115.550 118.267 -2.717 18088
2465 1 6 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.681 0.279 18088
2466 1 6 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.409 -0.339 18088
2467 1 6 . 1 1 69 69 VAL CB C 69 35.010 35.010 34.971 0.039 18088
2468 1 6 . 1 1 69 69 VAL H H 69 9.190 9.190 8.691 0.499 18088
2469 1 6 . 1 1 70 70 ASP N N 70 121.130 121.130 120.382 0.748 18088
2470 1 6 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.174 0.386 18088
2471 1 6 . 1 1 70 70 ASP CA C 70 51.000 51.000 53.031 -2.031 18088
2472 1 6 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.053 0.616 18088
2473 1 6 . 1 1 70 70 ASP H H 70 8.320 8.320 8.266 0.054 18088
2474 1 6 . 1 1 71 71 PHE N N 71 119.290 119.290 120.385 -1.095 18088
2475 1 6 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.286 -0.816 18088
2476 1 6 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.625 -1.165 18088
2477 1 6 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.841 0.389 18088
2478 1 6 . 1 1 71 71 PHE H H 71 9.480 9.480 8.778 0.702 18088
2479 1 6 . 1 1 72 72 GLN N N 72 116.810 116.810 119.030 -2.220 18088
2480 1 6 . 1 1 72 72 GLN HA H 72 3.410 3.410 4.093 -0.683 18088
2481 1 6 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.028 1.622 18088
2482 1 6 . 1 1 72 72 GLN CB C 72 28.730 28.730 27.832 0.898 18088
2483 1 6 . 1 1 72 72 GLN H H 72 8.140 8.140 8.817 -0.677 18088
2484 1 6 . 1 1 73 73 GLU N N 73 119.590 119.590 119.153 0.437 18088
2485 1 6 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.144 -0.184 18088
2486 1 6 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.490 0.640 18088
2487 1 6 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.704 0.486 18088
2488 1 6 . 1 1 73 73 GLU H H 73 8.260 8.260 9.329 -1.069 18088
2489 1 6 . 1 1 74 74 TYR N N 74 122.520 122.520 122.241 0.279 18088
2490 1 6 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.134 0.196 18088
2491 1 6 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.367 -1.247 18088
2492 1 6 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.474 -1.764 18088
2493 1 6 . 1 1 74 74 TYR H H 74 8.240 8.240 8.328 -0.088 18088
2494 1 6 . 1 1 75 75 VAL N N 75 120.300 120.300 117.057 3.243 18088
2495 1 6 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.286 -0.636 18088
2496 1 6 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.190 0.690 18088
2497 1 6 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.815 -0.385 18088
2498 1 6 . 1 1 75 75 VAL H H 75 7.980 7.980 8.250 -0.270 18088
2499 1 6 . 1 1 76 76 VAL N N 76 119.180 119.180 120.434 -1.254 18088
2500 1 6 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.607 -0.277 18088
2501 1 6 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.419 0.231 18088
2502 1 6 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.293 0.297 18088
2503 1 6 . 1 1 76 76 VAL H H 76 7.560 7.560 7.665 -0.105 18088
2504 1 6 . 1 1 77 77 LEU N N 77 121.440 121.440 119.983 1.457 18088
2505 1 6 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.987 0.153 18088
2506 1 6 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.273 -0.093 18088
2507 1 6 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.509 0.441 18088
2508 1 6 . 1 1 77 77 LEU H H 77 7.740 7.740 7.587 0.153 18088
2509 1 6 . 1 1 78 78 VAL N N 78 119.220 119.220 115.003 4.217 18088
2510 1 6 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.624 -0.184 18088
2511 1 6 . 1 1 78 78 VAL CA C 78 67.130 67.130 64.668 2.462 18088
2512 1 6 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.400 0.910 18088
2513 1 6 . 1 1 78 78 VAL H H 78 8.320 8.320 7.129 1.191 18088
2514 1 6 . 1 1 79 79 ALA N N 79 124.780 124.780 122.491 2.289 18088
2515 1 6 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.121 -0.111 18088
2516 1 6 . 1 1 79 79 ALA CA C 79 55.860 55.860 54.078 1.782 18088
2517 1 6 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.270 -0.310 18088
2518 1 6 . 1 1 79 79 ALA H H 79 9.000 9.000 8.070 0.930 18088
2519 1 6 . 1 1 80 80 ALA N N 80 121.760 121.760 121.273 0.487 18088
2520 1 6 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.024 -0.104 18088
2521 1 6 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.576 0.594 18088
2522 1 6 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.325 -0.845 18088
2523 1 6 . 1 1 80 80 ALA H H 80 8.240 8.240 8.020 0.220 18088
2524 1 6 . 1 1 81 81 LEU N N 81 118.310 118.310 117.345 0.965 18088
2525 1 6 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.113 -0.463 18088
2526 1 6 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.289 0.021 18088
2527 1 6 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.970 -1.320 18088
2528 1 6 . 1 1 81 81 LEU H H 81 7.920 7.920 7.475 0.445 18088
2529 1 6 . 1 1 82 82 THR N N 82 116.240 116.240 115.589 0.651 18088
2530 1 6 . 1 1 82 82 THR HA H 82 3.710 3.710 4.034 -0.324 18088
2531 1 6 . 1 1 82 82 THR CA C 82 68.770 68.770 66.331 2.439 18088
2532 1 6 . 1 1 82 82 THR CB C 82 67.420 67.420 68.614 -1.194 18088
2533 1 6 . 1 1 82 82 THR H H 82 8.120 8.120 7.809 0.311 18088
2534 1 6 . 1 1 83 83 VAL N N 83 120.000 120.000 112.877 7.123 18088
2535 1 6 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.706 -0.676 18088
2536 1 6 . 1 1 83 83 VAL CA C 83 64.950 64.950 60.830 4.120 18088
2537 1 6 . 1 1 83 83 VAL CB C 83 30.850 30.850 30.811 0.039 18088
2538 1 6 . 1 1 83 83 VAL H H 83 7.780 7.780 7.334 0.446 18088
2539 1 6 . 1 1 87 87 ASN N N 87 124.810 124.810 117.486 7.324 18088
2540 1 6 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.169 0.061 18088
2541 1 6 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.187 1.843 18088
2542 1 6 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.072 0.198 18088
2543 1 6 . 1 1 87 87 ASN H H 87 9.130 9.130 7.642 1.488 18088
2544 1 6 . 1 1 88 88 PHE N N 88 120.680 120.680 114.092 6.588 18088
2545 1 6 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.084 0.006 18088
2546 1 6 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.260 1.570 18088
2547 1 6 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.831 0.479 18088
2548 1 6 . 1 1 88 88 PHE H H 88 8.650 8.650 7.300 1.350 18088
2549 1 6 . 1 1 89 89 PHE N N 89 112.580 112.580 114.243 -1.663 18088
2550 1 6 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.757 -0.957 18088
2551 1 6 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.272 1.638 18088
2552 1 6 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.713 -1.833 18088
2553 1 6 . 1 1 89 89 PHE H H 89 7.410 7.410 7.209 0.201 18088
2554 1 6 . 1 1 90 90 TRP N N 90 118.690 118.690 122.176 -3.486 18088
2555 1 6 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.678 -0.088 18088
2556 1 6 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.650 -0.350 18088
2557 1 6 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.602 3.579 18088
2558 1 6 . 1 1 90 90 TRP H H 90 7.370 7.370 8.284 -0.914 18088
2559 1 6 . 1 1 91 91 GLU N N 91 121.380 121.380 119.513 1.867 18088
2560 1 6 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.443 -0.103 18088
2561 1 6 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.597 -0.127 18088
2562 1 6 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.592 -0.162 18088
2563 1 6 . 1 1 91 91 GLU H H 91 7.820 7.820 8.122 -0.302 18088
2564 1 6 . 1 1 92 92 ASN N N 92 120.640 120.640 123.558 -2.918 18088
2565 1 6 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.723 0.077 18088
2566 1 6 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.675 -0.135 18088
2567 1 6 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.639 0.341 18088
2568 1 6 . 1 1 92 92 ASN H H 92 8.560 8.560 8.755 -0.195 18088
2569 1 7 . 1 1 2 2 SER N N 2 118.720 118.720 116.617 2.103 18088
2570 1 7 . 1 1 2 2 SER HA H 2 4.690 4.690 4.706 -0.016 18088
2571 1 7 . 1 1 2 2 SER CA C 2 57.270 57.270 56.533 0.737 18088
2572 1 7 . 1 1 2 2 SER CB C 2 65.140 65.140 65.512 -0.372 18088
2573 1 7 . 1 1 2 2 SER H H 2 9.270 9.270 8.340 0.930 18088
2574 1 7 . 1 1 3 3 GLU N N 3 122.920 122.920 127.159 -4.239 18088
2575 1 7 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.105 0.015 18088
2576 1 7 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.538 0.952 18088
2577 1 7 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.619 -0.649 18088
2578 1 7 . 1 1 3 3 GLU H H 3 9.260 9.260 9.045 0.215 18088
2579 1 7 . 1 1 4 4 LEU N N 4 121.140 121.140 116.326 4.814 18088
2580 1 7 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.168 -0.128 18088
2581 1 7 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.908 0.152 18088
2582 1 7 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.471 0.719 18088
2583 1 7 . 1 1 4 4 LEU H H 4 8.920 8.920 7.501 1.419 18088
2584 1 7 . 1 1 5 5 GLU N N 5 118.710 118.710 120.299 -1.589 18088
2585 1 7 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.049 -0.769 18088
2586 1 7 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.299 0.371 18088
2587 1 7 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.445 -0.295 18088
2588 1 7 . 1 1 5 5 GLU H H 5 7.880 7.880 8.018 -0.138 18088
2589 1 7 . 1 1 6 6 THR N N 6 116.050 116.050 115.829 0.221 18088
2590 1 7 . 1 1 6 6 THR HA H 6 4.020 4.020 4.080 -0.060 18088
2591 1 7 . 1 1 6 6 THR CA C 6 66.580 66.580 66.168 0.412 18088
2592 1 7 . 1 1 6 6 THR CB C 6 68.620 68.620 68.336 0.284 18088
2593 1 7 . 1 1 6 6 THR H H 6 8.440 8.440 7.586 0.854 18088
2594 1 7 . 1 1 7 7 ALA N N 7 125.840 125.840 125.002 0.838 18088
2595 1 7 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.025 0.255 18088
2596 1 7 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.128 0.472 18088
2597 1 7 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.270 -0.200 18088
2598 1 7 . 1 1 7 7 ALA H H 7 8.320 8.320 7.459 0.861 18088
2599 1 7 . 1 1 8 8 MET N N 8 115.330 115.330 117.118 -1.788 18088
2600 1 7 . 1 1 8 8 MET HA H 8 4.860 4.860 4.149 0.711 18088
2601 1 7 . 1 1 8 8 MET CA C 8 56.510 56.510 57.042 -0.532 18088
2602 1 7 . 1 1 8 8 MET CB C 8 28.930 28.930 30.809 -1.879 18088
2603 1 7 . 1 1 8 8 MET H H 8 8.150 8.150 7.619 0.531 18088
2604 1 7 . 1 1 9 9 GLU N N 9 120.410 120.410 119.083 1.327 18088
2605 1 7 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.960 0.200 18088
2606 1 7 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.721 0.229 18088
2607 1 7 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.639 -0.819 18088
2608 1 7 . 1 1 9 9 GLU H H 9 8.760 8.760 7.805 0.955 18088
2609 1 7 . 1 1 10 10 THR N N 10 118.820 118.820 112.984 5.836 18088
2610 1 7 . 1 1 10 10 THR HA H 10 4.130 4.130 4.350 -0.220 18088
2611 1 7 . 1 1 10 10 THR CA C 10 67.180 67.180 65.222 1.958 18088
2612 1 7 . 1 1 10 10 THR CB C 10 67.770 67.770 68.813 -1.043 18088
2613 1 7 . 1 1 10 10 THR H H 10 8.510 8.510 7.867 0.643 18088
2614 1 7 . 1 1 11 11 LEU N N 11 121.840 121.840 122.728 -0.888 18088
2615 1 7 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.284 -0.204 18088
2616 1 7 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.162 2.088 18088
2617 1 7 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.077 0.823 18088
2618 1 7 . 1 1 11 11 LEU H H 11 8.380 8.380 7.485 0.895 18088
2619 1 7 . 1 1 12 12 ILE N N 12 121.310 121.310 118.495 2.815 18088
2620 1 7 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.584 -0.044 18088
2621 1 7 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.673 0.447 18088
2622 1 7 . 1 1 12 12 ILE CB C 12 38.340 38.340 36.965 1.375 18088
2623 1 7 . 1 1 12 12 ILE H H 12 8.520 8.520 7.981 0.539 18088
2624 1 7 . 1 1 13 13 ASN N N 13 120.570 120.570 117.555 3.015 18088
2625 1 7 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.421 -0.051 18088
2626 1 7 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.066 0.474 18088
2627 1 7 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.180 -0.270 18088
2628 1 7 . 1 1 13 13 ASN H H 13 8.700 8.700 7.753 0.947 18088
2629 1 7 . 1 1 14 14 VAL N N 14 122.040 122.040 119.644 2.396 18088
2630 1 7 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.668 0.212 18088
2631 1 7 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.106 0.404 18088
2632 1 7 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.845 -0.024 18088
2633 1 7 . 1 1 14 14 VAL H H 14 8.900 8.900 7.556 1.344 18088
2634 1 7 . 1 1 15 15 PHE N N 15 120.410 120.410 119.913 0.497 18088
2635 1 7 . 1 1 15 15 PHE HA H 15 3.580 3.580 4.007 -0.427 18088
2636 1 7 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.171 1.209 18088
2637 1 7 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.282 0.148 18088
2638 1 7 . 1 1 15 15 PHE H H 15 7.490 7.490 7.248 0.242 18088
2639 1 7 . 1 1 16 16 HIS N N 16 118.200 118.200 119.216 -1.016 18088
2640 1 7 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.450 0.770 18088
2641 1 7 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.718 -2.388 18088
2642 1 7 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.843 0.337 18088
2643 1 7 . 1 1 16 16 HIS H H 16 9.280 9.280 8.409 0.871 18088
2644 1 7 . 1 1 17 17 ALA N N 17 121.060 121.060 121.906 -0.846 18088
2645 1 7 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.911 -0.081 18088
2646 1 7 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.839 0.591 18088
2647 1 7 . 1 1 17 17 ALA CB C 17 17.530 17.530 19.016 -1.486 18088
2648 1 7 . 1 1 17 17 ALA H H 17 8.180 8.180 7.429 0.751 18088
2649 1 7 . 1 1 18 18 HIS N N 18 112.580 112.580 114.626 -2.046 18088
2650 1 7 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.599 -0.219 18088
2651 1 7 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.057 2.373 18088
2652 1 7 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.847 0.103 18088
2653 1 7 . 1 1 18 18 HIS H H 18 7.410 7.410 7.599 -0.189 18088
2654 1 7 . 1 1 19 19 SER HA H 19 4.100 4.100 4.193 -0.093 18088
2655 1 7 . 1 1 19 19 SER CA C 19 60.250 60.250 58.703 1.547 18088
2656 1 7 . 1 1 19 19 SER CB C 19 61.700 61.700 63.262 -1.562 18088
2657 1 7 . 1 1 20 20 GLY N N 20 106.830 106.830 114.758 -7.928 18088
2658 1 7 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.399 -0.249 18088
2659 1 7 . 1 1 20 20 GLY H H 20 8.260 8.260 8.551 -0.291 18088
2660 1 7 . 1 1 21 21 LYS N N 21 120.310 120.310 122.276 -1.966 18088
2661 1 7 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.506 -0.536 18088
2662 1 7 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.567 1.933 18088
2663 1 7 . 1 1 21 21 LYS CB C 21 32.700 32.700 33.220 -0.520 18088
2664 1 7 . 1 1 21 21 LYS H H 21 7.670 7.670 8.410 -0.740 18088
2665 1 7 . 1 1 22 22 GLU N N 22 117.240 117.240 119.737 -2.497 18088
2666 1 7 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.210 0.220 18088
2667 1 7 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.674 -2.354 18088
2668 1 7 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.005 1.145 18088
2669 1 7 . 1 1 22 22 GLU H H 22 7.870 7.870 8.592 -0.722 18088
2670 1 7 . 1 1 23 23 GLY N N 23 107.910 107.910 106.195 1.715 18088
2671 1 7 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.912 0.948 18088
2672 1 7 . 1 1 23 23 GLY H H 23 8.110 8.110 8.401 -0.291 18088
2673 1 7 . 1 1 24 24 ASP N N 24 122.900 122.900 121.907 0.993 18088
2674 1 7 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.003 -0.453 18088
2675 1 7 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.257 0.233 18088
2676 1 7 . 1 1 24 24 ASP CB C 24 42.360 42.360 40.783 1.577 18088
2677 1 7 . 1 1 24 24 ASP H H 24 8.180 8.180 8.093 0.087 18088
2678 1 7 . 1 1 25 25 LYS N N 25 124.810 124.810 122.910 1.900 18088
2679 1 7 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.092 -0.002 18088
2680 1 7 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.270 -1.890 18088
2681 1 7 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.652 -0.702 18088
2682 1 7 . 1 1 25 25 LYS H H 25 8.440 8.440 8.628 -0.188 18088
2683 1 7 . 1 1 26 26 TYR N N 26 117.200 117.200 114.819 2.381 18088
2684 1 7 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.390 0.730 18088
2685 1 7 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.835 -2.485 18088
2686 1 7 . 1 1 26 26 TYR CB C 26 37.670 37.670 37.594 0.076 18088
2687 1 7 . 1 1 26 26 TYR H H 26 8.490 8.490 8.474 0.016 18088
2688 1 7 . 1 1 27 27 LYS N N 27 118.320 118.320 116.081 2.239 18088
2689 1 7 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.965 0.515 18088
2690 1 7 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.825 -0.066 18088
2691 1 7 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.734 0.686 18088
2692 1 7 . 1 1 27 27 LYS H H 27 7.870 7.870 7.858 0.012 18088
2693 1 7 . 1 1 28 28 LEU N N 28 121.530 121.530 120.551 0.979 18088
2694 1 7 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.671 0.049 18088
2695 1 7 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.505 -1.785 18088
2696 1 7 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.725 0.655 18088
2697 1 7 . 1 1 28 28 LEU H H 28 8.840 8.840 8.075 0.765 18088
2698 1 7 . 1 1 29 29 SER N N 29 120.620 120.620 116.413 4.207 18088
2699 1 7 . 1 1 29 29 SER HA H 29 5.040 5.040 4.638 0.402 18088
2700 1 7 . 1 1 29 29 SER CA C 29 57.850 57.850 58.642 -0.792 18088
2701 1 7 . 1 1 29 29 SER CB C 29 64.240 64.240 64.292 -0.052 18088
2702 1 7 . 1 1 29 29 SER H H 29 8.940 8.940 8.645 0.295 18088
2703 1 7 . 1 1 30 30 LYS N N 30 124.390 124.390 122.095 2.295 18088
2704 1 7 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.149 -0.289 18088
2705 1 7 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.950 1.510 18088
2706 1 7 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.709 -0.889 18088
2707 1 7 . 1 1 30 30 LYS H H 30 8.810 8.810 8.885 -0.075 18088
2708 1 7 . 1 1 31 31 LYS N N 31 120.250 120.250 119.366 0.884 18088
2709 1 7 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.987 0.183 18088
2710 1 7 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.220 0.070 18088
2711 1 7 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.336 1.134 18088
2712 1 7 . 1 1 31 31 LYS H H 31 8.740 8.740 7.641 1.099 18088
2713 1 7 . 1 1 32 32 GLU N N 32 121.570 121.570 119.328 2.242 18088
2714 1 7 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.148 -0.068 18088
2715 1 7 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.396 -0.116 18088
2716 1 7 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.756 0.484 18088
2717 1 7 . 1 1 32 32 GLU H H 32 7.790 7.790 8.331 -0.541 18088
2718 1 7 . 1 1 33 33 LEU N N 33 121.720 121.720 121.819 -0.099 18088
2719 1 7 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.134 -0.134 18088
2720 1 7 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.328 -0.138 18088
2721 1 7 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.078 -1.598 18088
2722 1 7 . 1 1 33 33 LEU H H 33 8.890 8.890 8.005 0.885 18088
2723 1 7 . 1 1 34 34 LYS N N 34 120.420 120.420 119.519 0.901 18088
2724 1 7 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.896 -0.276 18088
2725 1 7 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.402 0.438 18088
2726 1 7 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.265 -0.515 18088
2727 1 7 . 1 1 34 34 LYS H H 34 8.420 8.420 8.014 0.406 18088
2728 1 7 . 1 1 35 35 GLU N N 35 117.260 117.260 117.974 -0.714 18088
2729 1 7 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.130 -0.060 18088
2730 1 7 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.208 1.042 18088
2731 1 7 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.836 -0.786 18088
2732 1 7 . 1 1 35 35 GLU H H 35 7.220 7.220 7.498 -0.278 18088
2733 1 7 . 1 1 36 36 LEU N N 36 122.740 122.740 121.736 1.004 18088
2734 1 7 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.927 -0.197 18088
2735 1 7 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.067 1.153 18088
2736 1 7 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.471 0.729 18088
2737 1 7 . 1 1 36 36 LEU H H 36 8.330 8.330 7.429 0.901 18088
2738 1 7 . 1 1 37 37 LEU N N 37 120.360 120.360 115.302 5.058 18088
2739 1 7 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.275 -0.595 18088
2740 1 7 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.920 0.350 18088
2741 1 7 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.177 0.323 18088
2742 1 7 . 1 1 37 37 LEU H H 37 8.790 8.790 7.611 1.179 18088
2743 1 7 . 1 1 38 38 GLN N N 38 113.560 113.560 117.940 -4.380 18088
2744 1 7 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.046 -0.326 18088
2745 1 7 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.409 0.271 18088
2746 1 7 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.278 0.482 18088
2747 1 7 . 1 1 38 38 GLN H H 38 8.100 8.100 7.867 0.233 18088
2748 1 7 . 1 1 39 39 THR N N 39 109.810 109.810 115.343 -5.533 18088
2749 1 7 . 1 1 39 39 THR HA H 39 4.280 4.280 4.209 0.071 18088
2750 1 7 . 1 1 39 39 THR CA C 39 64.510 64.510 65.371 -0.861 18088
2751 1 7 . 1 1 39 39 THR CB C 39 69.740 69.740 69.010 0.730 18088
2752 1 7 . 1 1 39 39 THR H H 39 7.690 7.690 7.687 0.003 18088
2753 1 7 . 1 1 40 40 GLU N N 40 118.480 118.480 121.335 -2.855 18088
2754 1 7 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.266 0.464 18088
2755 1 7 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.529 -1.839 18088
2756 1 7 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.932 0.158 18088
2757 1 7 . 1 1 40 40 GLU H H 40 9.000 9.000 7.744 1.256 18088
2758 1 7 . 1 1 41 41 LEU N N 41 120.000 120.000 120.535 -0.535 18088
2759 1 7 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.608 0.542 18088
2760 1 7 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.973 -0.733 18088
2761 1 7 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.575 0.675 18088
2762 1 7 . 1 1 41 41 LEU H H 41 7.890 7.890 8.182 -0.292 18088
2763 1 7 . 1 1 42 42 SER N N 42 112.560 112.560 116.910 -4.350 18088
2764 1 7 . 1 1 42 42 SER HA H 42 3.840 3.840 4.377 -0.537 18088
2765 1 7 . 1 1 42 42 SER CA C 42 61.610 61.610 60.255 1.355 18088
2766 1 7 . 1 1 42 42 SER CB C 42 62.780 62.780 63.038 -0.258 18088
2767 1 7 . 1 1 42 42 SER H H 42 6.890 6.890 7.631 -0.741 18088
2768 1 7 . 1 1 43 43 GLY N N 43 114.540 114.540 109.847 4.693 18088
2769 1 7 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.261 -0.601 18088
2770 1 7 . 1 1 43 43 GLY H H 43 9.310 9.310 7.995 1.315 18088
2771 1 7 . 1 1 44 44 PHE N N 44 125.000 125.000 119.185 5.815 18088
2772 1 7 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.473 0.107 18088
2773 1 7 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.881 -2.271 18088
2774 1 7 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.855 -2.396 18088
2775 1 7 . 1 1 44 44 PHE H H 44 8.400 8.400 7.577 0.823 18088
2776 1 7 . 1 1 45 45 LEU N N 45 116.880 116.880 120.669 -3.789 18088
2777 1 7 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.031 -0.521 18088
2778 1 7 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.585 -0.345 18088
2779 1 7 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.747 -0.227 18088
2780 1 7 . 1 1 45 45 LEU H H 45 8.550 8.550 7.775 0.775 18088
2781 1 7 . 1 1 46 46 ASP N N 46 119.260 119.260 121.280 -2.020 18088
2782 1 7 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.447 0.273 18088
2783 1 7 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.813 -1.683 18088
2784 1 7 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.232 1.228 18088
2785 1 7 . 1 1 46 46 ASP H H 46 7.460 7.460 8.119 -0.659 18088
2786 1 7 . 1 1 47 47 ALA N N 47 124.850 124.850 121.644 3.206 18088
2787 1 7 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.321 0.219 18088
2788 1 7 . 1 1 47 47 ALA CA C 47 50.690 50.690 52.126 -1.436 18088
2789 1 7 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.746 1.044 18088
2790 1 7 . 1 1 47 47 ALA H H 47 7.620 7.620 7.504 0.116 18088
2791 1 7 . 1 1 48 48 GLN N N 48 116.830 116.830 116.958 -0.128 18088
2792 1 7 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.328 -0.528 18088
2793 1 7 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.793 0.357 18088
2794 1 7 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.265 0.545 18088
2795 1 7 . 1 1 48 48 GLN H H 48 7.740 7.740 7.134 0.606 18088
2796 1 7 . 1 1 49 49 LYS N N 49 121.570 121.570 120.841 0.729 18088
2797 1 7 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.467 -0.347 18088
2798 1 7 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.760 -0.930 18088
2799 1 7 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.492 -3.442 18088
2800 1 7 . 1 1 49 49 LYS H H 49 7.790 7.790 8.294 -0.504 18088
2801 1 7 . 1 1 50 50 ASP N N 50 118.910 118.910 123.043 -4.133 18088
2802 1 7 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.662 0.028 18088
2803 1 7 . 1 1 50 50 ASP CA C 50 51.830 51.830 54.218 -2.388 18088
2804 1 7 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.363 0.587 18088
2805 1 7 . 1 1 50 50 ASP H H 50 7.480 7.480 8.397 -0.917 18088
2806 1 7 . 1 1 51 51 VAL N N 51 122.060 122.060 122.796 -0.736 18088
2807 1 7 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.681 0.219 18088
2808 1 7 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.210 -0.480 18088
2809 1 7 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.300 0.650 18088
2810 1 7 . 1 1 51 51 VAL H H 51 7.820 7.820 8.804 -0.984 18088
2811 1 7 . 1 1 52 52 ASP N N 52 120.090 120.090 120.422 -0.332 18088
2812 1 7 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.528 -0.148 18088
2813 1 7 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.193 0.067 18088
2814 1 7 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.246 0.334 18088
2815 1 7 . 1 1 52 52 ASP H H 52 8.190 8.190 7.902 0.288 18088
2816 1 7 . 1 1 53 53 ALA N N 53 122.110 122.110 123.314 -1.204 18088
2817 1 7 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.157 -0.117 18088
2818 1 7 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.949 -0.349 18088
2819 1 7 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.318 0.362 18088
2820 1 7 . 1 1 53 53 ALA H H 53 7.620 7.620 7.633 -0.013 18088
2821 1 7 . 1 1 54 54 VAL N N 54 118.070 118.070 117.264 0.806 18088
2822 1 7 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.606 -0.186 18088
2823 1 7 . 1 1 54 54 VAL CA C 54 66.340 66.340 65.943 0.397 18088
2824 1 7 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.673 0.337 18088
2825 1 7 . 1 1 54 54 VAL H H 54 7.380 7.380 7.627 -0.247 18088
2826 1 7 . 1 1 55 55 ASP N N 55 119.590 119.590 118.133 1.457 18088
2827 1 7 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.538 -0.228 18088
2828 1 7 . 1 1 55 55 ASP CA C 55 57.370 57.370 55.795 1.575 18088
2829 1 7 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.816 0.144 18088
2830 1 7 . 1 1 55 55 ASP H H 55 8.500 8.500 7.713 0.787 18088
2831 1 7 . 1 1 56 56 LYS N N 56 118.010 118.010 120.909 -2.899 18088
2832 1 7 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.093 -0.153 18088
2833 1 7 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.449 0.311 18088
2834 1 7 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.556 -0.046 18088
2835 1 7 . 1 1 56 56 LYS H H 56 7.970 7.970 7.713 0.257 18088
2836 1 7 . 1 1 57 57 VAL N N 57 119.390 119.390 120.034 -0.644 18088
2837 1 7 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.916 -0.206 18088
2838 1 7 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.394 0.646 18088
2839 1 7 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.604 0.496 18088
2840 1 7 . 1 1 57 57 VAL H H 57 7.310 7.310 7.699 -0.389 18088
2841 1 7 . 1 1 58 58 MET N N 58 116.040 116.040 116.731 -0.691 18088
2842 1 7 . 1 1 58 58 MET HA H 58 4.120 4.120 4.135 -0.015 18088
2843 1 7 . 1 1 58 58 MET CA C 58 57.430 57.430 58.188 -0.757 18088
2844 1 7 . 1 1 58 58 MET CB C 58 31.260 31.260 31.345 -0.085 18088
2845 1 7 . 1 1 58 58 MET H H 58 8.370 8.370 7.598 0.772 18088
2846 1 7 . 1 1 59 59 LYS N N 59 118.900 118.900 119.439 -0.539 18088
2847 1 7 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.107 -0.037 18088
2848 1 7 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.975 0.155 18088
2849 1 7 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.174 0.216 18088
2850 1 7 . 1 1 59 59 LYS H H 59 8.600 8.600 7.801 0.799 18088
2851 1 7 . 1 1 60 60 GLU N N 60 119.880 119.880 120.053 -0.173 18088
2852 1 7 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.023 0.017 18088
2853 1 7 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.438 0.092 18088
2854 1 7 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.646 -1.096 18088
2855 1 7 . 1 1 60 60 GLU H H 60 7.430 7.430 7.769 -0.339 18088
2856 1 7 . 1 1 61 61 LEU N N 61 116.900 116.900 117.422 -0.522 18088
2857 1 7 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.019 -0.079 18088
2858 1 7 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.604 -0.394 18088
2859 1 7 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.253 -0.723 18088
2860 1 7 . 1 1 61 61 LEU H H 61 7.600 7.600 7.502 0.098 18088
2861 1 7 . 1 1 62 62 ASP N N 62 115.990 115.990 118.519 -2.529 18088
2862 1 7 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.263 0.207 18088
2863 1 7 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.003 -0.883 18088
2864 1 7 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.817 0.713 18088
2865 1 7 . 1 1 62 62 ASP H H 62 7.590 7.590 7.698 -0.108 18088
2866 1 7 . 1 1 63 63 GLU N N 63 118.920 118.920 116.683 2.237 18088
2867 1 7 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.257 -0.147 18088
2868 1 7 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.069 -0.039 18088
2869 1 7 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.619 0.381 18088
2870 1 7 . 1 1 63 63 GLU H H 63 8.120 8.120 7.678 0.442 18088
2871 1 7 . 1 1 64 64 ASN N N 64 117.750 117.750 118.040 -0.290 18088
2872 1 7 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.853 0.317 18088
2873 1 7 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.369 -1.499 18088
2874 1 7 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.411 0.199 18088
2875 1 7 . 1 1 64 64 ASN H H 64 7.730 7.730 7.689 0.041 18088
2876 1 7 . 1 1 65 65 GLY N N 65 107.100 107.100 109.777 -2.677 18088
2877 1 7 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.199 0.681 18088
2878 1 7 . 1 1 65 65 GLY H H 65 7.750 7.750 8.142 -0.392 18088
2879 1 7 . 1 1 66 66 ASP N N 66 115.630 115.630 120.440 -4.810 18088
2880 1 7 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.708 0.122 18088
2881 1 7 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.000 0.050 18088
2882 1 7 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.569 -0.009 18088
2883 1 7 . 1 1 66 66 ASP H H 66 8.320 8.320 8.060 0.260 18088
2884 1 7 . 1 1 67 67 GLY N N 67 109.240 109.240 107.856 1.384 18088
2885 1 7 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.035 -0.245 18088
2886 1 7 . 1 1 67 67 GLY H H 67 8.260 8.260 8.079 0.181 18088
2887 1 7 . 1 1 68 68 GLU N N 68 117.540 117.540 117.571 -0.031 18088
2888 1 7 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.662 0.588 18088
2889 1 7 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.790 -0.820 18088
2890 1 7 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.927 -0.037 18088
2891 1 7 . 1 1 68 68 GLU H H 68 8.500 8.500 8.179 0.321 18088
2892 1 7 . 1 1 69 69 VAL N N 69 115.550 115.550 117.513 -1.963 18088
2893 1 7 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.611 0.349 18088
2894 1 7 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.680 -0.610 18088
2895 1 7 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.354 -0.344 18088
2896 1 7 . 1 1 69 69 VAL H H 69 9.190 9.190 8.746 0.444 18088
2897 1 7 . 1 1 70 70 ASP N N 70 121.130 121.130 119.482 1.648 18088
2898 1 7 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.062 0.498 18088
2899 1 7 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.939 -1.939 18088
2900 1 7 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.038 0.632 18088
2901 1 7 . 1 1 70 70 ASP H H 70 8.320 8.320 8.181 0.139 18088
2902 1 7 . 1 1 71 71 PHE N N 71 119.290 119.290 120.037 -0.747 18088
2903 1 7 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.092 -0.622 18088
2904 1 7 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.492 -0.032 18088
2905 1 7 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.331 0.899 18088
2906 1 7 . 1 1 71 71 PHE H H 71 9.480 9.480 8.500 0.980 18088
2907 1 7 . 1 1 72 72 GLN N N 72 116.810 116.810 118.729 -1.919 18088
2908 1 7 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.859 -0.449 18088
2909 1 7 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.513 1.137 18088
2910 1 7 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.137 0.593 18088
2911 1 7 . 1 1 72 72 GLN H H 72 8.140 8.140 8.669 -0.529 18088
2912 1 7 . 1 1 73 73 GLU N N 73 119.590 119.590 118.872 0.718 18088
2913 1 7 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.045 -0.085 18088
2914 1 7 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.955 0.175 18088
2915 1 7 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.352 0.838 18088
2916 1 7 . 1 1 73 73 GLU H H 73 8.260 8.260 8.389 -0.129 18088
2917 1 7 . 1 1 74 74 TYR N N 74 122.520 122.520 121.370 1.150 18088
2918 1 7 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.074 0.256 18088
2919 1 7 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.260 -1.139 18088
2920 1 7 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.419 -1.709 18088
2921 1 7 . 1 1 74 74 TYR H H 74 8.240 8.240 7.709 0.531 18088
2922 1 7 . 1 1 75 75 VAL N N 75 120.300 120.300 116.446 3.854 18088
2923 1 7 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.194 -0.544 18088
2924 1 7 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.424 0.456 18088
2925 1 7 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.887 -0.457 18088
2926 1 7 . 1 1 75 75 VAL H H 75 7.980 7.980 8.000 -0.020 18088
2927 1 7 . 1 1 76 76 VAL N N 76 119.180 119.180 120.001 -0.821 18088
2928 1 7 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.670 -0.340 18088
2929 1 7 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.814 0.836 18088
2930 1 7 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.478 0.112 18088
2931 1 7 . 1 1 76 76 VAL H H 76 7.560 7.560 7.851 -0.291 18088
2932 1 7 . 1 1 77 77 LEU N N 77 121.440 121.440 120.420 1.020 18088
2933 1 7 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.012 0.128 18088
2934 1 7 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.964 0.216 18088
2935 1 7 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.730 0.220 18088
2936 1 7 . 1 1 77 77 LEU H H 77 7.740 7.740 7.404 0.336 18088
2937 1 7 . 1 1 78 78 VAL N N 78 119.220 119.220 114.975 4.245 18088
2938 1 7 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.372 0.068 18088
2939 1 7 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.781 1.349 18088
2940 1 7 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.064 0.246 18088
2941 1 7 . 1 1 78 78 VAL H H 78 8.320 8.320 7.338 0.982 18088
2942 1 7 . 1 1 79 79 ALA N N 79 124.780 124.780 121.632 3.148 18088
2943 1 7 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.058 -0.048 18088
2944 1 7 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.879 1.981 18088
2945 1 7 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.513 -0.553 18088
2946 1 7 . 1 1 79 79 ALA H H 79 9.000 9.000 7.370 1.630 18088
2947 1 7 . 1 1 80 80 ALA N N 80 121.760 121.760 121.203 0.557 18088
2948 1 7 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.919 0.001 18088
2949 1 7 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.591 0.579 18088
2950 1 7 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.129 -0.649 18088
2951 1 7 . 1 1 80 80 ALA H H 80 8.240 8.240 7.485 0.755 18088
2952 1 7 . 1 1 81 81 LEU N N 81 118.310 118.310 117.482 0.828 18088
2953 1 7 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.091 -0.441 18088
2954 1 7 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.277 0.033 18088
2955 1 7 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.080 -1.430 18088
2956 1 7 . 1 1 81 81 LEU H H 81 7.920 7.920 7.411 0.509 18088
2957 1 7 . 1 1 82 82 THR N N 82 116.240 116.240 116.804 -0.564 18088
2958 1 7 . 1 1 82 82 THR HA H 82 3.710 3.710 3.988 -0.278 18088
2959 1 7 . 1 1 82 82 THR CA C 82 68.770 68.770 66.770 2.000 18088
2960 1 7 . 1 1 82 82 THR CB C 82 67.420 67.420 68.782 -1.363 18088
2961 1 7 . 1 1 82 82 THR H H 82 8.120 8.120 7.531 0.589 18088
2962 1 7 . 1 1 83 83 VAL N N 83 120.000 120.000 113.227 6.773 18088
2963 1 7 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.468 -0.438 18088
2964 1 7 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.907 3.043 18088
2965 1 7 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.278 -0.428 18088
2966 1 7 . 1 1 83 83 VAL H H 83 7.780 7.780 7.413 0.367 18088
2967 1 7 . 1 1 87 87 ASN N N 87 124.810 124.810 117.833 6.977 18088
2968 1 7 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.322 -0.092 18088
2969 1 7 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.261 1.769 18088
2970 1 7 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.371 -0.101 18088
2971 1 7 . 1 1 87 87 ASN H H 87 9.130 9.130 7.779 1.351 18088
2972 1 7 . 1 1 88 88 PHE N N 88 120.680 120.680 116.957 3.723 18088
2973 1 7 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.078 0.012 18088
2974 1 7 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.452 1.378 18088
2975 1 7 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.019 0.291 18088
2976 1 7 . 1 1 88 88 PHE H H 88 8.650 8.650 7.547 1.103 18088
2977 1 7 . 1 1 89 89 PHE N N 89 112.580 112.580 115.210 -2.630 18088
2978 1 7 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.674 -0.874 18088
2979 1 7 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.882 1.028 18088
2980 1 7 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.868 -1.988 18088
2981 1 7 . 1 1 89 89 PHE H H 89 7.410 7.410 7.357 0.053 18088
2982 1 7 . 1 1 90 90 TRP N N 90 118.690 118.690 121.408 -2.718 18088
2983 1 7 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.689 -0.099 18088
2984 1 7 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.166 0.134 18088
2985 1 7 . 1 1 90 90 TRP CB C 90 31.180 31.180 28.230 2.950 18088
2986 1 7 . 1 1 90 90 TRP H H 90 7.370 7.370 7.862 -0.492 18088
2987 1 7 . 1 1 91 91 GLU N N 91 121.380 121.380 119.727 1.653 18088
2988 1 7 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.412 -0.072 18088
2989 1 7 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.042 0.428 18088
2990 1 7 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.848 -0.417 18088
2991 1 7 . 1 1 91 91 GLU H H 91 7.820 7.820 7.344 0.476 18088
2992 1 7 . 1 1 92 92 ASN N N 92 120.640 120.640 124.250 -3.610 18088
2993 1 7 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.638 0.162 18088
2994 1 7 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.446 0.094 18088
2995 1 7 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.991 -0.011 18088
2996 1 7 . 1 1 92 92 ASN H H 92 8.560 8.560 8.589 -0.029 18088
2997 1 8 . 1 1 2 2 SER N N 2 118.720 118.720 116.737 1.983 18088
2998 1 8 . 1 1 2 2 SER HA H 2 4.690 4.690 4.522 0.168 18088
2999 1 8 . 1 1 2 2 SER CA C 2 57.270 57.270 56.740 0.530 18088
3000 1 8 . 1 1 2 2 SER CB C 2 65.140 65.140 64.808 0.332 18088
3001 1 8 . 1 1 2 2 SER H H 2 9.270 9.270 8.163 1.107 18088
3002 1 8 . 1 1 3 3 GLU N N 3 122.920 122.920 122.969 -0.049 18088
3003 1 8 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.107 0.013 18088
3004 1 8 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.533 0.957 18088
3005 1 8 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.480 -0.510 18088
3006 1 8 . 1 1 3 3 GLU H H 3 9.260 9.260 8.840 0.420 18088
3007 1 8 . 1 1 4 4 LEU N N 4 121.140 121.140 115.182 5.958 18088
3008 1 8 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.148 -0.108 18088
3009 1 8 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.711 0.349 18088
3010 1 8 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.153 1.037 18088
3011 1 8 . 1 1 4 4 LEU H H 4 8.920 8.920 7.952 0.968 18088
3012 1 8 . 1 1 5 5 GLU N N 5 118.710 118.710 119.565 -0.855 18088
3013 1 8 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.096 -0.816 18088
3014 1 8 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.132 0.538 18088
3015 1 8 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.401 -0.251 18088
3016 1 8 . 1 1 5 5 GLU H H 5 7.880 7.880 7.584 0.296 18088
3017 1 8 . 1 1 6 6 THR N N 6 116.050 116.050 115.719 0.331 18088
3018 1 8 . 1 1 6 6 THR HA H 6 4.020 4.020 4.053 -0.033 18088
3019 1 8 . 1 1 6 6 THR CA C 6 66.580 66.580 65.832 0.748 18088
3020 1 8 . 1 1 6 6 THR CB C 6 68.620 68.620 68.417 0.203 18088
3021 1 8 . 1 1 6 6 THR H H 6 8.440 8.440 7.598 0.842 18088
3022 1 8 . 1 1 7 7 ALA N N 7 125.840 125.840 125.231 0.609 18088
3023 1 8 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.118 0.162 18088
3024 1 8 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.016 0.584 18088
3025 1 8 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.210 -0.140 18088
3026 1 8 . 1 1 7 7 ALA H H 7 8.320 8.320 7.672 0.648 18088
3027 1 8 . 1 1 8 8 MET N N 8 115.330 115.330 117.679 -2.349 18088
3028 1 8 . 1 1 8 8 MET HA H 8 4.860 4.860 4.214 0.646 18088
3029 1 8 . 1 1 8 8 MET CA C 8 56.510 56.510 57.498 -0.988 18088
3030 1 8 . 1 1 8 8 MET CB C 8 28.930 28.930 31.366 -2.436 18088
3031 1 8 . 1 1 8 8 MET H H 8 8.150 8.150 7.654 0.496 18088
3032 1 8 . 1 1 9 9 GLU N N 9 120.410 120.410 118.542 1.868 18088
3033 1 8 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.077 0.083 18088
3034 1 8 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.703 0.247 18088
3035 1 8 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.289 -0.469 18088
3036 1 8 . 1 1 9 9 GLU H H 9 8.760 8.760 7.844 0.916 18088
3037 1 8 . 1 1 10 10 THR N N 10 118.820 118.820 113.292 5.528 18088
3038 1 8 . 1 1 10 10 THR HA H 10 4.130 4.130 4.371 -0.241 18088
3039 1 8 . 1 1 10 10 THR CA C 10 67.180 67.180 64.954 2.226 18088
3040 1 8 . 1 1 10 10 THR CB C 10 67.770 67.770 68.701 -0.931 18088
3041 1 8 . 1 1 10 10 THR H H 10 8.510 8.510 7.969 0.541 18088
3042 1 8 . 1 1 11 11 LEU N N 11 121.840 121.840 122.800 -0.960 18088
3043 1 8 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.288 -0.208 18088
3044 1 8 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.291 1.959 18088
3045 1 8 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.127 0.773 18088
3046 1 8 . 1 1 11 11 LEU H H 11 8.380 8.380 7.724 0.656 18088
3047 1 8 . 1 1 12 12 ILE N N 12 121.310 121.310 118.470 2.840 18088
3048 1 8 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.747 -0.207 18088
3049 1 8 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.524 0.596 18088
3050 1 8 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.167 1.173 18088
3051 1 8 . 1 1 12 12 ILE H H 12 8.520 8.520 7.905 0.615 18088
3052 1 8 . 1 1 13 13 ASN N N 13 120.570 120.570 118.360 2.210 18088
3053 1 8 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.451 -0.081 18088
3054 1 8 . 1 1 13 13 ASN CA C 13 56.540 56.540 55.970 0.570 18088
3055 1 8 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.516 -0.606 18088
3056 1 8 . 1 1 13 13 ASN H H 13 8.700 8.700 7.738 0.962 18088
3057 1 8 . 1 1 14 14 VAL N N 14 122.040 122.040 119.814 2.226 18088
3058 1 8 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.709 0.171 18088
3059 1 8 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.443 0.067 18088
3060 1 8 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.654 0.166 18088
3061 1 8 . 1 1 14 14 VAL H H 14 8.900 8.900 7.464 1.436 18088
3062 1 8 . 1 1 15 15 PHE N N 15 120.410 120.410 119.348 1.062 18088
3063 1 8 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.830 -0.250 18088
3064 1 8 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.414 0.966 18088
3065 1 8 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.280 0.150 18088
3066 1 8 . 1 1 15 15 PHE H H 15 7.490 7.490 7.377 0.113 18088
3067 1 8 . 1 1 16 16 HIS N N 16 118.200 118.200 116.629 1.571 18088
3068 1 8 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.374 0.846 18088
3069 1 8 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.921 -2.591 18088
3070 1 8 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.857 -0.677 18088
3071 1 8 . 1 1 16 16 HIS H H 16 9.280 9.280 8.117 1.163 18088
3072 1 8 . 1 1 17 17 ALA N N 17 121.060 121.060 121.456 -0.396 18088
3073 1 8 . 1 1 17 17 ALA HA H 17 3.830 3.830 4.036 -0.206 18088
3074 1 8 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.873 0.557 18088
3075 1 8 . 1 1 17 17 ALA CB C 17 17.530 17.530 19.049 -1.519 18088
3076 1 8 . 1 1 17 17 ALA H H 17 8.180 8.180 7.312 0.868 18088
3077 1 8 . 1 1 18 18 HIS N N 18 112.580 112.580 114.726 -2.146 18088
3078 1 8 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.628 -0.248 18088
3079 1 8 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.859 1.571 18088
3080 1 8 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.756 0.194 18088
3081 1 8 . 1 1 18 18 HIS H H 18 7.410 7.410 7.725 -0.315 18088
3082 1 8 . 1 1 19 19 SER HA H 19 4.100 4.100 4.007 0.093 18088
3083 1 8 . 1 1 19 19 SER CA C 19 60.250 60.250 59.844 0.406 18088
3084 1 8 . 1 1 19 19 SER CB C 19 61.700 61.700 63.766 -2.066 18088
3085 1 8 . 1 1 20 20 GLY N N 20 106.830 106.830 114.318 -7.488 18088
3086 1 8 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.403 -0.253 18088
3087 1 8 . 1 1 20 20 GLY H H 20 8.260 8.260 8.246 0.014 18088
3088 1 8 . 1 1 21 21 LYS N N 21 120.310 120.310 122.662 -2.352 18088
3089 1 8 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.368 -0.398 18088
3090 1 8 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.800 1.700 18088
3091 1 8 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.600 0.100 18088
3092 1 8 . 1 1 21 21 LYS H H 21 7.670 7.670 8.231 -0.561 18088
3093 1 8 . 1 1 22 22 GLU N N 22 117.240 117.240 121.026 -3.786 18088
3094 1 8 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.211 0.219 18088
3095 1 8 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.931 -2.611 18088
3096 1 8 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.944 1.206 18088
3097 1 8 . 1 1 22 22 GLU H H 22 7.870 7.870 8.546 -0.676 18088
3098 1 8 . 1 1 23 23 GLY N N 23 107.910 107.910 106.657 1.253 18088
3099 1 8 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.845 1.015 18088
3100 1 8 . 1 1 23 23 GLY H H 23 8.110 8.110 8.403 -0.293 18088
3101 1 8 . 1 1 24 24 ASP N N 24 122.900 122.900 121.282 1.618 18088
3102 1 8 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.920 -0.370 18088
3103 1 8 . 1 1 24 24 ASP CA C 24 53.490 53.490 52.193 1.297 18088
3104 1 8 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.018 0.342 18088
3105 1 8 . 1 1 24 24 ASP H H 24 8.180 8.180 7.984 0.196 18088
3106 1 8 . 1 1 25 25 LYS N N 25 124.810 124.810 125.614 -0.804 18088
3107 1 8 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.284 -0.194 18088
3108 1 8 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.227 -0.847 18088
3109 1 8 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.421 -0.471 18088
3110 1 8 . 1 1 25 25 LYS H H 25 8.440 8.440 8.796 -0.356 18088
3111 1 8 . 1 1 26 26 TYR N N 26 117.200 117.200 117.403 -0.203 18088
3112 1 8 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.323 0.797 18088
3113 1 8 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.483 -3.133 18088
3114 1 8 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.305 -0.635 18088
3115 1 8 . 1 1 26 26 TYR H H 26 8.490 8.490 8.581 -0.091 18088
3116 1 8 . 1 1 27 27 LYS N N 27 118.320 118.320 115.899 2.421 18088
3117 1 8 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.989 0.491 18088
3118 1 8 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.785 -0.025 18088
3119 1 8 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.467 0.953 18088
3120 1 8 . 1 1 27 27 LYS H H 27 7.870 7.870 7.537 0.333 18088
3121 1 8 . 1 1 28 28 LEU N N 28 121.530 121.530 122.177 -0.647 18088
3122 1 8 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.678 0.042 18088
3123 1 8 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.294 -1.574 18088
3124 1 8 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.666 0.714 18088
3125 1 8 . 1 1 28 28 LEU H H 28 8.840 8.840 8.060 0.780 18088
3126 1 8 . 1 1 29 29 SER N N 29 120.620 120.620 117.613 3.007 18088
3127 1 8 . 1 1 29 29 SER HA H 29 5.040 5.040 4.566 0.474 18088
3128 1 8 . 1 1 29 29 SER CA C 29 57.850 57.850 58.848 -0.998 18088
3129 1 8 . 1 1 29 29 SER CB C 29 64.240 64.240 63.711 0.529 18088
3130 1 8 . 1 1 29 29 SER H H 29 8.940 8.940 8.620 0.320 18088
3131 1 8 . 1 1 30 30 LYS N N 30 124.390 124.390 123.132 1.258 18088
3132 1 8 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.094 -0.234 18088
3133 1 8 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.087 1.373 18088
3134 1 8 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.776 -0.957 18088
3135 1 8 . 1 1 30 30 LYS H H 30 8.810 8.810 8.681 0.129 18088
3136 1 8 . 1 1 31 31 LYS N N 31 120.250 120.250 119.630 0.620 18088
3137 1 8 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.897 0.273 18088
3138 1 8 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.576 -0.286 18088
3139 1 8 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.719 0.751 18088
3140 1 8 . 1 1 31 31 LYS H H 31 8.740 8.740 7.548 1.192 18088
3141 1 8 . 1 1 32 32 GLU N N 32 121.570 121.570 119.411 2.159 18088
3142 1 8 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.103 -0.023 18088
3143 1 8 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.458 -0.178 18088
3144 1 8 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.099 0.141 18088
3145 1 8 . 1 1 32 32 GLU H H 32 7.790 7.790 8.580 -0.790 18088
3146 1 8 . 1 1 33 33 LEU N N 33 121.720 121.720 121.270 0.450 18088
3147 1 8 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.098 -0.098 18088
3148 1 8 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.155 0.035 18088
3149 1 8 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.188 -1.708 18088
3150 1 8 . 1 1 33 33 LEU H H 33 8.890 8.890 8.036 0.854 18088
3151 1 8 . 1 1 34 34 LYS N N 34 120.420 120.420 119.163 1.257 18088
3152 1 8 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.790 -0.170 18088
3153 1 8 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.431 0.409 18088
3154 1 8 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.051 -0.301 18088
3155 1 8 . 1 1 34 34 LYS H H 34 8.420 8.420 8.474 -0.054 18088
3156 1 8 . 1 1 35 35 GLU N N 35 117.260 117.260 118.223 -0.963 18088
3157 1 8 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.080 -0.010 18088
3158 1 8 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.822 0.428 18088
3159 1 8 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.743 -0.693 18088
3160 1 8 . 1 1 35 35 GLU H H 35 7.220 7.220 7.527 -0.307 18088
3161 1 8 . 1 1 36 36 LEU N N 36 122.740 122.740 121.058 1.682 18088
3162 1 8 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.888 -0.158 18088
3163 1 8 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.281 0.939 18088
3164 1 8 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.332 0.868 18088
3165 1 8 . 1 1 36 36 LEU H H 36 8.330 8.330 7.291 1.039 18088
3166 1 8 . 1 1 37 37 LEU N N 37 120.360 120.360 114.601 5.759 18088
3167 1 8 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.207 -0.527 18088
3168 1 8 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.849 0.421 18088
3169 1 8 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.227 0.273 18088
3170 1 8 . 1 1 37 37 LEU H H 37 8.790 8.790 7.668 1.122 18088
3171 1 8 . 1 1 38 38 GLN N N 38 113.560 113.560 117.814 -4.254 18088
3172 1 8 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.083 -0.363 18088
3173 1 8 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.277 0.403 18088
3174 1 8 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.666 0.094 18088
3175 1 8 . 1 1 38 38 GLN H H 38 8.100 8.100 7.807 0.293 18088
3176 1 8 . 1 1 39 39 THR N N 39 109.810 109.810 116.050 -6.240 18088
3177 1 8 . 1 1 39 39 THR HA H 39 4.280 4.280 4.140 0.140 18088
3178 1 8 . 1 1 39 39 THR CA C 39 64.510 64.510 66.194 -1.684 18088
3179 1 8 . 1 1 39 39 THR CB C 39 69.740 69.740 68.981 0.758 18088
3180 1 8 . 1 1 39 39 THR H H 39 7.690 7.690 7.991 -0.301 18088
3181 1 8 . 1 1 40 40 GLU N N 40 118.480 118.480 121.603 -3.123 18088
3182 1 8 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.215 0.515 18088
3183 1 8 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.746 -2.056 18088
3184 1 8 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.883 0.207 18088
3185 1 8 . 1 1 40 40 GLU H H 40 9.000 9.000 7.753 1.247 18088
3186 1 8 . 1 1 41 41 LEU N N 41 120.000 120.000 120.028 -0.028 18088
3187 1 8 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.604 0.546 18088
3188 1 8 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.198 -0.958 18088
3189 1 8 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.476 0.774 18088
3190 1 8 . 1 1 41 41 LEU H H 41 7.890 7.890 7.801 0.089 18088
3191 1 8 . 1 1 42 42 SER N N 42 112.560 112.560 117.299 -4.739 18088
3192 1 8 . 1 1 42 42 SER HA H 42 3.840 3.840 4.342 -0.502 18088
3193 1 8 . 1 1 42 42 SER CA C 42 61.610 61.610 60.761 0.849 18088
3194 1 8 . 1 1 42 42 SER CB C 42 62.780 62.780 62.781 -0.001 18088
3195 1 8 . 1 1 42 42 SER H H 42 6.890 6.890 7.739 -0.849 18088
3196 1 8 . 1 1 43 43 GLY N N 43 114.540 114.540 108.656 5.884 18088
3197 1 8 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.313 -0.653 18088
3198 1 8 . 1 1 43 43 GLY H H 43 9.310 9.310 8.016 1.294 18088
3199 1 8 . 1 1 44 44 PHE N N 44 125.000 125.000 118.260 6.740 18088
3200 1 8 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.500 0.080 18088
3201 1 8 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.614 -2.004 18088
3202 1 8 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.975 -2.515 18088
3203 1 8 . 1 1 44 44 PHE H H 44 8.400 8.400 7.730 0.670 18088
3204 1 8 . 1 1 45 45 LEU N N 45 116.880 116.880 119.539 -2.659 18088
3205 1 8 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.157 -0.647 18088
3206 1 8 . 1 1 45 45 LEU CA C 45 57.240 57.240 56.679 0.561 18088
3207 1 8 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.991 -0.471 18088
3208 1 8 . 1 1 45 45 LEU H H 45 8.550 8.550 7.832 0.718 18088
3209 1 8 . 1 1 46 46 ASP N N 46 119.260 119.260 120.572 -1.312 18088
3210 1 8 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.415 0.304 18088
3211 1 8 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.380 -1.250 18088
3212 1 8 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.734 0.726 18088
3213 1 8 . 1 1 46 46 ASP H H 46 7.460 7.460 7.878 -0.418 18088
3214 1 8 . 1 1 47 47 ALA N N 47 124.850 124.850 122.638 2.212 18088
3215 1 8 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.274 0.266 18088
3216 1 8 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.420 -0.731 18088
3217 1 8 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.492 1.298 18088
3218 1 8 . 1 1 47 47 ALA H H 47 7.620 7.620 7.841 -0.221 18088
3219 1 8 . 1 1 48 48 GLN N N 48 116.830 116.830 118.069 -1.239 18088
3220 1 8 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.231 -0.431 18088
3221 1 8 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.447 0.703 18088
3222 1 8 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.044 0.766 18088
3223 1 8 . 1 1 48 48 GLN H H 48 7.740 7.740 8.044 -0.304 18088
3224 1 8 . 1 1 49 49 LYS N N 49 121.570 121.570 123.876 -2.306 18088
3225 1 8 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.518 -0.398 18088
3226 1 8 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.816 -0.986 18088
3227 1 8 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.490 -3.440 18088
3228 1 8 . 1 1 49 49 LYS H H 49 7.790 7.790 8.418 -0.628 18088
3229 1 8 . 1 1 50 50 ASP N N 50 118.910 118.910 123.549 -4.639 18088
3230 1 8 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.710 -0.020 18088
3231 1 8 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.619 -1.789 18088
3232 1 8 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.200 0.750 18088
3233 1 8 . 1 1 50 50 ASP H H 50 7.480 7.480 8.084 -0.604 18088
3234 1 8 . 1 1 51 51 VAL N N 51 122.060 122.060 122.547 -0.487 18088
3235 1 8 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.556 0.344 18088
3236 1 8 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.370 -0.640 18088
3237 1 8 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.740 0.210 18088
3238 1 8 . 1 1 51 51 VAL H H 51 7.820 7.820 8.827 -1.007 18088
3239 1 8 . 1 1 52 52 ASP N N 52 120.090 120.090 120.531 -0.441 18088
3240 1 8 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.353 0.027 18088
3241 1 8 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.308 -0.048 18088
3242 1 8 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.054 0.526 18088
3243 1 8 . 1 1 52 52 ASP H H 52 8.190 8.190 7.953 0.237 18088
3244 1 8 . 1 1 53 53 ALA N N 53 122.110 122.110 122.431 -0.321 18088
3245 1 8 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.257 -0.217 18088
3246 1 8 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.963 -0.363 18088
3247 1 8 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.779 -0.099 18088
3248 1 8 . 1 1 53 53 ALA H H 53 7.620 7.620 8.256 -0.636 18088
3249 1 8 . 1 1 54 54 VAL N N 54 118.070 118.070 118.644 -0.574 18088
3250 1 8 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.593 -0.173 18088
3251 1 8 . 1 1 54 54 VAL CA C 54 66.340 66.340 67.229 -0.889 18088
3252 1 8 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.143 0.867 18088
3253 1 8 . 1 1 54 54 VAL H H 54 7.380 7.380 7.676 -0.296 18088
3254 1 8 . 1 1 55 55 ASP N N 55 119.590 119.590 119.129 0.461 18088
3255 1 8 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.448 -0.138 18088
3256 1 8 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.191 0.179 18088
3257 1 8 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.871 0.089 18088
3258 1 8 . 1 1 55 55 ASP H H 55 8.500 8.500 8.194 0.306 18088
3259 1 8 . 1 1 56 56 LYS N N 56 118.010 118.010 120.142 -2.132 18088
3260 1 8 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.983 -0.043 18088
3261 1 8 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.508 0.252 18088
3262 1 8 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.630 -0.120 18088
3263 1 8 . 1 1 56 56 LYS H H 56 7.970 7.970 7.602 0.368 18088
3264 1 8 . 1 1 57 57 VAL N N 57 119.390 119.390 119.662 -0.272 18088
3265 1 8 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.677 0.033 18088
3266 1 8 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.695 -0.656 18088
3267 1 8 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.450 0.650 18088
3268 1 8 . 1 1 57 57 VAL H H 57 7.310 7.310 8.417 -1.107 18088
3269 1 8 . 1 1 58 58 MET N N 58 116.040 116.040 116.776 -0.736 18088
3270 1 8 . 1 1 58 58 MET HA H 58 4.120 4.120 4.083 0.037 18088
3271 1 8 . 1 1 58 58 MET CA C 58 57.430 57.430 58.222 -0.792 18088
3272 1 8 . 1 1 58 58 MET CB C 58 31.260 31.260 31.456 -0.196 18088
3273 1 8 . 1 1 58 58 MET H H 58 8.370 8.370 7.829 0.541 18088
3274 1 8 . 1 1 59 59 LYS N N 59 118.900 118.900 118.646 0.254 18088
3275 1 8 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.028 0.042 18088
3276 1 8 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.871 0.259 18088
3277 1 8 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.296 0.094 18088
3278 1 8 . 1 1 59 59 LYS H H 59 8.600 8.600 8.248 0.352 18088
3279 1 8 . 1 1 60 60 GLU N N 60 119.880 119.880 119.698 0.182 18088
3280 1 8 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.106 -0.066 18088
3281 1 8 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.247 0.283 18088
3282 1 8 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.947 -1.397 18088
3283 1 8 . 1 1 60 60 GLU H H 60 7.430 7.430 7.962 -0.532 18088
3284 1 8 . 1 1 61 61 LEU N N 61 116.900 116.900 117.742 -0.842 18088
3285 1 8 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.145 -0.205 18088
3286 1 8 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.443 -0.233 18088
3287 1 8 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.813 -1.283 18088
3288 1 8 . 1 1 61 61 LEU H H 61 7.600 7.600 7.568 0.032 18088
3289 1 8 . 1 1 62 62 ASP N N 62 115.990 115.990 118.649 -2.659 18088
3290 1 8 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.265 0.205 18088
3291 1 8 . 1 1 62 62 ASP CA C 62 56.120 56.120 56.999 -0.879 18088
3292 1 8 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.883 0.647 18088
3293 1 8 . 1 1 62 62 ASP H H 62 7.590 7.590 7.993 -0.403 18088
3294 1 8 . 1 1 63 63 GLU N N 63 118.920 118.920 116.056 2.864 18088
3295 1 8 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.336 -0.226 18088
3296 1 8 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.793 0.237 18088
3297 1 8 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.840 0.160 18088
3298 1 8 . 1 1 63 63 GLU H H 63 8.120 8.120 7.926 0.194 18088
3299 1 8 . 1 1 64 64 ASN N N 64 117.750 117.750 118.067 -0.317 18088
3300 1 8 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.899 0.271 18088
3301 1 8 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.112 -1.242 18088
3302 1 8 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.435 0.175 18088
3303 1 8 . 1 1 64 64 ASN H H 64 7.730 7.730 7.574 0.156 18088
3304 1 8 . 1 1 65 65 GLY N N 65 107.100 107.100 110.258 -3.158 18088
3305 1 8 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.176 0.704 18088
3306 1 8 . 1 1 65 65 GLY H H 65 7.750 7.750 8.043 -0.293 18088
3307 1 8 . 1 1 66 66 ASP N N 66 115.630 115.630 120.148 -4.518 18088
3308 1 8 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.756 0.074 18088
3309 1 8 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.773 0.277 18088
3310 1 8 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.201 -0.641 18088
3311 1 8 . 1 1 66 66 ASP H H 66 8.320 8.320 8.241 0.079 18088
3312 1 8 . 1 1 67 67 GLY N N 67 109.240 109.240 108.364 0.876 18088
3313 1 8 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.972 -0.182 18088
3314 1 8 . 1 1 67 67 GLY H H 67 8.260 8.260 7.827 0.433 18088
3315 1 8 . 1 1 68 68 GLU N N 68 117.540 117.540 117.477 0.063 18088
3316 1 8 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.900 0.350 18088
3317 1 8 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.609 -0.639 18088
3318 1 8 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.875 0.015 18088
3319 1 8 . 1 1 68 68 GLU H H 68 8.500 8.500 8.267 0.233 18088
3320 1 8 . 1 1 69 69 VAL N N 69 115.550 115.550 119.654 -4.104 18088
3321 1 8 . 1 1 69 69 VAL HA H 69 4.960 4.960 5.175 -0.215 18088
3322 1 8 . 1 1 69 69 VAL CA C 69 59.070 59.070 58.994 0.076 18088
3323 1 8 . 1 1 69 69 VAL CB C 69 35.010 35.010 36.067 -1.057 18088
3324 1 8 . 1 1 69 69 VAL H H 69 9.190 9.190 8.703 0.487 18088
3325 1 8 . 1 1 70 70 ASP N N 70 121.130 121.130 120.333 0.797 18088
3326 1 8 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.008 0.552 18088
3327 1 8 . 1 1 70 70 ASP CA C 70 51.000 51.000 53.035 -2.035 18088
3328 1 8 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.598 0.072 18088
3329 1 8 . 1 1 70 70 ASP H H 70 8.320 8.320 8.101 0.219 18088
3330 1 8 . 1 1 71 71 PHE N N 71 119.290 119.290 120.854 -1.564 18088
3331 1 8 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.146 -0.676 18088
3332 1 8 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.597 -1.137 18088
3333 1 8 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.793 0.437 18088
3334 1 8 . 1 1 71 71 PHE H H 71 9.480 9.480 8.774 0.706 18088
3335 1 8 . 1 1 72 72 GLN N N 72 116.810 116.810 118.682 -1.872 18088
3336 1 8 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.864 -0.454 18088
3337 1 8 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.456 1.194 18088
3338 1 8 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.263 0.467 18088
3339 1 8 . 1 1 72 72 GLN H H 72 8.140 8.140 8.873 -0.733 18088
3340 1 8 . 1 1 73 73 GLU N N 73 119.590 119.590 118.692 0.898 18088
3341 1 8 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.019 -0.059 18088
3342 1 8 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.748 0.382 18088
3343 1 8 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.768 0.422 18088
3344 1 8 . 1 1 73 73 GLU H H 73 8.260 8.260 8.172 0.088 18088
3345 1 8 . 1 1 74 74 TYR N N 74 122.520 122.520 122.475 0.045 18088
3346 1 8 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.110 0.220 18088
3347 1 8 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.169 -1.049 18088
3348 1 8 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.425 -1.715 18088
3349 1 8 . 1 1 74 74 TYR H H 74 8.240 8.240 8.551 -0.311 18088
3350 1 8 . 1 1 75 75 VAL N N 75 120.300 120.300 117.816 2.484 18088
3351 1 8 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.228 -0.578 18088
3352 1 8 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.744 1.136 18088
3353 1 8 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.944 -0.513 18088
3354 1 8 . 1 1 75 75 VAL H H 75 7.980 7.980 8.107 -0.127 18088
3355 1 8 . 1 1 76 76 VAL N N 76 119.180 119.180 120.549 -1.369 18088
3356 1 8 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.597 -0.267 18088
3357 1 8 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.226 0.424 18088
3358 1 8 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.491 0.099 18088
3359 1 8 . 1 1 76 76 VAL H H 76 7.560 7.560 7.936 -0.376 18088
3360 1 8 . 1 1 77 77 LEU N N 77 121.440 121.440 119.858 1.582 18088
3361 1 8 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.952 0.188 18088
3362 1 8 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.179 0.001 18088
3363 1 8 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.590 0.360 18088
3364 1 8 . 1 1 77 77 LEU H H 77 7.740 7.740 7.312 0.428 18088
3365 1 8 . 1 1 78 78 VAL N N 78 119.220 119.220 115.033 4.187 18088
3366 1 8 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.461 -0.021 18088
3367 1 8 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.044 2.086 18088
3368 1 8 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.923 0.387 18088
3369 1 8 . 1 1 78 78 VAL H H 78 8.320 8.320 7.061 1.259 18088
3370 1 8 . 1 1 79 79 ALA N N 79 124.780 124.780 120.678 4.102 18088
3371 1 8 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.146 -0.136 18088
3372 1 8 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.761 2.099 18088
3373 1 8 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.279 -0.319 18088
3374 1 8 . 1 1 79 79 ALA H H 79 9.000 9.000 7.729 1.271 18088
3375 1 8 . 1 1 80 80 ALA N N 80 121.760 121.760 121.370 0.390 18088
3376 1 8 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.999 -0.079 18088
3377 1 8 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.561 0.609 18088
3378 1 8 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.262 -0.782 18088
3379 1 8 . 1 1 80 80 ALA H H 80 8.240 8.240 7.715 0.525 18088
3380 1 8 . 1 1 81 81 LEU N N 81 118.310 118.310 117.505 0.805 18088
3381 1 8 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.116 -0.466 18088
3382 1 8 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.386 -0.076 18088
3383 1 8 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.061 -1.411 18088
3384 1 8 . 1 1 81 81 LEU H H 81 7.920 7.920 7.471 0.449 18088
3385 1 8 . 1 1 82 82 THR N N 82 116.240 116.240 115.754 0.486 18088
3386 1 8 . 1 1 82 82 THR HA H 82 3.710 3.710 4.059 -0.349 18088
3387 1 8 . 1 1 82 82 THR CA C 82 68.770 68.770 66.767 2.003 18088
3388 1 8 . 1 1 82 82 THR CB C 82 67.420 67.420 68.807 -1.387 18088
3389 1 8 . 1 1 82 82 THR H H 82 8.120 8.120 7.720 0.400 18088
3390 1 8 . 1 1 83 83 VAL N N 83 120.000 120.000 112.549 7.451 18088
3391 1 8 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.639 -0.609 18088
3392 1 8 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.701 3.249 18088
3393 1 8 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.372 -0.522 18088
3394 1 8 . 1 1 83 83 VAL H H 83 7.780 7.780 7.278 0.502 18088
3395 1 8 . 1 1 87 87 ASN N N 87 124.810 124.810 117.631 7.179 18088
3396 1 8 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.219 0.011 18088
3397 1 8 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.767 2.263 18088
3398 1 8 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.093 0.177 18088
3399 1 8 . 1 1 87 87 ASN H H 87 9.130 9.130 7.714 1.416 18088
3400 1 8 . 1 1 88 88 PHE N N 88 120.680 120.680 114.158 6.522 18088
3401 1 8 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.085 0.005 18088
3402 1 8 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.676 1.153 18088
3403 1 8 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.773 0.537 18088
3404 1 8 . 1 1 88 88 PHE H H 88 8.650 8.650 7.782 0.868 18088
3405 1 8 . 1 1 89 89 PHE N N 89 112.580 112.580 114.739 -2.159 18088
3406 1 8 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.736 -0.936 18088
3407 1 8 . 1 1 89 89 PHE CA C 89 58.910 58.910 58.008 0.902 18088
3408 1 8 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.115 -2.235 18088
3409 1 8 . 1 1 89 89 PHE H H 89 7.410 7.410 7.637 -0.227 18088
3410 1 8 . 1 1 90 90 TRP N N 90 118.690 118.690 122.341 -3.651 18088
3411 1 8 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.697 -0.107 18088
3412 1 8 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.666 -0.366 18088
3413 1 8 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.637 3.543 18088
3414 1 8 . 1 1 90 90 TRP H H 90 7.370 7.370 8.311 -0.941 18088
3415 1 8 . 1 1 91 91 GLU N N 91 121.380 121.380 119.966 1.414 18088
3416 1 8 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.380 -0.040 18088
3417 1 8 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.154 0.316 18088
3418 1 8 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.859 -0.429 18088
3419 1 8 . 1 1 91 91 GLU H H 91 7.820 7.820 8.010 -0.190 18088
3420 1 8 . 1 1 92 92 ASN N N 92 120.640 120.640 122.610 -1.970 18088
3421 1 8 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.737 0.063 18088
3422 1 8 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.525 0.015 18088
3423 1 8 . 1 1 92 92 ASN CB C 92 38.980 38.980 39.068 -0.088 18088
3424 1 8 . 1 1 92 92 ASN H H 92 8.560 8.560 8.454 0.106 18088
3425 1 9 . 1 1 2 2 SER N N 2 118.720 118.720 116.564 2.156 18088
3426 1 9 . 1 1 2 2 SER HA H 2 4.690 4.690 4.503 0.187 18088
3427 1 9 . 1 1 2 2 SER CA C 2 57.270 57.270 57.591 -0.321 18088
3428 1 9 . 1 1 2 2 SER CB C 2 65.140 65.140 64.799 0.341 18088
3429 1 9 . 1 1 2 2 SER H H 2 9.270 9.270 8.707 0.563 18088
3430 1 9 . 1 1 3 3 GLU N N 3 122.920 122.920 121.689 1.231 18088
3431 1 9 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.051 0.069 18088
3432 1 9 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.272 1.218 18088
3433 1 9 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.512 -0.542 18088
3434 1 9 . 1 1 3 3 GLU H H 3 9.260 9.260 8.984 0.276 18088
3435 1 9 . 1 1 4 4 LEU N N 4 121.140 121.140 115.121 6.019 18088
3436 1 9 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.167 -0.127 18088
3437 1 9 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.490 0.570 18088
3438 1 9 . 1 1 4 4 LEU CB C 4 42.190 42.190 40.975 1.215 18088
3439 1 9 . 1 1 4 4 LEU H H 4 8.920 8.920 7.932 0.988 18088
3440 1 9 . 1 1 5 5 GLU N N 5 118.710 118.710 120.186 -1.476 18088
3441 1 9 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.937 -0.657 18088
3442 1 9 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.481 0.188 18088
3443 1 9 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.480 -0.331 18088
3444 1 9 . 1 1 5 5 GLU H H 5 7.880 7.880 7.724 0.156 18088
3445 1 9 . 1 1 6 6 THR N N 6 116.050 116.050 116.128 -0.078 18088
3446 1 9 . 1 1 6 6 THR HA H 6 4.020 4.020 4.029 -0.009 18088
3447 1 9 . 1 1 6 6 THR CA C 6 66.580 66.580 66.072 0.508 18088
3448 1 9 . 1 1 6 6 THR CB C 6 68.620 68.620 68.795 -0.175 18088
3449 1 9 . 1 1 6 6 THR H H 6 8.440 8.440 7.522 0.918 18088
3450 1 9 . 1 1 7 7 ALA N N 7 125.840 125.840 125.054 0.786 18088
3451 1 9 . 1 1 7 7 ALA HA H 7 4.280 4.280 3.999 0.281 18088
3452 1 9 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.270 0.330 18088
3453 1 9 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.355 -0.285 18088
3454 1 9 . 1 1 7 7 ALA H H 7 8.320 8.320 7.486 0.834 18088
3455 1 9 . 1 1 8 8 MET N N 8 115.330 115.330 116.639 -1.309 18088
3456 1 9 . 1 1 8 8 MET HA H 8 4.860 4.860 4.176 0.684 18088
3457 1 9 . 1 1 8 8 MET CA C 8 56.510 56.510 56.836 -0.326 18088
3458 1 9 . 1 1 8 8 MET CB C 8 28.930 28.930 30.675 -1.745 18088
3459 1 9 . 1 1 8 8 MET H H 8 8.150 8.150 7.846 0.304 18088
3460 1 9 . 1 1 9 9 GLU N N 9 120.410 120.410 119.241 1.169 18088
3461 1 9 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.017 0.143 18088
3462 1 9 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.456 0.494 18088
3463 1 9 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.630 -0.810 18088
3464 1 9 . 1 1 9 9 GLU H H 9 8.760 8.760 7.787 0.973 18088
3465 1 9 . 1 1 10 10 THR N N 10 118.820 118.820 112.731 6.089 18088
3466 1 9 . 1 1 10 10 THR HA H 10 4.130 4.130 4.144 -0.014 18088
3467 1 9 . 1 1 10 10 THR CA C 10 67.180 67.180 65.000 2.180 18088
3468 1 9 . 1 1 10 10 THR CB C 10 67.770 67.770 68.904 -1.134 18088
3469 1 9 . 1 1 10 10 THR H H 10 8.510 8.510 7.778 0.732 18088
3470 1 9 . 1 1 11 11 LEU N N 11 121.840 121.840 122.261 -0.421 18088
3471 1 9 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.291 -0.211 18088
3472 1 9 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.827 2.423 18088
3473 1 9 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.036 0.864 18088
3474 1 9 . 1 1 11 11 LEU H H 11 8.380 8.380 7.488 0.892 18088
3475 1 9 . 1 1 12 12 ILE N N 12 121.310 121.310 118.730 2.580 18088
3476 1 9 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.712 -0.172 18088
3477 1 9 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.726 0.394 18088
3478 1 9 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.217 1.123 18088
3479 1 9 . 1 1 12 12 ILE H H 12 8.520 8.520 7.649 0.871 18088
3480 1 9 . 1 1 13 13 ASN N N 13 120.570 120.570 117.484 3.086 18088
3481 1 9 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.447 -0.077 18088
3482 1 9 . 1 1 13 13 ASN CA C 13 56.540 56.540 55.935 0.605 18088
3483 1 9 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.166 -0.256 18088
3484 1 9 . 1 1 13 13 ASN H H 13 8.700 8.700 7.754 0.946 18088
3485 1 9 . 1 1 14 14 VAL N N 14 122.040 122.040 119.812 2.228 18088
3486 1 9 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.707 0.173 18088
3487 1 9 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.476 0.034 18088
3488 1 9 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.369 0.451 18088
3489 1 9 . 1 1 14 14 VAL H H 14 8.900 8.900 7.646 1.254 18088
3490 1 9 . 1 1 15 15 PHE N N 15 120.410 120.410 119.560 0.850 18088
3491 1 9 . 1 1 15 15 PHE HA H 15 3.580 3.580 4.010 -0.430 18088
3492 1 9 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.117 1.262 18088
3493 1 9 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.134 0.296 18088
3494 1 9 . 1 1 15 15 PHE H H 15 7.490 7.490 7.477 0.013 18088
3495 1 9 . 1 1 16 16 HIS N N 16 118.200 118.200 118.523 -0.323 18088
3496 1 9 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.452 0.768 18088
3497 1 9 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.689 -2.359 18088
3498 1 9 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.029 0.151 18088
3499 1 9 . 1 1 16 16 HIS H H 16 9.280 9.280 8.171 1.109 18088
3500 1 9 . 1 1 17 17 ALA N N 17 121.060 121.060 123.495 -2.435 18088
3501 1 9 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.803 0.027 18088
3502 1 9 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.208 0.222 18088
3503 1 9 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.254 -0.724 18088
3504 1 9 . 1 1 17 17 ALA H H 17 8.180 8.180 8.257 -0.077 18088
3505 1 9 . 1 1 18 18 HIS N N 18 112.580 112.580 112.301 0.279 18088
3506 1 9 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.603 -0.223 18088
3507 1 9 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.427 2.003 18088
3508 1 9 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.569 0.381 18088
3509 1 9 . 1 1 18 18 HIS H H 18 7.410 7.410 7.626 -0.216 18088
3510 1 9 . 1 1 19 19 SER HA H 19 4.100 4.100 4.037 0.063 18088
3511 1 9 . 1 1 19 19 SER CA C 19 60.250 60.250 59.872 0.378 18088
3512 1 9 . 1 1 19 19 SER CB C 19 61.700 61.700 63.837 -2.137 18088
3513 1 9 . 1 1 20 20 GLY N N 20 106.830 106.830 113.639 -6.809 18088
3514 1 9 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.142 0.007 18088
3515 1 9 . 1 1 20 20 GLY H H 20 8.260 8.260 8.129 0.131 18088
3516 1 9 . 1 1 21 21 LYS N N 21 120.310 120.310 123.996 -3.686 18088
3517 1 9 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.295 -0.325 18088
3518 1 9 . 1 1 21 21 LYS CA C 21 58.500 58.500 57.092 1.408 18088
3519 1 9 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.572 0.128 18088
3520 1 9 . 1 1 21 21 LYS H H 21 7.670 7.670 8.418 -0.748 18088
3521 1 9 . 1 1 22 22 GLU N N 22 117.240 117.240 120.742 -3.502 18088
3522 1 9 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.238 0.192 18088
3523 1 9 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.642 -2.322 18088
3524 1 9 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.013 1.137 18088
3525 1 9 . 1 1 22 22 GLU H H 22 7.870 7.870 8.547 -0.677 18088
3526 1 9 . 1 1 23 23 GLY N N 23 107.910 107.910 105.712 2.198 18088
3527 1 9 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.926 0.934 18088
3528 1 9 . 1 1 23 23 GLY H H 23 8.110 8.110 8.511 -0.401 18088
3529 1 9 . 1 1 24 24 ASP N N 24 122.900 122.900 120.379 2.521 18088
3530 1 9 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.053 -0.503 18088
3531 1 9 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.105 0.385 18088
3532 1 9 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.961 -0.601 18088
3533 1 9 . 1 1 24 24 ASP H H 24 8.180 8.180 8.041 0.139 18088
3534 1 9 . 1 1 25 25 LYS N N 25 124.810 124.810 122.201 2.609 18088
3535 1 9 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.507 -0.417 18088
3536 1 9 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.250 -0.870 18088
3537 1 9 . 1 1 25 25 LYS CB C 25 31.950 31.950 33.248 -1.298 18088
3538 1 9 . 1 1 25 25 LYS H H 25 8.440 8.440 8.664 -0.224 18088
3539 1 9 . 1 1 26 26 TYR N N 26 117.200 117.200 118.376 -1.176 18088
3540 1 9 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.382 0.738 18088
3541 1 9 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.515 -2.165 18088
3542 1 9 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.221 -0.551 18088
3543 1 9 . 1 1 26 26 TYR H H 26 8.490 8.490 8.342 0.148 18088
3544 1 9 . 1 1 27 27 LYS N N 27 118.320 118.320 116.343 1.977 18088
3545 1 9 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.947 0.533 18088
3546 1 9 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.224 -0.464 18088
3547 1 9 . 1 1 27 27 LYS CB C 27 37.420 37.420 35.909 1.511 18088
3548 1 9 . 1 1 27 27 LYS H H 27 7.870 7.870 7.665 0.205 18088
3549 1 9 . 1 1 28 28 LEU N N 28 121.530 121.530 122.831 -1.301 18088
3550 1 9 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.771 -0.051 18088
3551 1 9 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.008 -1.288 18088
3552 1 9 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.156 0.224 18088
3553 1 9 . 1 1 28 28 LEU H H 28 8.840 8.840 8.145 0.695 18088
3554 1 9 . 1 1 29 29 SER N N 29 120.620 120.620 118.253 2.367 18088
3555 1 9 . 1 1 29 29 SER HA H 29 5.040 5.040 4.581 0.459 18088
3556 1 9 . 1 1 29 29 SER CA C 29 57.850 57.850 59.200 -1.350 18088
3557 1 9 . 1 1 29 29 SER CB C 29 64.240 64.240 63.965 0.274 18088
3558 1 9 . 1 1 29 29 SER H H 29 8.940 8.940 8.615 0.325 18088
3559 1 9 . 1 1 30 30 LYS N N 30 124.390 124.390 122.783 1.607 18088
3560 1 9 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.112 -0.252 18088
3561 1 9 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.919 1.542 18088
3562 1 9 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.712 -0.892 18088
3563 1 9 . 1 1 30 30 LYS H H 30 8.810 8.810 8.659 0.151 18088
3564 1 9 . 1 1 31 31 LYS N N 31 120.250 120.250 119.527 0.723 18088
3565 1 9 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.906 0.264 18088
3566 1 9 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.566 -0.277 18088
3567 1 9 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.695 0.775 18088
3568 1 9 . 1 1 31 31 LYS H H 31 8.740 8.740 7.712 1.028 18088
3569 1 9 . 1 1 32 32 GLU N N 32 121.570 121.570 119.318 2.252 18088
3570 1 9 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.100 -0.020 18088
3571 1 9 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.462 -0.182 18088
3572 1 9 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.039 0.201 18088
3573 1 9 . 1 1 32 32 GLU H H 32 7.790 7.790 8.541 -0.751 18088
3574 1 9 . 1 1 33 33 LEU N N 33 121.720 121.720 121.670 0.050 18088
3575 1 9 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.053 -0.053 18088
3576 1 9 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.620 -0.430 18088
3577 1 9 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.059 -1.579 18088
3578 1 9 . 1 1 33 33 LEU H H 33 8.890 8.890 8.082 0.808 18088
3579 1 9 . 1 1 34 34 LYS N N 34 120.420 120.420 119.764 0.656 18088
3580 1 9 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.805 -0.185 18088
3581 1 9 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.586 0.254 18088
3582 1 9 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.019 -0.269 18088
3583 1 9 . 1 1 34 34 LYS H H 34 8.420 8.420 8.217 0.203 18088
3584 1 9 . 1 1 35 35 GLU N N 35 117.260 117.260 118.099 -0.839 18088
3585 1 9 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.085 -0.015 18088
3586 1 9 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.830 0.420 18088
3587 1 9 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.600 -0.550 18088
3588 1 9 . 1 1 35 35 GLU H H 35 7.220 7.220 7.613 -0.393 18088
3589 1 9 . 1 1 36 36 LEU N N 36 122.740 122.740 120.878 1.862 18088
3590 1 9 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.976 -0.246 18088
3591 1 9 . 1 1 36 36 LEU CA C 36 59.220 59.220 57.923 1.297 18088
3592 1 9 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.379 0.821 18088
3593 1 9 . 1 1 36 36 LEU H H 36 8.330 8.330 7.775 0.555 18088
3594 1 9 . 1 1 37 37 LEU N N 37 120.360 120.360 115.218 5.142 18088
3595 1 9 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.222 -0.542 18088
3596 1 9 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.921 0.349 18088
3597 1 9 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.296 0.204 18088
3598 1 9 . 1 1 37 37 LEU H H 37 8.790 8.790 7.911 0.879 18088
3599 1 9 . 1 1 38 38 GLN N N 38 113.560 113.560 117.824 -4.264 18088
3600 1 9 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.114 -0.394 18088
3601 1 9 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.278 0.402 18088
3602 1 9 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.650 0.110 18088
3603 1 9 . 1 1 38 38 GLN H H 38 8.100 8.100 8.333 -0.233 18088
3604 1 9 . 1 1 39 39 THR N N 39 109.810 109.810 116.226 -6.416 18088
3605 1 9 . 1 1 39 39 THR HA H 39 4.280 4.280 4.160 0.120 18088
3606 1 9 . 1 1 39 39 THR CA C 39 64.510 64.510 65.950 -1.440 18088
3607 1 9 . 1 1 39 39 THR CB C 39 69.740 69.740 69.055 0.685 18088
3608 1 9 . 1 1 39 39 THR H H 39 7.690 7.690 7.829 -0.139 18088
3609 1 9 . 1 1 40 40 GLU N N 40 118.480 118.480 121.400 -2.920 18088
3610 1 9 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.216 0.514 18088
3611 1 9 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.706 -2.017 18088
3612 1 9 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.910 0.180 18088
3613 1 9 . 1 1 40 40 GLU H H 40 9.000 9.000 7.761 1.239 18088
3614 1 9 . 1 1 41 41 LEU N N 41 120.000 120.000 120.175 -0.175 18088
3615 1 9 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.620 0.530 18088
3616 1 9 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.951 -0.711 18088
3617 1 9 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.522 0.728 18088
3618 1 9 . 1 1 41 41 LEU H H 41 7.890 7.890 7.856 0.034 18088
3619 1 9 . 1 1 42 42 SER N N 42 112.560 112.560 117.074 -4.514 18088
3620 1 9 . 1 1 42 42 SER HA H 42 3.840 3.840 4.357 -0.517 18088
3621 1 9 . 1 1 42 42 SER CA C 42 61.610 61.610 60.540 1.070 18088
3622 1 9 . 1 1 42 42 SER CB C 42 62.780 62.780 63.084 -0.304 18088
3623 1 9 . 1 1 42 42 SER H H 42 6.890 6.890 7.597 -0.707 18088
3624 1 9 . 1 1 43 43 GLY N N 43 114.540 114.540 109.726 4.814 18088
3625 1 9 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.227 -0.567 18088
3626 1 9 . 1 1 43 43 GLY H H 43 9.310 9.310 8.053 1.257 18088
3627 1 9 . 1 1 44 44 PHE N N 44 125.000 125.000 118.717 6.283 18088
3628 1 9 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.449 0.131 18088
3629 1 9 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.931 -2.321 18088
3630 1 9 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.906 -2.446 18088
3631 1 9 . 1 1 44 44 PHE H H 44 8.400 8.400 7.500 0.900 18088
3632 1 9 . 1 1 45 45 LEU N N 45 116.880 116.880 119.533 -2.653 18088
3633 1 9 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.029 -0.519 18088
3634 1 9 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.443 -0.203 18088
3635 1 9 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.964 -0.444 18088
3636 1 9 . 1 1 45 45 LEU H H 45 8.550 8.550 7.646 0.904 18088
3637 1 9 . 1 1 46 46 ASP N N 46 119.260 119.260 119.880 -0.620 18088
3638 1 9 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.433 0.287 18088
3639 1 9 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.964 -1.834 18088
3640 1 9 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.481 0.979 18088
3641 1 9 . 1 1 46 46 ASP H H 46 7.460 7.460 7.973 -0.513 18088
3642 1 9 . 1 1 47 47 ALA N N 47 124.850 124.850 122.317 2.533 18088
3643 1 9 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.320 0.220 18088
3644 1 9 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.387 -0.697 18088
3645 1 9 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.315 1.475 18088
3646 1 9 . 1 1 47 47 ALA H H 47 7.620 7.620 7.504 0.116 18088
3647 1 9 . 1 1 48 48 GLN N N 48 116.830 116.830 118.051 -1.221 18088
3648 1 9 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.264 -0.464 18088
3649 1 9 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.431 0.719 18088
3650 1 9 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.183 0.627 18088
3651 1 9 . 1 1 48 48 GLN H H 48 7.740 7.740 7.950 -0.210 18088
3652 1 9 . 1 1 49 49 LYS N N 49 121.570 121.570 123.639 -2.069 18088
3653 1 9 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.552 -0.432 18088
3654 1 9 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.946 -1.116 18088
3655 1 9 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.525 -3.475 18088
3656 1 9 . 1 1 49 49 LYS H H 49 7.790 7.790 8.375 -0.585 18088
3657 1 9 . 1 1 50 50 ASP N N 50 118.910 118.910 124.079 -5.169 18088
3658 1 9 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.644 0.046 18088
3659 1 9 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.710 -1.880 18088
3660 1 9 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.395 0.555 18088
3661 1 9 . 1 1 50 50 ASP H H 50 7.480 7.480 8.172 -0.692 18088
3662 1 9 . 1 1 51 51 VAL N N 51 122.060 122.060 121.525 0.535 18088
3663 1 9 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.621 0.279 18088
3664 1 9 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.642 -0.912 18088
3665 1 9 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.127 0.823 18088
3666 1 9 . 1 1 51 51 VAL H H 51 7.820 7.820 8.797 -0.977 18088
3667 1 9 . 1 1 52 52 ASP N N 52 120.090 120.090 120.158 -0.068 18088
3668 1 9 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.342 0.038 18088
3669 1 9 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.782 -0.522 18088
3670 1 9 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.460 0.120 18088
3671 1 9 . 1 1 52 52 ASP H H 52 8.190 8.190 8.463 -0.273 18088
3672 1 9 . 1 1 53 53 ALA N N 53 122.110 122.110 122.591 -0.481 18088
3673 1 9 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.238 -0.198 18088
3674 1 9 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.994 -0.394 18088
3675 1 9 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.769 -0.089 18088
3676 1 9 . 1 1 53 53 ALA H H 53 7.620 7.620 8.778 -1.158 18088
3677 1 9 . 1 1 54 54 VAL N N 54 118.070 118.070 119.092 -1.022 18088
3678 1 9 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.557 -0.137 18088
3679 1 9 . 1 1 54 54 VAL CA C 54 66.340 66.340 67.347 -1.006 18088
3680 1 9 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.120 0.890 18088
3681 1 9 . 1 1 54 54 VAL H H 54 7.380 7.380 7.637 -0.257 18088
3682 1 9 . 1 1 55 55 ASP N N 55 119.590 119.590 118.887 0.703 18088
3683 1 9 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.371 -0.061 18088
3684 1 9 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.551 -0.181 18088
3685 1 9 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.938 0.022 18088
3686 1 9 . 1 1 55 55 ASP H H 55 8.500 8.500 8.265 0.235 18088
3687 1 9 . 1 1 56 56 LYS N N 56 118.010 118.010 119.953 -1.943 18088
3688 1 9 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.953 -0.013 18088
3689 1 9 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.474 0.286 18088
3690 1 9 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.563 -0.053 18088
3691 1 9 . 1 1 56 56 LYS H H 56 7.970 7.970 7.419 0.551 18088
3692 1 9 . 1 1 57 57 VAL N N 57 119.390 119.390 120.228 -0.838 18088
3693 1 9 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.603 0.107 18088
3694 1 9 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.577 -0.537 18088
3695 1 9 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.484 0.616 18088
3696 1 9 . 1 1 57 57 VAL H H 57 7.310 7.310 8.474 -1.164 18088
3697 1 9 . 1 1 58 58 MET N N 58 116.040 116.040 116.474 -0.434 18088
3698 1 9 . 1 1 58 58 MET HA H 58 4.120 4.120 4.059 0.061 18088
3699 1 9 . 1 1 58 58 MET CA C 58 57.430 57.430 57.956 -0.526 18088
3700 1 9 . 1 1 58 58 MET CB C 58 31.260 31.260 31.452 -0.192 18088
3701 1 9 . 1 1 58 58 MET H H 58 8.370 8.370 8.048 0.322 18088
3702 1 9 . 1 1 59 59 LYS N N 59 118.900 118.900 118.758 0.142 18088
3703 1 9 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.076 -0.006 18088
3704 1 9 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.963 0.167 18088
3705 1 9 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.242 0.148 18088
3706 1 9 . 1 1 59 59 LYS H H 59 8.600 8.600 8.202 0.398 18088
3707 1 9 . 1 1 60 60 GLU N N 60 119.880 119.880 119.685 0.195 18088
3708 1 9 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.059 -0.019 18088
3709 1 9 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.369 0.161 18088
3710 1 9 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.782 -1.232 18088
3711 1 9 . 1 1 60 60 GLU H H 60 7.430 7.430 7.822 -0.392 18088
3712 1 9 . 1 1 61 61 LEU N N 61 116.900 116.900 117.289 -0.389 18088
3713 1 9 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.204 -0.264 18088
3714 1 9 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.129 0.081 18088
3715 1 9 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.713 -1.183 18088
3716 1 9 . 1 1 61 61 LEU H H 61 7.600 7.600 7.414 0.186 18088
3717 1 9 . 1 1 62 62 ASP N N 62 115.990 115.990 119.108 -3.118 18088
3718 1 9 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.277 0.193 18088
3719 1 9 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.060 -0.941 18088
3720 1 9 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.887 0.643 18088
3721 1 9 . 1 1 62 62 ASP H H 62 7.590 7.590 7.769 -0.179 18088
3722 1 9 . 1 1 63 63 GLU N N 63 118.920 118.920 117.405 1.515 18088
3723 1 9 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.272 -0.162 18088
3724 1 9 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.222 -0.192 18088
3725 1 9 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.627 0.373 18088
3726 1 9 . 1 1 63 63 GLU H H 63 8.120 8.120 7.780 0.340 18088
3727 1 9 . 1 1 64 64 ASN N N 64 117.750 117.750 118.092 -0.342 18088
3728 1 9 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.953 0.217 18088
3729 1 9 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.482 -0.612 18088
3730 1 9 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.455 0.155 18088
3731 1 9 . 1 1 64 64 ASN H H 64 7.730 7.730 7.647 0.083 18088
3732 1 9 . 1 1 65 65 GLY N N 65 107.100 107.100 109.483 -2.383 18088
3733 1 9 . 1 1 65 65 GLY CA C 65 47.880 47.880 46.908 0.972 18088
3734 1 9 . 1 1 65 65 GLY H H 65 7.750 7.750 7.727 0.023 18088
3735 1 9 . 1 1 66 66 ASP N N 66 115.630 115.630 120.246 -4.616 18088
3736 1 9 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.754 0.076 18088
3737 1 9 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.171 -0.121 18088
3738 1 9 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.563 -0.003 18088
3739 1 9 . 1 1 66 66 ASP H H 66 8.320 8.320 8.153 0.167 18088
3740 1 9 . 1 1 67 67 GLY N N 67 109.240 109.240 109.233 0.007 18088
3741 1 9 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.933 -0.143 18088
3742 1 9 . 1 1 67 67 GLY H H 67 8.260 8.260 7.983 0.277 18088
3743 1 9 . 1 1 68 68 GLU N N 68 117.540 117.540 117.509 0.031 18088
3744 1 9 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.893 0.357 18088
3745 1 9 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.520 -0.549 18088
3746 1 9 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.068 -0.178 18088
3747 1 9 . 1 1 68 68 GLU H H 68 8.500 8.500 8.161 0.339 18088
3748 1 9 . 1 1 69 69 VAL N N 69 115.550 115.550 119.320 -3.770 18088
3749 1 9 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.673 0.287 18088
3750 1 9 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.593 -0.523 18088
3751 1 9 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.285 -0.275 18088
3752 1 9 . 1 1 69 69 VAL H H 69 9.190 9.190 8.938 0.252 18088
3753 1 9 . 1 1 70 70 ASP N N 70 121.130 121.130 119.745 1.385 18088
3754 1 9 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.016 0.544 18088
3755 1 9 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.938 -1.938 18088
3756 1 9 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.433 0.237 18088
3757 1 9 . 1 1 70 70 ASP H H 70 8.320 8.320 8.178 0.142 18088
3758 1 9 . 1 1 71 71 PHE N N 71 119.290 119.290 120.618 -1.328 18088
3759 1 9 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.266 -0.796 18088
3760 1 9 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.381 -0.921 18088
3761 1 9 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.988 0.242 18088
3762 1 9 . 1 1 71 71 PHE H H 71 9.480 9.480 8.768 0.712 18088
3763 1 9 . 1 1 72 72 GLN N N 72 116.810 116.810 118.804 -1.994 18088
3764 1 9 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.910 -0.500 18088
3765 1 9 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.417 1.233 18088
3766 1 9 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.347 0.383 18088
3767 1 9 . 1 1 72 72 GLN H H 72 8.140 8.140 8.803 -0.663 18088
3768 1 9 . 1 1 73 73 GLU N N 73 119.590 119.590 118.754 0.836 18088
3769 1 9 . 1 1 73 73 GLU HA H 73 3.960 3.960 3.990 -0.030 18088
3770 1 9 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.822 0.308 18088
3771 1 9 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.707 0.483 18088
3772 1 9 . 1 1 73 73 GLU H H 73 8.260 8.260 8.029 0.231 18088
3773 1 9 . 1 1 74 74 TYR N N 74 122.520 122.520 121.974 0.546 18088
3774 1 9 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.076 0.254 18088
3775 1 9 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.081 -0.961 18088
3776 1 9 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.185 -1.475 18088
3777 1 9 . 1 1 74 74 TYR H H 74 8.240 8.240 8.347 -0.107 18088
3778 1 9 . 1 1 75 75 VAL N N 75 120.300 120.300 117.822 2.478 18088
3779 1 9 . 1 1 75 75 VAL HA H 75 2.650 2.650 2.955 -0.305 18088
3780 1 9 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.937 0.943 18088
3781 1 9 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.334 -0.904 18088
3782 1 9 . 1 1 75 75 VAL H H 75 7.980 7.980 8.068 -0.088 18088
3783 1 9 . 1 1 76 76 VAL N N 76 119.180 119.180 119.400 -0.220 18088
3784 1 9 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.574 -0.244 18088
3785 1 9 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.814 0.836 18088
3786 1 9 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.403 0.187 18088
3787 1 9 . 1 1 76 76 VAL H H 76 7.560 7.560 8.261 -0.701 18088
3788 1 9 . 1 1 77 77 LEU N N 77 121.440 121.440 119.779 1.661 18088
3789 1 9 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.094 0.046 18088
3790 1 9 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.499 0.681 18088
3791 1 9 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.093 0.857 18088
3792 1 9 . 1 1 77 77 LEU H H 77 7.740 7.740 7.258 0.482 18088
3793 1 9 . 1 1 78 78 VAL N N 78 119.220 119.220 115.984 3.236 18088
3794 1 9 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.566 -0.126 18088
3795 1 9 . 1 1 78 78 VAL CA C 78 67.130 67.130 64.956 2.174 18088
3796 1 9 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.075 1.235 18088
3797 1 9 . 1 1 78 78 VAL H H 78 8.320 8.320 7.135 1.185 18088
3798 1 9 . 1 1 79 79 ALA N N 79 124.780 124.780 121.711 3.069 18088
3799 1 9 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.108 -0.098 18088
3800 1 9 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.899 1.961 18088
3801 1 9 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.241 -0.281 18088
3802 1 9 . 1 1 79 79 ALA H H 79 9.000 9.000 8.083 0.917 18088
3803 1 9 . 1 1 80 80 ALA N N 80 121.760 121.760 121.236 0.524 18088
3804 1 9 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.008 -0.088 18088
3805 1 9 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.447 0.723 18088
3806 1 9 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.268 -0.788 18088
3807 1 9 . 1 1 80 80 ALA H H 80 8.240 8.240 7.406 0.834 18088
3808 1 9 . 1 1 81 81 LEU N N 81 118.310 118.310 117.705 0.605 18088
3809 1 9 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.096 -0.446 18088
3810 1 9 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.390 -0.080 18088
3811 1 9 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.920 -1.270 18088
3812 1 9 . 1 1 81 81 LEU H H 81 7.920 7.920 7.417 0.503 18088
3813 1 9 . 1 1 82 82 THR N N 82 116.240 116.240 115.545 0.695 18088
3814 1 9 . 1 1 82 82 THR HA H 82 3.710 3.710 4.014 -0.304 18088
3815 1 9 . 1 1 82 82 THR CA C 82 68.770 68.770 66.604 2.166 18088
3816 1 9 . 1 1 82 82 THR CB C 82 67.420 67.420 68.327 -0.907 18088
3817 1 9 . 1 1 82 82 THR H H 82 8.120 8.120 7.610 0.510 18088
3818 1 9 . 1 1 83 83 VAL N N 83 120.000 120.000 112.042 7.958 18088
3819 1 9 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.610 -0.580 18088
3820 1 9 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.450 3.500 18088
3821 1 9 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.252 -0.402 18088
3822 1 9 . 1 1 83 83 VAL H H 83 7.780 7.780 7.206 0.574 18088
3823 1 9 . 1 1 87 87 ASN N N 87 124.810 124.810 117.060 7.750 18088
3824 1 9 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.028 0.202 18088
3825 1 9 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.001 2.029 18088
3826 1 9 . 1 1 87 87 ASN CB C 87 38.270 38.270 37.853 0.417 18088
3827 1 9 . 1 1 87 87 ASN H H 87 9.130 9.130 7.183 1.947 18088
3828 1 9 . 1 1 88 88 PHE N N 88 120.680 120.680 114.507 6.173 18088
3829 1 9 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.049 0.041 18088
3830 1 9 . 1 1 88 88 PHE CA C 88 60.830 60.830 58.952 1.878 18088
3831 1 9 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.316 0.994 18088
3832 1 9 . 1 1 88 88 PHE H H 88 8.650 8.650 6.527 2.123 18088
3833 1 9 . 1 1 89 89 PHE N N 89 112.580 112.580 113.544 -0.964 18088
3834 1 9 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.727 -0.927 18088
3835 1 9 . 1 1 89 89 PHE CA C 89 58.910 58.910 56.640 2.270 18088
3836 1 9 . 1 1 89 89 PHE CB C 89 38.880 38.880 39.877 -0.997 18088
3837 1 9 . 1 1 89 89 PHE H H 89 7.410 7.410 6.947 0.463 18088
3838 1 9 . 1 1 90 90 TRP N N 90 118.690 118.690 119.965 -1.275 18088
3839 1 9 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.557 0.033 18088
3840 1 9 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.759 -0.459 18088
3841 1 9 . 1 1 90 90 TRP CB C 90 31.180 31.180 29.018 2.162 18088
3842 1 9 . 1 1 90 90 TRP H H 90 7.370 7.370 7.417 -0.047 18088
3843 1 9 . 1 1 91 91 GLU N N 91 121.380 121.380 118.755 2.625 18088
3844 1 9 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.409 -0.069 18088
3845 1 9 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.616 -0.146 18088
3846 1 9 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.880 -0.450 18088
3847 1 9 . 1 1 91 91 GLU H H 91 7.820 7.820 7.720 0.100 18088
3848 1 9 . 1 1 92 92 ASN N N 92 120.640 120.640 123.425 -2.785 18088
3849 1 9 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.821 -0.021 18088
3850 1 9 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.888 -0.348 18088
3851 1 9 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.684 0.296 18088
3852 1 9 . 1 1 92 92 ASN H H 92 8.560 8.560 8.723 -0.163 18088
3853 1 10 . 1 1 2 2 SER N N 2 118.720 118.720 117.722 0.998 18088
3854 1 10 . 1 1 2 2 SER HA H 2 4.690 4.690 4.740 -0.050 18088
3855 1 10 . 1 1 2 2 SER CA C 2 57.270 57.270 57.328 -0.058 18088
3856 1 10 . 1 1 2 2 SER CB C 2 65.140 65.140 65.761 -0.621 18088
3857 1 10 . 1 1 2 2 SER H H 2 9.270 9.270 8.400 0.870 18088
3858 1 10 . 1 1 3 3 GLU N N 3 122.920 122.920 121.590 1.330 18088
3859 1 10 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.132 -0.012 18088
3860 1 10 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.519 0.971 18088
3861 1 10 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.504 -0.534 18088
3862 1 10 . 1 1 3 3 GLU H H 3 9.260 9.260 9.039 0.221 18088
3863 1 10 . 1 1 4 4 LEU N N 4 121.140 121.140 116.083 5.057 18088
3864 1 10 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.116 -0.076 18088
3865 1 10 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.920 0.140 18088
3866 1 10 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.051 1.139 18088
3867 1 10 . 1 1 4 4 LEU H H 4 8.920 8.920 8.018 0.902 18088
3868 1 10 . 1 1 5 5 GLU N N 5 118.710 118.710 119.931 -1.221 18088
3869 1 10 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.035 -0.755 18088
3870 1 10 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.285 0.385 18088
3871 1 10 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.395 -0.245 18088
3872 1 10 . 1 1 5 5 GLU H H 5 7.880 7.880 7.660 0.220 18088
3873 1 10 . 1 1 6 6 THR N N 6 116.050 116.050 115.793 0.257 18088
3874 1 10 . 1 1 6 6 THR HA H 6 4.020 4.020 4.008 0.012 18088
3875 1 10 . 1 1 6 6 THR CA C 6 66.580 66.580 66.518 0.062 18088
3876 1 10 . 1 1 6 6 THR CB C 6 68.620 68.620 68.620 0.000 18088
3877 1 10 . 1 1 6 6 THR H H 6 8.440 8.440 7.641 0.799 18088
3878 1 10 . 1 1 7 7 ALA N N 7 125.840 125.840 125.214 0.626 18088
3879 1 10 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.126 0.154 18088
3880 1 10 . 1 1 7 7 ALA CA C 7 55.600 55.600 54.872 0.728 18088
3881 1 10 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.292 -0.222 18088
3882 1 10 . 1 1 7 7 ALA H H 7 8.320 8.320 8.039 0.281 18088
3883 1 10 . 1 1 8 8 MET N N 8 115.330 115.330 116.895 -1.565 18088
3884 1 10 . 1 1 8 8 MET HA H 8 4.860 4.860 4.123 0.737 18088
3885 1 10 . 1 1 8 8 MET CA C 8 56.510 56.510 58.951 -2.441 18088
3886 1 10 . 1 1 8 8 MET CB C 8 28.930 28.930 32.104 -3.174 18088
3887 1 10 . 1 1 8 8 MET H H 8 8.150 8.150 7.948 0.202 18088
3888 1 10 . 1 1 9 9 GLU N N 9 120.410 120.410 117.712 2.698 18088
3889 1 10 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.083 0.077 18088
3890 1 10 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.513 0.437 18088
3891 1 10 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.604 -0.784 18088
3892 1 10 . 1 1 9 9 GLU H H 9 8.760 8.760 7.971 0.789 18088
3893 1 10 . 1 1 10 10 THR N N 10 118.820 118.820 113.856 4.964 18088
3894 1 10 . 1 1 10 10 THR HA H 10 4.130 4.130 4.394 -0.264 18088
3895 1 10 . 1 1 10 10 THR CA C 10 67.180 67.180 65.678 1.502 18088
3896 1 10 . 1 1 10 10 THR CB C 10 67.770 67.770 69.072 -1.302 18088
3897 1 10 . 1 1 10 10 THR H H 10 8.510 8.510 8.286 0.224 18088
3898 1 10 . 1 1 11 11 LEU N N 11 121.840 121.840 122.724 -0.884 18088
3899 1 10 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.323 -0.243 18088
3900 1 10 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.259 1.991 18088
3901 1 10 . 1 1 11 11 LEU CB C 11 41.900 41.900 40.993 0.907 18088
3902 1 10 . 1 1 11 11 LEU H H 11 8.380 8.380 7.950 0.430 18088
3903 1 10 . 1 1 12 12 ILE N N 12 121.310 121.310 118.609 2.701 18088
3904 1 10 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.603 -0.063 18088
3905 1 10 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.315 0.805 18088
3906 1 10 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.158 1.182 18088
3907 1 10 . 1 1 12 12 ILE H H 12 8.520 8.520 7.638 0.882 18088
3908 1 10 . 1 1 13 13 ASN N N 13 120.570 120.570 119.047 1.523 18088
3909 1 10 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.392 -0.022 18088
3910 1 10 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.213 0.327 18088
3911 1 10 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.425 -0.515 18088
3912 1 10 . 1 1 13 13 ASN H H 13 8.700 8.700 7.621 1.079 18088
3913 1 10 . 1 1 14 14 VAL N N 14 122.040 122.040 119.399 2.641 18088
3914 1 10 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.753 0.127 18088
3915 1 10 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.708 0.802 18088
3916 1 10 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.140 0.680 18088
3917 1 10 . 1 1 14 14 VAL H H 14 8.900 8.900 7.511 1.389 18088
3918 1 10 . 1 1 15 15 PHE N N 15 120.410 120.410 120.254 0.156 18088
3919 1 10 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.947 -0.367 18088
3920 1 10 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.010 1.370 18088
3921 1 10 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.251 0.179 18088
3922 1 10 . 1 1 15 15 PHE H H 15 7.490 7.490 7.294 0.196 18088
3923 1 10 . 1 1 16 16 HIS N N 16 118.200 118.200 119.261 -1.061 18088
3924 1 10 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.373 0.847 18088
3925 1 10 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.364 -2.034 18088
3926 1 10 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.936 0.244 18088
3927 1 10 . 1 1 16 16 HIS H H 16 9.280 9.280 8.550 0.730 18088
3928 1 10 . 1 1 17 17 ALA N N 17 121.060 121.060 122.381 -1.321 18088
3929 1 10 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.931 -0.101 18088
3930 1 10 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.175 0.255 18088
3931 1 10 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.645 -1.115 18088
3932 1 10 . 1 1 17 17 ALA H H 17 8.180 8.180 7.952 0.228 18088
3933 1 10 . 1 1 18 18 HIS N N 18 112.580 112.580 114.387 -1.807 18088
3934 1 10 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.579 -0.199 18088
3935 1 10 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.723 1.707 18088
3936 1 10 . 1 1 18 18 HIS CB C 18 30.950 30.950 31.134 -0.184 18088
3937 1 10 . 1 1 18 18 HIS H H 18 7.410 7.410 7.473 -0.063 18088
3938 1 10 . 1 1 19 19 SER HA H 19 4.100 4.100 3.918 0.182 18088
3939 1 10 . 1 1 19 19 SER CA C 19 60.250 60.250 59.744 0.506 18088
3940 1 10 . 1 1 19 19 SER CB C 19 61.700 61.700 63.295 -1.595 18088
3941 1 10 . 1 1 20 20 GLY N N 20 106.830 106.830 115.362 -8.532 18088
3942 1 10 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.403 -0.252 18088
3943 1 10 . 1 1 20 20 GLY H H 20 8.260 8.260 8.384 -0.124 18088
3944 1 10 . 1 1 21 21 LYS N N 21 120.310 120.310 123.039 -2.729 18088
3945 1 10 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.412 -0.442 18088
3946 1 10 . 1 1 21 21 LYS CA C 21 58.500 58.500 57.479 1.021 18088
3947 1 10 . 1 1 21 21 LYS CB C 21 32.700 32.700 33.460 -0.760 18088
3948 1 10 . 1 1 21 21 LYS H H 21 7.670 7.670 8.308 -0.638 18088
3949 1 10 . 1 1 22 22 GLU N N 22 117.240 117.240 120.215 -2.975 18088
3950 1 10 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.381 0.049 18088
3951 1 10 . 1 1 22 22 GLU CA C 22 55.320 55.320 56.380 -1.060 18088
3952 1 10 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.785 1.365 18088
3953 1 10 . 1 1 22 22 GLU H H 22 7.870 7.870 8.594 -0.724 18088
3954 1 10 . 1 1 23 23 GLY N N 23 107.910 107.910 107.256 0.654 18088
3955 1 10 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.814 1.046 18088
3956 1 10 . 1 1 23 23 GLY H H 23 8.110 8.110 8.356 -0.246 18088
3957 1 10 . 1 1 24 24 ASP N N 24 122.900 122.900 123.165 -0.265 18088
3958 1 10 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.935 -0.385 18088
3959 1 10 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.751 -0.261 18088
3960 1 10 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.643 0.717 18088
3961 1 10 . 1 1 24 24 ASP H H 24 8.180 8.180 9.262 -1.082 18088
3962 1 10 . 1 1 25 25 LYS N N 25 124.810 124.810 124.528 0.282 18088
3963 1 10 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.218 -0.128 18088
3964 1 10 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.588 -2.208 18088
3965 1 10 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.734 -0.784 18088
3966 1 10 . 1 1 25 25 LYS H H 25 8.440 8.440 8.682 -0.242 18088
3967 1 10 . 1 1 26 26 TYR N N 26 117.200 117.200 114.063 3.137 18088
3968 1 10 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.483 0.637 18088
3969 1 10 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.418 -3.068 18088
3970 1 10 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.292 -0.622 18088
3971 1 10 . 1 1 26 26 TYR H H 26 8.490 8.490 8.613 -0.123 18088
3972 1 10 . 1 1 27 27 LYS N N 27 118.320 118.320 115.974 2.346 18088
3973 1 10 . 1 1 27 27 LYS HA H 27 5.480 5.480 5.021 0.459 18088
3974 1 10 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.862 -0.102 18088
3975 1 10 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.072 1.348 18088
3976 1 10 . 1 1 27 27 LYS H H 27 7.870 7.870 7.612 0.258 18088
3977 1 10 . 1 1 28 28 LEU N N 28 121.530 121.530 121.684 -0.154 18088
3978 1 10 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.709 0.011 18088
3979 1 10 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.595 -0.875 18088
3980 1 10 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.776 0.604 18088
3981 1 10 . 1 1 28 28 LEU H H 28 8.840 8.840 8.077 0.763 18088
3982 1 10 . 1 1 29 29 SER N N 29 120.620 120.620 116.576 4.044 18088
3983 1 10 . 1 1 29 29 SER HA H 29 5.040 5.040 4.488 0.552 18088
3984 1 10 . 1 1 29 29 SER CA C 29 57.850 57.850 59.785 -1.935 18088
3985 1 10 . 1 1 29 29 SER CB C 29 64.240 64.240 64.116 0.124 18088
3986 1 10 . 1 1 29 29 SER H H 29 8.940 8.940 8.625 0.315 18088
3987 1 10 . 1 1 30 30 LYS N N 30 124.390 124.390 121.973 2.417 18088
3988 1 10 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.114 -0.254 18088
3989 1 10 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.233 1.228 18088
3990 1 10 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.629 -0.809 18088
3991 1 10 . 1 1 30 30 LYS H H 30 8.810 8.810 8.818 -0.008 18088
3992 1 10 . 1 1 31 31 LYS N N 31 120.250 120.250 119.406 0.844 18088
3993 1 10 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.986 0.184 18088
3994 1 10 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.248 0.042 18088
3995 1 10 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.290 1.180 18088
3996 1 10 . 1 1 31 31 LYS H H 31 8.740 8.740 7.652 1.088 18088
3997 1 10 . 1 1 32 32 GLU N N 32 121.570 121.570 119.406 2.164 18088
3998 1 10 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.126 -0.046 18088
3999 1 10 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.752 -0.471 18088
4000 1 10 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.834 0.406 18088
4001 1 10 . 1 1 32 32 GLU H H 32 7.790 7.790 8.521 -0.731 18088
4002 1 10 . 1 1 33 33 LEU N N 33 121.720 121.720 121.588 0.132 18088
4003 1 10 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.163 -0.163 18088
4004 1 10 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.071 0.119 18088
4005 1 10 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.206 -1.726 18088
4006 1 10 . 1 1 33 33 LEU H H 33 8.890 8.890 7.883 1.007 18088
4007 1 10 . 1 1 34 34 LYS N N 34 120.420 120.420 119.057 1.363 18088
4008 1 10 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.788 -0.168 18088
4009 1 10 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.378 0.462 18088
4010 1 10 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.081 -0.331 18088
4011 1 10 . 1 1 34 34 LYS H H 34 8.420 8.420 8.500 -0.080 18088
4012 1 10 . 1 1 35 35 GLU N N 35 117.260 117.260 117.869 -0.609 18088
4013 1 10 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.098 -0.028 18088
4014 1 10 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.486 0.764 18088
4015 1 10 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.838 -0.788 18088
4016 1 10 . 1 1 35 35 GLU H H 35 7.220 7.220 7.576 -0.356 18088
4017 1 10 . 1 1 36 36 LEU N N 36 122.740 122.740 121.319 1.421 18088
4018 1 10 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.923 -0.193 18088
4019 1 10 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.081 1.139 18088
4020 1 10 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.407 0.793 18088
4021 1 10 . 1 1 36 36 LEU H H 36 8.330 8.330 7.651 0.679 18088
4022 1 10 . 1 1 37 37 LEU N N 37 120.360 120.360 115.142 5.218 18088
4023 1 10 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.224 -0.544 18088
4024 1 10 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.872 0.398 18088
4025 1 10 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.177 0.323 18088
4026 1 10 . 1 1 37 37 LEU H H 37 8.790 8.790 7.704 1.086 18088
4027 1 10 . 1 1 38 38 GLN N N 38 113.560 113.560 118.135 -4.575 18088
4028 1 10 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.061 -0.341 18088
4029 1 10 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.421 0.259 18088
4030 1 10 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.499 0.261 18088
4031 1 10 . 1 1 38 38 GLN H H 38 8.100 8.100 7.934 0.166 18088
4032 1 10 . 1 1 39 39 THR N N 39 109.810 109.810 115.434 -5.624 18088
4033 1 10 . 1 1 39 39 THR HA H 39 4.280 4.280 4.187 0.093 18088
4034 1 10 . 1 1 39 39 THR CA C 39 64.510 64.510 65.729 -1.219 18088
4035 1 10 . 1 1 39 39 THR CB C 39 69.740 69.740 69.112 0.628 18088
4036 1 10 . 1 1 39 39 THR H H 39 7.690 7.690 7.815 -0.125 18088
4037 1 10 . 1 1 40 40 GLU N N 40 118.480 118.480 120.967 -2.487 18088
4038 1 10 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.306 0.424 18088
4039 1 10 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.557 -1.867 18088
4040 1 10 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.019 0.071 18088
4041 1 10 . 1 1 40 40 GLU H H 40 9.000 9.000 7.794 1.206 18088
4042 1 10 . 1 1 41 41 LEU N N 41 120.000 120.000 120.599 -0.599 18088
4043 1 10 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.613 0.537 18088
4044 1 10 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.984 -0.744 18088
4045 1 10 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.408 0.842 18088
4046 1 10 . 1 1 41 41 LEU H H 41 7.890 7.890 7.915 -0.025 18088
4047 1 10 . 1 1 42 42 SER N N 42 112.560 112.560 116.645 -4.085 18088
4048 1 10 . 1 1 42 42 SER HA H 42 3.840 3.840 4.368 -0.528 18088
4049 1 10 . 1 1 42 42 SER CA C 42 61.610 61.610 61.286 0.324 18088
4050 1 10 . 1 1 42 42 SER CB C 42 62.780 62.780 63.121 -0.341 18088
4051 1 10 . 1 1 42 42 SER H H 42 6.890 6.890 7.617 -0.727 18088
4052 1 10 . 1 1 43 43 GLY N N 43 114.540 114.540 109.559 4.981 18088
4053 1 10 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.190 -0.530 18088
4054 1 10 . 1 1 43 43 GLY H H 43 9.310 9.310 8.066 1.244 18088
4055 1 10 . 1 1 44 44 PHE N N 44 125.000 125.000 118.941 6.059 18088
4056 1 10 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.416 0.164 18088
4057 1 10 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.747 -2.137 18088
4058 1 10 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.870 -2.410 18088
4059 1 10 . 1 1 44 44 PHE H H 44 8.400 8.400 7.652 0.748 18088
4060 1 10 . 1 1 45 45 LEU N N 45 116.880 116.880 121.214 -4.334 18088
4061 1 10 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.059 -0.549 18088
4062 1 10 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.112 0.128 18088
4063 1 10 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.653 -0.133 18088
4064 1 10 . 1 1 45 45 LEU H H 45 8.550 8.550 7.504 1.046 18088
4065 1 10 . 1 1 46 46 ASP N N 46 119.260 119.260 120.221 -0.961 18088
4066 1 10 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.369 0.351 18088
4067 1 10 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.567 -1.437 18088
4068 1 10 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.654 0.806 18088
4069 1 10 . 1 1 46 46 ASP H H 46 7.460 7.460 7.929 -0.469 18088
4070 1 10 . 1 1 47 47 ALA N N 47 124.850 124.850 122.678 2.172 18088
4071 1 10 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.278 0.262 18088
4072 1 10 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.452 -0.762 18088
4073 1 10 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.554 1.236 18088
4074 1 10 . 1 1 47 47 ALA H H 47 7.620 7.620 7.571 0.049 18088
4075 1 10 . 1 1 48 48 GLN N N 48 116.830 116.830 118.547 -1.717 18088
4076 1 10 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.233 -0.433 18088
4077 1 10 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.551 0.599 18088
4078 1 10 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.329 1.481 18088
4079 1 10 . 1 1 48 48 GLN H H 48 7.740 7.740 8.030 -0.290 18088
4080 1 10 . 1 1 49 49 LYS N N 49 121.570 121.570 124.505 -2.935 18088
4081 1 10 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.577 -0.457 18088
4082 1 10 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.591 -0.761 18088
4083 1 10 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.155 -3.105 18088
4084 1 10 . 1 1 49 49 LYS H H 49 7.790 7.790 8.744 -0.954 18088
4085 1 10 . 1 1 50 50 ASP N N 50 118.910 118.910 122.847 -3.937 18088
4086 1 10 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.711 -0.021 18088
4087 1 10 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.823 -1.993 18088
4088 1 10 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.270 0.680 18088
4089 1 10 . 1 1 50 50 ASP H H 50 7.480 7.480 8.188 -0.708 18088
4090 1 10 . 1 1 51 51 VAL N N 51 122.060 122.060 122.530 -0.470 18088
4091 1 10 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.592 0.308 18088
4092 1 10 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.636 -0.906 18088
4093 1 10 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.700 0.250 18088
4094 1 10 . 1 1 51 51 VAL H H 51 7.820 7.820 8.580 -0.760 18088
4095 1 10 . 1 1 52 52 ASP N N 52 120.090 120.090 120.107 -0.017 18088
4096 1 10 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.316 0.064 18088
4097 1 10 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.477 -0.217 18088
4098 1 10 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.923 0.657 18088
4099 1 10 . 1 1 52 52 ASP H H 52 8.190 8.190 8.420 -0.230 18088
4100 1 10 . 1 1 53 53 ALA N N 53 122.110 122.110 122.229 -0.119 18088
4101 1 10 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.230 -0.190 18088
4102 1 10 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.983 -0.383 18088
4103 1 10 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.721 -0.041 18088
4104 1 10 . 1 1 53 53 ALA H H 53 7.620 7.620 8.865 -1.245 18088
4105 1 10 . 1 1 54 54 VAL N N 54 118.070 118.070 118.668 -0.598 18088
4106 1 10 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.549 -0.129 18088
4107 1 10 . 1 1 54 54 VAL CA C 54 66.340 66.340 67.516 -1.176 18088
4108 1 10 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.624 0.386 18088
4109 1 10 . 1 1 54 54 VAL H H 54 7.380 7.380 7.760 -0.380 18088
4110 1 10 . 1 1 55 55 ASP N N 55 119.590 119.590 118.272 1.318 18088
4111 1 10 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.504 -0.194 18088
4112 1 10 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.293 0.077 18088
4113 1 10 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.105 -0.145 18088
4114 1 10 . 1 1 55 55 ASP H H 55 8.500 8.500 8.097 0.403 18088
4115 1 10 . 1 1 56 56 LYS N N 56 118.010 118.010 120.383 -2.373 18088
4116 1 10 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.057 -0.117 18088
4117 1 10 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.233 0.527 18088
4118 1 10 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.667 -0.157 18088
4119 1 10 . 1 1 56 56 LYS H H 56 7.970 7.970 7.547 0.423 18088
4120 1 10 . 1 1 57 57 VAL N N 57 119.390 119.390 120.195 -0.805 18088
4121 1 10 . 1 1 57 57 VAL HA H 57 3.710 3.710 4.203 -0.493 18088
4122 1 10 . 1 1 57 57 VAL CA C 57 66.040 66.040 64.455 1.585 18088
4123 1 10 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.911 0.189 18088
4124 1 10 . 1 1 57 57 VAL H H 57 7.310 7.310 8.421 -1.111 18088
4125 1 10 . 1 1 58 58 MET N N 58 116.040 116.040 118.076 -2.036 18088
4126 1 10 . 1 1 58 58 MET HA H 58 4.120 4.120 4.016 0.104 18088
4127 1 10 . 1 1 58 58 MET CA C 58 57.430 57.430 59.523 -2.093 18088
4128 1 10 . 1 1 58 58 MET CB C 58 31.260 31.260 32.485 -1.225 18088
4129 1 10 . 1 1 58 58 MET H H 58 8.370 8.370 7.697 0.673 18088
4130 1 10 . 1 1 59 59 LYS N N 59 118.900 118.900 118.118 0.782 18088
4131 1 10 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.052 0.018 18088
4132 1 10 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.318 -0.188 18088
4133 1 10 . 1 1 59 59 LYS CB C 59 32.390 32.390 31.830 0.560 18088
4134 1 10 . 1 1 59 59 LYS H H 59 8.600 8.600 8.359 0.241 18088
4135 1 10 . 1 1 60 60 GLU N N 60 119.880 119.880 120.887 -1.007 18088
4136 1 10 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.025 0.015 18088
4137 1 10 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.384 0.146 18088
4138 1 10 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.576 -1.026 18088
4139 1 10 . 1 1 60 60 GLU H H 60 7.430 7.430 7.465 -0.035 18088
4140 1 10 . 1 1 61 61 LEU N N 61 116.900 116.900 117.544 -0.644 18088
4141 1 10 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.023 -0.083 18088
4142 1 10 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.902 -0.692 18088
4143 1 10 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.480 -0.950 18088
4144 1 10 . 1 1 61 61 LEU H H 61 7.600 7.600 7.455 0.145 18088
4145 1 10 . 1 1 62 62 ASP N N 62 115.990 115.990 119.318 -3.328 18088
4146 1 10 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.309 0.161 18088
4147 1 10 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.367 -1.247 18088
4148 1 10 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.756 0.774 18088
4149 1 10 . 1 1 62 62 ASP H H 62 7.590 7.590 7.679 -0.089 18088
4150 1 10 . 1 1 63 63 GLU N N 63 118.920 118.920 118.104 0.816 18088
4151 1 10 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.183 -0.073 18088
4152 1 10 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.632 -0.602 18088
4153 1 10 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.562 0.438 18088
4154 1 10 . 1 1 63 63 GLU H H 63 8.120 8.120 7.955 0.165 18088
4155 1 10 . 1 1 64 64 ASN N N 64 117.750 117.750 117.879 -0.129 18088
4156 1 10 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.872 0.298 18088
4157 1 10 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.237 -1.367 18088
4158 1 10 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.434 0.176 18088
4159 1 10 . 1 1 64 64 ASN H H 64 7.730 7.730 7.779 -0.049 18088
4160 1 10 . 1 1 65 65 GLY N N 65 107.100 107.100 109.399 -2.299 18088
4161 1 10 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.298 0.582 18088
4162 1 10 . 1 1 65 65 GLY H H 65 7.750 7.750 7.626 0.124 18088
4163 1 10 . 1 1 66 66 ASP N N 66 115.630 115.630 121.039 -5.409 18088
4164 1 10 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.696 0.134 18088
4165 1 10 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.235 -0.185 18088
4166 1 10 . 1 1 66 66 ASP CB C 66 40.560 40.560 39.884 0.676 18088
4167 1 10 . 1 1 66 66 ASP H H 66 8.320 8.320 8.082 0.238 18088
4168 1 10 . 1 1 67 67 GLY N N 67 109.240 109.240 108.309 0.931 18088
4169 1 10 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.770 0.020 18088
4170 1 10 . 1 1 67 67 GLY H H 67 8.260 8.260 8.118 0.142 18088
4171 1 10 . 1 1 68 68 GLU N N 68 117.540 117.540 118.655 -1.115 18088
4172 1 10 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.617 0.633 18088
4173 1 10 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.663 -0.693 18088
4174 1 10 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.240 0.650 18088
4175 1 10 . 1 1 68 68 GLU H H 68 8.500 8.500 8.343 0.157 18088
4176 1 10 . 1 1 69 69 VAL N N 69 115.550 115.550 119.651 -4.101 18088
4177 1 10 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.604 0.356 18088
4178 1 10 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.350 -0.280 18088
4179 1 10 . 1 1 69 69 VAL CB C 69 35.010 35.010 36.297 -1.288 18088
4180 1 10 . 1 1 69 69 VAL H H 69 9.190 9.190 8.596 0.594 18088
4181 1 10 . 1 1 70 70 ASP N N 70 121.130 121.130 120.502 0.628 18088
4182 1 10 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.893 0.667 18088
4183 1 10 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.747 -1.747 18088
4184 1 10 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.284 0.386 18088
4185 1 10 . 1 1 70 70 ASP H H 70 8.320 8.320 8.161 0.159 18088
4186 1 10 . 1 1 71 71 PHE N N 71 119.290 119.290 119.937 -0.647 18088
4187 1 10 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.837 -0.367 18088
4188 1 10 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.992 -0.532 18088
4189 1 10 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.420 0.810 18088
4190 1 10 . 1 1 71 71 PHE H H 71 9.480 9.480 8.675 0.805 18088
4191 1 10 . 1 1 72 72 GLN N N 72 116.810 116.810 118.420 -1.610 18088
4192 1 10 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.846 -0.436 18088
4193 1 10 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.145 1.505 18088
4194 1 10 . 1 1 72 72 GLN CB C 72 28.730 28.730 27.712 1.018 18088
4195 1 10 . 1 1 72 72 GLN H H 72 8.140 8.140 8.691 -0.551 18088
4196 1 10 . 1 1 73 73 GLU N N 73 119.590 119.590 119.400 0.190 18088
4197 1 10 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.063 -0.103 18088
4198 1 10 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.798 0.332 18088
4199 1 10 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.425 0.765 18088
4200 1 10 . 1 1 73 73 GLU H H 73 8.260 8.260 8.103 0.157 18088
4201 1 10 . 1 1 74 74 TYR N N 74 122.520 122.520 121.532 0.988 18088
4202 1 10 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.043 0.287 18088
4203 1 10 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.240 -1.121 18088
4204 1 10 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.373 -1.663 18088
4205 1 10 . 1 1 74 74 TYR H H 74 8.240 8.240 8.131 0.109 18088
4206 1 10 . 1 1 75 75 VAL N N 75 120.300 120.300 118.072 2.228 18088
4207 1 10 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.225 -0.575 18088
4208 1 10 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.632 0.248 18088
4209 1 10 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.085 -0.655 18088
4210 1 10 . 1 1 75 75 VAL H H 75 7.980 7.980 8.102 -0.122 18088
4211 1 10 . 1 1 76 76 VAL N N 76 119.180 119.180 118.556 0.624 18088
4212 1 10 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.520 -0.190 18088
4213 1 10 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.837 0.813 18088
4214 1 10 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.370 0.220 18088
4215 1 10 . 1 1 76 76 VAL H H 76 7.560 7.560 7.701 -0.141 18088
4216 1 10 . 1 1 77 77 LEU N N 77 121.440 121.440 119.092 2.348 18088
4217 1 10 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.993 0.147 18088
4218 1 10 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.300 0.880 18088
4219 1 10 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.804 0.146 18088
4220 1 10 . 1 1 77 77 LEU H H 77 7.740 7.740 7.217 0.523 18088
4221 1 10 . 1 1 78 78 VAL N N 78 119.220 119.220 116.209 3.011 18088
4222 1 10 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.511 -0.071 18088
4223 1 10 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.340 1.790 18088
4224 1 10 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.157 0.153 18088
4225 1 10 . 1 1 78 78 VAL H H 78 8.320 8.320 7.198 1.122 18088
4226 1 10 . 1 1 79 79 ALA N N 79 124.780 124.780 121.141 3.639 18088
4227 1 10 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.248 -0.238 18088
4228 1 10 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.725 2.135 18088
4229 1 10 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.503 -0.543 18088
4230 1 10 . 1 1 79 79 ALA H H 79 9.000 9.000 8.427 0.573 18088
4231 1 10 . 1 1 80 80 ALA N N 80 121.760 121.760 121.418 0.342 18088
4232 1 10 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.970 -0.050 18088
4233 1 10 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.621 0.549 18088
4234 1 10 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.218 -0.738 18088
4235 1 10 . 1 1 80 80 ALA H H 80 8.240 8.240 7.543 0.697 18088
4236 1 10 . 1 1 81 81 LEU N N 81 118.310 118.310 117.501 0.809 18088
4237 1 10 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.083 -0.433 18088
4238 1 10 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.255 0.055 18088
4239 1 10 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.000 -1.350 18088
4240 1 10 . 1 1 81 81 LEU H H 81 7.920 7.920 7.429 0.491 18088
4241 1 10 . 1 1 82 82 THR N N 82 116.240 116.240 116.200 0.040 18088
4242 1 10 . 1 1 82 82 THR HA H 82 3.710 3.710 4.014 -0.304 18088
4243 1 10 . 1 1 82 82 THR CA C 82 68.770 68.770 66.811 1.959 18088
4244 1 10 . 1 1 82 82 THR CB C 82 67.420 67.420 68.680 -1.260 18088
4245 1 10 . 1 1 82 82 THR H H 82 8.120 8.120 7.586 0.534 18088
4246 1 10 . 1 1 83 83 VAL N N 83 120.000 120.000 112.215 7.785 18088
4247 1 10 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.585 -0.555 18088
4248 1 10 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.499 3.451 18088
4249 1 10 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.355 -0.505 18088
4250 1 10 . 1 1 83 83 VAL H H 83 7.780 7.780 7.292 0.488 18088
4251 1 10 . 1 1 87 87 ASN N N 87 124.810 124.810 117.300 7.510 18088
4252 1 10 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.211 0.019 18088
4253 1 10 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.978 2.052 18088
4254 1 10 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.445 -0.175 18088
4255 1 10 . 1 1 87 87 ASN H H 87 9.130 9.130 7.579 1.551 18088
4256 1 10 . 1 1 88 88 PHE N N 88 120.680 120.680 116.914 3.766 18088
4257 1 10 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.115 -0.025 18088
4258 1 10 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.330 1.500 18088
4259 1 10 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.959 0.351 18088
4260 1 10 . 1 1 88 88 PHE H H 88 8.650 8.650 7.712 0.938 18088
4261 1 10 . 1 1 89 89 PHE N N 89 112.580 112.580 115.141 -2.561 18088
4262 1 10 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.646 -0.846 18088
4263 1 10 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.635 1.275 18088
4264 1 10 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.679 -1.799 18088
4265 1 10 . 1 1 89 89 PHE H H 89 7.410 7.410 7.453 -0.043 18088
4266 1 10 . 1 1 90 90 TRP N N 90 118.690 118.690 122.477 -3.787 18088
4267 1 10 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.705 -0.115 18088
4268 1 10 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.413 -0.113 18088
4269 1 10 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.558 3.622 18088
4270 1 10 . 1 1 90 90 TRP H H 90 7.370 7.370 8.355 -0.985 18088
4271 1 10 . 1 1 91 91 GLU N N 91 121.380 121.380 119.991 1.389 18088
4272 1 10 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.398 -0.058 18088
4273 1 10 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.160 0.310 18088
4274 1 10 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.847 -0.417 18088
4275 1 10 . 1 1 91 91 GLU H H 91 7.820 7.820 8.249 -0.429 18088
4276 1 10 . 1 1 92 92 ASN N N 92 120.640 120.640 123.864 -3.224 18088
4277 1 10 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.703 0.097 18088
4278 1 10 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.305 -0.765 18088
4279 1 10 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.839 0.141 18088
4280 1 10 . 1 1 92 92 ASN H H 92 8.560 8.560 8.661 -0.101 18088
4281 1 11 . 1 1 2 2 SER N N 2 118.720 118.720 115.820 2.900 18088
4282 1 11 . 1 1 2 2 SER HA H 2 4.690 4.690 4.476 0.214 18088
4283 1 11 . 1 1 2 2 SER CA C 2 57.270 57.270 57.010 0.261 18088
4284 1 11 . 1 1 2 2 SER CB C 2 65.140 65.140 64.673 0.467 18088
4285 1 11 . 1 1 2 2 SER H H 2 9.270 9.270 7.822 1.448 18088
4286 1 11 . 1 1 3 3 GLU N N 3 122.920 122.920 123.295 -0.375 18088
4287 1 11 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.107 0.013 18088
4288 1 11 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.032 1.458 18088
4289 1 11 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.683 -0.713 18088
4290 1 11 . 1 1 3 3 GLU H H 3 9.260 9.260 8.887 0.373 18088
4291 1 11 . 1 1 4 4 LEU N N 4 121.140 121.140 116.882 4.258 18088
4292 1 11 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.045 -0.005 18088
4293 1 11 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.140 -0.080 18088
4294 1 11 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.306 0.884 18088
4295 1 11 . 1 1 4 4 LEU H H 4 8.920 8.920 7.545 1.375 18088
4296 1 11 . 1 1 5 5 GLU N N 5 118.710 118.710 119.885 -1.175 18088
4297 1 11 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.988 -0.708 18088
4298 1 11 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.404 0.266 18088
4299 1 11 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.511 -0.361 18088
4300 1 11 . 1 1 5 5 GLU H H 5 7.880 7.880 7.948 -0.068 18088
4301 1 11 . 1 1 6 6 THR N N 6 116.050 116.050 116.439 -0.389 18088
4302 1 11 . 1 1 6 6 THR HA H 6 4.020 4.020 3.971 0.049 18088
4303 1 11 . 1 1 6 6 THR CA C 6 66.580 66.580 66.026 0.554 18088
4304 1 11 . 1 1 6 6 THR CB C 6 68.620 68.620 68.720 -0.100 18088
4305 1 11 . 1 1 6 6 THR H H 6 8.440 8.440 7.524 0.916 18088
4306 1 11 . 1 1 7 7 ALA N N 7 125.840 125.840 124.942 0.898 18088
4307 1 11 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.008 0.272 18088
4308 1 11 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.080 0.520 18088
4309 1 11 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.277 -0.207 18088
4310 1 11 . 1 1 7 7 ALA H H 7 8.320 8.320 7.911 0.409 18088
4311 1 11 . 1 1 8 8 MET N N 8 115.330 115.330 117.791 -2.461 18088
4312 1 11 . 1 1 8 8 MET HA H 8 4.860 4.860 4.099 0.761 18088
4313 1 11 . 1 1 8 8 MET CA C 8 56.510 56.510 57.803 -1.293 18088
4314 1 11 . 1 1 8 8 MET CB C 8 28.930 28.930 30.950 -2.020 18088
4315 1 11 . 1 1 8 8 MET H H 8 8.150 8.150 7.750 0.400 18088
4316 1 11 . 1 1 9 9 GLU N N 9 120.410 120.410 118.761 1.649 18088
4317 1 11 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.985 0.175 18088
4318 1 11 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.401 0.549 18088
4319 1 11 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.630 -0.810 18088
4320 1 11 . 1 1 9 9 GLU H H 9 8.760 8.760 7.765 0.995 18088
4321 1 11 . 1 1 10 10 THR N N 10 118.820 118.820 112.307 6.513 18088
4322 1 11 . 1 1 10 10 THR HA H 10 4.130 4.130 4.335 -0.205 18088
4323 1 11 . 1 1 10 10 THR CA C 10 67.180 67.180 65.103 2.077 18088
4324 1 11 . 1 1 10 10 THR CB C 10 67.770 67.770 69.175 -1.405 18088
4325 1 11 . 1 1 10 10 THR H H 10 8.510 8.510 8.183 0.327 18088
4326 1 11 . 1 1 11 11 LEU N N 11 121.840 121.840 122.609 -0.769 18088
4327 1 11 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.308 -0.228 18088
4328 1 11 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.659 2.591 18088
4329 1 11 . 1 1 11 11 LEU CB C 11 41.900 41.900 40.984 0.916 18088
4330 1 11 . 1 1 11 11 LEU H H 11 8.380 8.380 7.547 0.833 18088
4331 1 11 . 1 1 12 12 ILE N N 12 121.310 121.310 118.844 2.466 18088
4332 1 11 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.299 0.241 18088
4333 1 11 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.462 0.658 18088
4334 1 11 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.033 1.307 18088
4335 1 11 . 1 1 12 12 ILE H H 12 8.520 8.520 7.781 0.739 18088
4336 1 11 . 1 1 13 13 ASN N N 13 120.570 120.570 118.000 2.570 18088
4337 1 11 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.377 -0.007 18088
4338 1 11 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.039 0.501 18088
4339 1 11 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.389 -0.479 18088
4340 1 11 . 1 1 13 13 ASN H H 13 8.700 8.700 7.666 1.034 18088
4341 1 11 . 1 1 14 14 VAL N N 14 122.040 122.040 120.132 1.908 18088
4342 1 11 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.753 0.127 18088
4343 1 11 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.247 0.263 18088
4344 1 11 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.358 0.462 18088
4345 1 11 . 1 1 14 14 VAL H H 14 8.900 8.900 7.503 1.397 18088
4346 1 11 . 1 1 15 15 PHE N N 15 120.410 120.410 120.854 -0.444 18088
4347 1 11 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.995 -0.415 18088
4348 1 11 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.667 0.713 18088
4349 1 11 . 1 1 15 15 PHE CB C 15 39.430 39.430 38.995 0.436 18088
4350 1 11 . 1 1 15 15 PHE H H 15 7.490 7.490 7.449 0.041 18088
4351 1 11 . 1 1 16 16 HIS N N 16 118.200 118.200 117.209 0.991 18088
4352 1 11 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.388 0.832 18088
4353 1 11 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.151 -2.821 18088
4354 1 11 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.085 0.095 18088
4355 1 11 . 1 1 16 16 HIS H H 16 9.280 9.280 8.138 1.142 18088
4356 1 11 . 1 1 17 17 ALA N N 17 121.060 121.060 121.932 -0.872 18088
4357 1 11 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.889 -0.059 18088
4358 1 11 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.319 0.111 18088
4359 1 11 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.350 -0.820 18088
4360 1 11 . 1 1 17 17 ALA H H 17 8.180 8.180 7.799 0.381 18088
4361 1 11 . 1 1 18 18 HIS N N 18 112.580 112.580 116.412 -3.832 18088
4362 1 11 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.595 -0.215 18088
4363 1 11 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.994 1.436 18088
4364 1 11 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.977 0.973 18088
4365 1 11 . 1 1 18 18 HIS H H 18 7.410 7.410 7.902 -0.492 18088
4366 1 11 . 1 1 19 19 SER HA H 19 4.100 4.100 4.356 -0.256 18088
4367 1 11 . 1 1 19 19 SER CA C 19 60.250 60.250 59.163 1.087 18088
4368 1 11 . 1 1 19 19 SER CB C 19 61.700 61.700 63.418 -1.718 18088
4369 1 11 . 1 1 20 20 GLY N N 20 106.830 106.830 112.567 -5.737 18088
4370 1 11 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.698 -0.548 18088
4371 1 11 . 1 1 20 20 GLY H H 20 8.260 8.260 8.318 -0.058 18088
4372 1 11 . 1 1 21 21 LYS N N 21 120.310 120.310 124.517 -4.207 18088
4373 1 11 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.344 -0.374 18088
4374 1 11 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.819 1.681 18088
4375 1 11 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.396 0.304 18088
4376 1 11 . 1 1 21 21 LYS H H 21 7.670 7.670 7.903 -0.233 18088
4377 1 11 . 1 1 22 22 GLU N N 22 117.240 117.240 121.107 -3.867 18088
4378 1 11 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.266 0.164 18088
4379 1 11 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.606 -2.286 18088
4380 1 11 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.292 0.858 18088
4381 1 11 . 1 1 22 22 GLU H H 22 7.870 7.870 8.597 -0.727 18088
4382 1 11 . 1 1 23 23 GLY N N 23 107.910 107.910 106.655 1.255 18088
4383 1 11 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.929 0.930 18088
4384 1 11 . 1 1 23 23 GLY H H 23 8.110 8.110 8.549 -0.439 18088
4385 1 11 . 1 1 24 24 ASP N N 24 122.900 122.900 121.681 1.219 18088
4386 1 11 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.966 -0.416 18088
4387 1 11 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.573 -0.083 18088
4388 1 11 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.018 1.342 18088
4389 1 11 . 1 1 24 24 ASP H H 24 8.180 8.180 8.155 0.025 18088
4390 1 11 . 1 1 25 25 LYS N N 25 124.810 124.810 122.761 2.049 18088
4391 1 11 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.173 -0.083 18088
4392 1 11 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.033 -1.653 18088
4393 1 11 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.769 -0.819 18088
4394 1 11 . 1 1 25 25 LYS H H 25 8.440 8.440 8.739 -0.299 18088
4395 1 11 . 1 1 26 26 TYR N N 26 117.200 117.200 114.128 3.072 18088
4396 1 11 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.247 0.873 18088
4397 1 11 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.171 -2.821 18088
4398 1 11 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.416 -0.746 18088
4399 1 11 . 1 1 26 26 TYR H H 26 8.490 8.490 8.410 0.080 18088
4400 1 11 . 1 1 27 27 LYS N N 27 118.320 118.320 116.375 1.945 18088
4401 1 11 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.749 0.731 18088
4402 1 11 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.213 -0.453 18088
4403 1 11 . 1 1 27 27 LYS CB C 27 37.420 37.420 35.157 2.263 18088
4404 1 11 . 1 1 27 27 LYS H H 27 7.870 7.870 7.586 0.284 18088
4405 1 11 . 1 1 28 28 LEU N N 28 121.530 121.530 121.296 0.234 18088
4406 1 11 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.837 -0.117 18088
4407 1 11 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.093 -1.373 18088
4408 1 11 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.468 -0.088 18088
4409 1 11 . 1 1 28 28 LEU H H 28 8.840 8.840 8.209 0.631 18088
4410 1 11 . 1 1 29 29 SER N N 29 120.620 120.620 116.922 3.698 18088
4411 1 11 . 1 1 29 29 SER HA H 29 5.040 5.040 4.694 0.346 18088
4412 1 11 . 1 1 29 29 SER CA C 29 57.850 57.850 58.555 -0.705 18088
4413 1 11 . 1 1 29 29 SER CB C 29 64.240 64.240 63.734 0.506 18088
4414 1 11 . 1 1 29 29 SER H H 29 8.940 8.940 8.486 0.454 18088
4415 1 11 . 1 1 30 30 LYS N N 30 124.390 124.390 122.177 2.213 18088
4416 1 11 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.088 -0.228 18088
4417 1 11 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.842 1.618 18088
4418 1 11 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.838 -1.018 18088
4419 1 11 . 1 1 30 30 LYS H H 30 8.810 8.810 8.043 0.767 18088
4420 1 11 . 1 1 31 31 LYS N N 31 120.250 120.250 119.525 0.725 18088
4421 1 11 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.910 0.260 18088
4422 1 11 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.542 -0.252 18088
4423 1 11 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.825 0.645 18088
4424 1 11 . 1 1 31 31 LYS H H 31 8.740 8.740 8.075 0.665 18088
4425 1 11 . 1 1 32 32 GLU N N 32 121.570 121.570 118.961 2.609 18088
4426 1 11 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.116 -0.036 18088
4427 1 11 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.531 -0.251 18088
4428 1 11 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.990 0.250 18088
4429 1 11 . 1 1 32 32 GLU H H 32 7.790 7.790 8.633 -0.843 18088
4430 1 11 . 1 1 33 33 LEU N N 33 121.720 121.720 121.421 0.299 18088
4431 1 11 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.059 -0.059 18088
4432 1 11 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.423 -0.233 18088
4433 1 11 . 1 1 33 33 LEU CB C 33 40.480 40.480 41.928 -1.448 18088
4434 1 11 . 1 1 33 33 LEU H H 33 8.890 8.890 8.066 0.824 18088
4435 1 11 . 1 1 34 34 LYS N N 34 120.420 120.420 119.442 0.978 18088
4436 1 11 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.795 -0.175 18088
4437 1 11 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.574 0.266 18088
4438 1 11 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.021 -0.271 18088
4439 1 11 . 1 1 34 34 LYS H H 34 8.420 8.420 7.862 0.558 18088
4440 1 11 . 1 1 35 35 GLU N N 35 117.260 117.260 119.406 -2.146 18088
4441 1 11 . 1 1 35 35 GLU HA H 35 4.070 4.070 3.933 0.137 18088
4442 1 11 . 1 1 35 35 GLU CA C 35 59.250 59.250 59.282 -0.032 18088
4443 1 11 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.679 -0.629 18088
4444 1 11 . 1 1 35 35 GLU H H 35 7.220 7.220 7.483 -0.263 18088
4445 1 11 . 1 1 36 36 LEU N N 36 122.740 122.740 120.652 2.088 18088
4446 1 11 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.731 -0.001 18088
4447 1 11 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.165 1.055 18088
4448 1 11 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.553 0.647 18088
4449 1 11 . 1 1 36 36 LEU H H 36 8.330 8.330 7.609 0.721 18088
4450 1 11 . 1 1 37 37 LEU N N 37 120.360 120.360 114.827 5.533 18088
4451 1 11 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.125 -0.445 18088
4452 1 11 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.764 0.506 18088
4453 1 11 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.137 0.363 18088
4454 1 11 . 1 1 37 37 LEU H H 37 8.790 8.790 7.338 1.452 18088
4455 1 11 . 1 1 38 38 GLN N N 38 113.560 113.560 117.907 -4.347 18088
4456 1 11 . 1 1 38 38 GLN HA H 38 3.720 3.720 3.921 -0.201 18088
4457 1 11 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.862 -0.182 18088
4458 1 11 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.338 0.422 18088
4459 1 11 . 1 1 38 38 GLN H H 38 8.100 8.100 8.605 -0.505 18088
4460 1 11 . 1 1 39 39 THR N N 39 109.810 109.810 115.518 -5.708 18088
4461 1 11 . 1 1 39 39 THR HA H 39 4.280 4.280 4.102 0.178 18088
4462 1 11 . 1 1 39 39 THR CA C 39 64.510 64.510 65.965 -1.455 18088
4463 1 11 . 1 1 39 39 THR CB C 39 69.740 69.740 68.669 1.071 18088
4464 1 11 . 1 1 39 39 THR H H 39 7.690 7.690 8.182 -0.492 18088
4465 1 11 . 1 1 40 40 GLU N N 40 118.480 118.480 120.581 -2.101 18088
4466 1 11 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.288 0.442 18088
4467 1 11 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.027 -1.337 18088
4468 1 11 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.888 0.202 18088
4469 1 11 . 1 1 40 40 GLU H H 40 9.000 9.000 7.750 1.250 18088
4470 1 11 . 1 1 41 41 LEU N N 41 120.000 120.000 120.362 -0.362 18088
4471 1 11 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.561 0.589 18088
4472 1 11 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.193 -0.952 18088
4473 1 11 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.634 0.616 18088
4474 1 11 . 1 1 41 41 LEU H H 41 7.890 7.890 7.726 0.164 18088
4475 1 11 . 1 1 42 42 SER N N 42 112.560 112.560 115.590 -3.030 18088
4476 1 11 . 1 1 42 42 SER HA H 42 3.840 3.840 4.425 -0.585 18088
4477 1 11 . 1 1 42 42 SER CA C 42 61.610 61.610 59.719 1.891 18088
4478 1 11 . 1 1 42 42 SER CB C 42 62.780 62.780 62.851 -0.071 18088
4479 1 11 . 1 1 42 42 SER H H 42 6.890 6.890 7.404 -0.514 18088
4480 1 11 . 1 1 43 43 GLY N N 43 114.540 114.540 109.432 5.108 18088
4481 1 11 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.305 -0.645 18088
4482 1 11 . 1 1 43 43 GLY H H 43 9.310 9.310 7.812 1.498 18088
4483 1 11 . 1 1 44 44 PHE N N 44 125.000 125.000 118.684 6.316 18088
4484 1 11 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.493 0.087 18088
4485 1 11 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.410 -1.800 18088
4486 1 11 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.696 -2.236 18088
4487 1 11 . 1 1 44 44 PHE H H 44 8.400 8.400 7.422 0.978 18088
4488 1 11 . 1 1 45 45 LEU N N 45 116.880 116.880 120.626 -3.746 18088
4489 1 11 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.039 -0.529 18088
4490 1 11 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.533 -0.293 18088
4491 1 11 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.773 -0.253 18088
4492 1 11 . 1 1 45 45 LEU H H 45 8.550 8.550 7.932 0.618 18088
4493 1 11 . 1 1 46 46 ASP N N 46 119.260 119.260 120.261 -1.001 18088
4494 1 11 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.487 0.233 18088
4495 1 11 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.313 -1.183 18088
4496 1 11 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.641 0.819 18088
4497 1 11 . 1 1 46 46 ASP H H 46 7.460 7.460 7.955 -0.495 18088
4498 1 11 . 1 1 47 47 ALA N N 47 124.850 124.850 121.073 3.777 18088
4499 1 11 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.348 0.192 18088
4500 1 11 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.962 -1.272 18088
4501 1 11 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.828 0.962 18088
4502 1 11 . 1 1 47 47 ALA H H 47 7.620 7.620 7.356 0.264 18088
4503 1 11 . 1 1 48 48 GLN N N 48 116.830 116.830 117.384 -0.554 18088
4504 1 11 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.272 -0.472 18088
4505 1 11 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.739 0.412 18088
4506 1 11 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.231 0.579 18088
4507 1 11 . 1 1 48 48 GLN H H 48 7.740 7.740 7.222 0.518 18088
4508 1 11 . 1 1 49 49 LYS N N 49 121.570 121.570 120.793 0.777 18088
4509 1 11 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.509 -0.389 18088
4510 1 11 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.951 -1.121 18088
4511 1 11 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.601 -3.551 18088
4512 1 11 . 1 1 49 49 LYS H H 49 7.790 7.790 8.652 -0.862 18088
4513 1 11 . 1 1 50 50 ASP N N 50 118.910 118.910 123.220 -4.310 18088
4514 1 11 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.717 -0.027 18088
4515 1 11 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.868 -2.038 18088
4516 1 11 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.515 0.435 18088
4517 1 11 . 1 1 50 50 ASP H H 50 7.480 7.480 8.233 -0.753 18088
4518 1 11 . 1 1 51 51 VAL N N 51 122.060 122.060 123.066 -1.006 18088
4519 1 11 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.636 0.264 18088
4520 1 11 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.447 -0.717 18088
4521 1 11 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.437 0.513 18088
4522 1 11 . 1 1 51 51 VAL H H 51 7.820 7.820 8.591 -0.771 18088
4523 1 11 . 1 1 52 52 ASP N N 52 120.090 120.090 120.186 -0.096 18088
4524 1 11 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.330 0.050 18088
4525 1 11 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.549 -0.289 18088
4526 1 11 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.997 0.583 18088
4527 1 11 . 1 1 52 52 ASP H H 52 8.190 8.190 8.422 -0.232 18088
4528 1 11 . 1 1 53 53 ALA N N 53 122.110 122.110 122.171 -0.061 18088
4529 1 11 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.258 -0.218 18088
4530 1 11 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.872 -0.272 18088
4531 1 11 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.792 -0.112 18088
4532 1 11 . 1 1 53 53 ALA H H 53 7.620 7.620 8.527 -0.907 18088
4533 1 11 . 1 1 54 54 VAL N N 54 118.070 118.070 117.402 0.668 18088
4534 1 11 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.676 -0.256 18088
4535 1 11 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.674 -0.334 18088
4536 1 11 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.288 0.722 18088
4537 1 11 . 1 1 54 54 VAL H H 54 7.380 7.380 7.627 -0.247 18088
4538 1 11 . 1 1 55 55 ASP N N 55 119.590 119.590 118.774 0.816 18088
4539 1 11 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.555 -0.245 18088
4540 1 11 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.242 1.128 18088
4541 1 11 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.076 -0.116 18088
4542 1 11 . 1 1 55 55 ASP H H 55 8.500 8.500 8.235 0.265 18088
4543 1 11 . 1 1 56 56 LYS N N 56 118.010 118.010 120.381 -2.371 18088
4544 1 11 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.135 -0.195 18088
4545 1 11 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.205 0.555 18088
4546 1 11 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.760 -0.250 18088
4547 1 11 . 1 1 56 56 LYS H H 56 7.970 7.970 7.411 0.559 18088
4548 1 11 . 1 1 57 57 VAL N N 57 119.390 119.390 119.859 -0.469 18088
4549 1 11 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.678 0.032 18088
4550 1 11 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.755 0.285 18088
4551 1 11 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.609 0.491 18088
4552 1 11 . 1 1 57 57 VAL H H 57 7.310 7.310 7.810 -0.500 18088
4553 1 11 . 1 1 58 58 MET N N 58 116.040 116.040 116.793 -0.753 18088
4554 1 11 . 1 1 58 58 MET HA H 58 4.120 4.120 4.040 0.080 18088
4555 1 11 . 1 1 58 58 MET CA C 58 57.430 57.430 59.157 -1.727 18088
4556 1 11 . 1 1 58 58 MET CB C 58 31.260 31.260 32.032 -0.773 18088
4557 1 11 . 1 1 58 58 MET H H 58 8.370 8.370 7.534 0.836 18088
4558 1 11 . 1 1 59 59 LYS N N 59 118.900 118.900 119.067 -0.167 18088
4559 1 11 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.013 0.057 18088
4560 1 11 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.235 -0.105 18088
4561 1 11 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.089 0.301 18088
4562 1 11 . 1 1 59 59 LYS H H 59 8.600 8.600 7.738 0.862 18088
4563 1 11 . 1 1 60 60 GLU N N 60 119.880 119.880 119.205 0.675 18088
4564 1 11 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.079 -0.039 18088
4565 1 11 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.057 0.473 18088
4566 1 11 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.756 -1.206 18088
4567 1 11 . 1 1 60 60 GLU H H 60 7.430 7.430 7.646 -0.216 18088
4568 1 11 . 1 1 61 61 LEU N N 61 116.900 116.900 117.411 -0.511 18088
4569 1 11 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.220 -0.280 18088
4570 1 11 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.046 0.164 18088
4571 1 11 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.917 -1.387 18088
4572 1 11 . 1 1 61 61 LEU H H 61 7.600 7.600 7.448 0.152 18088
4573 1 11 . 1 1 62 62 ASP N N 62 115.990 115.990 120.610 -4.620 18088
4574 1 11 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.326 0.144 18088
4575 1 11 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.744 -1.624 18088
4576 1 11 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.996 0.534 18088
4577 1 11 . 1 1 62 62 ASP H H 62 7.590 7.590 8.307 -0.717 18088
4578 1 11 . 1 1 63 63 GLU N N 63 118.920 118.920 116.044 2.876 18088
4579 1 11 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.310 -0.200 18088
4580 1 11 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.772 0.258 18088
4581 1 11 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.667 0.333 18088
4582 1 11 . 1 1 63 63 GLU H H 63 8.120 8.120 7.830 0.290 18088
4583 1 11 . 1 1 64 64 ASN N N 64 117.750 117.750 118.083 -0.333 18088
4584 1 11 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.977 0.193 18088
4585 1 11 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.680 -0.810 18088
4586 1 11 . 1 1 64 64 ASN CB C 64 38.610 38.610 39.558 -0.948 18088
4587 1 11 . 1 1 64 64 ASN H H 64 7.730 7.730 7.983 -0.253 18088
4588 1 11 . 1 1 65 65 GLY N N 65 107.100 107.100 110.142 -3.042 18088
4589 1 11 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.258 0.622 18088
4590 1 11 . 1 1 65 65 GLY H H 65 7.750 7.750 7.713 0.037 18088
4591 1 11 . 1 1 66 66 ASP N N 66 115.630 115.630 120.296 -4.666 18088
4592 1 11 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.631 0.199 18088
4593 1 11 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.881 -0.831 18088
4594 1 11 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.751 -0.190 18088
4595 1 11 . 1 1 66 66 ASP H H 66 8.320 8.320 8.505 -0.185 18088
4596 1 11 . 1 1 67 67 GLY N N 67 109.240 109.240 108.101 1.139 18088
4597 1 11 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.689 0.101 18088
4598 1 11 . 1 1 67 67 GLY H H 67 8.260 8.260 7.734 0.526 18088
4599 1 11 . 1 1 68 68 GLU N N 68 117.540 117.540 117.588 -0.048 18088
4600 1 11 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.663 0.587 18088
4601 1 11 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.476 -0.506 18088
4602 1 11 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.520 0.370 18088
4603 1 11 . 1 1 68 68 GLU H H 68 8.500 8.500 8.241 0.259 18088
4604 1 11 . 1 1 69 69 VAL N N 69 115.550 115.550 120.822 -5.272 18088
4605 1 11 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.383 0.577 18088
4606 1 11 . 1 1 69 69 VAL CA C 69 59.070 59.070 60.262 -1.192 18088
4607 1 11 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.755 -0.745 18088
4608 1 11 . 1 1 69 69 VAL H H 69 9.190 9.190 8.351 0.839 18088
4609 1 11 . 1 1 70 70 ASP N N 70 121.130 121.130 120.231 0.899 18088
4610 1 11 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.025 0.535 18088
4611 1 11 . 1 1 70 70 ASP CA C 70 51.000 51.000 53.203 -2.203 18088
4612 1 11 . 1 1 70 70 ASP CB C 70 42.670 42.670 43.288 -0.618 18088
4613 1 11 . 1 1 70 70 ASP H H 70 8.320 8.320 8.202 0.118 18088
4614 1 11 . 1 1 71 71 PHE N N 71 119.290 119.290 121.366 -2.076 18088
4615 1 11 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.213 -0.743 18088
4616 1 11 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.687 -0.227 18088
4617 1 11 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.293 0.937 18088
4618 1 11 . 1 1 71 71 PHE H H 71 9.480 9.480 8.725 0.755 18088
4619 1 11 . 1 1 72 72 GLN N N 72 116.810 116.810 118.169 -1.359 18088
4620 1 11 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.911 -0.501 18088
4621 1 11 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.470 1.180 18088
4622 1 11 . 1 1 72 72 GLN CB C 72 28.730 28.730 27.987 0.743 18088
4623 1 11 . 1 1 72 72 GLN H H 72 8.140 8.140 8.747 -0.607 18088
4624 1 11 . 1 1 73 73 GLU N N 73 119.590 119.590 118.853 0.737 18088
4625 1 11 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.081 -0.121 18088
4626 1 11 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.091 1.039 18088
4627 1 11 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.397 0.793 18088
4628 1 11 . 1 1 73 73 GLU H H 73 8.260 8.260 7.580 0.680 18088
4629 1 11 . 1 1 74 74 TYR N N 74 122.520 122.520 120.724 1.796 18088
4630 1 11 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.022 0.308 18088
4631 1 11 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.258 -1.138 18088
4632 1 11 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.220 -1.510 18088
4633 1 11 . 1 1 74 74 TYR H H 74 8.240 8.240 7.465 0.775 18088
4634 1 11 . 1 1 75 75 VAL N N 75 120.300 120.300 117.794 2.506 18088
4635 1 11 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.447 -0.797 18088
4636 1 11 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.382 0.498 18088
4637 1 11 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.723 -1.293 18088
4638 1 11 . 1 1 75 75 VAL H H 75 7.980 7.980 7.426 0.554 18088
4639 1 11 . 1 1 76 76 VAL N N 76 119.180 119.180 119.128 0.052 18088
4640 1 11 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.543 -0.213 18088
4641 1 11 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.173 0.477 18088
4642 1 11 . 1 1 76 76 VAL CB C 76 31.590 31.590 30.731 0.859 18088
4643 1 11 . 1 1 76 76 VAL H H 76 7.560 7.560 7.227 0.333 18088
4644 1 11 . 1 1 77 77 LEU N N 77 121.440 121.440 117.937 3.503 18088
4645 1 11 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.022 0.118 18088
4646 1 11 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.228 0.952 18088
4647 1 11 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.559 0.391 18088
4648 1 11 . 1 1 77 77 LEU H H 77 7.740 7.740 7.419 0.321 18088
4649 1 11 . 1 1 78 78 VAL N N 78 119.220 119.220 116.181 3.039 18088
4650 1 11 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.440 0.000 18088
4651 1 11 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.288 1.842 18088
4652 1 11 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.254 0.056 18088
4653 1 11 . 1 1 78 78 VAL H H 78 8.320 8.320 7.526 0.794 18088
4654 1 11 . 1 1 79 79 ALA N N 79 124.780 124.780 121.473 3.307 18088
4655 1 11 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.119 -0.109 18088
4656 1 11 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.935 1.925 18088
4657 1 11 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.596 -0.636 18088
4658 1 11 . 1 1 79 79 ALA H H 79 9.000 9.000 8.172 0.828 18088
4659 1 11 . 1 1 80 80 ALA N N 80 121.760 121.760 121.286 0.474 18088
4660 1 11 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.948 -0.028 18088
4661 1 11 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.601 0.569 18088
4662 1 11 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.211 -0.731 18088
4663 1 11 . 1 1 80 80 ALA H H 80 8.240 8.240 7.441 0.799 18088
4664 1 11 . 1 1 81 81 LEU N N 81 118.310 118.310 117.448 0.862 18088
4665 1 11 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.067 -0.417 18088
4666 1 11 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.169 0.141 18088
4667 1 11 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.993 -1.343 18088
4668 1 11 . 1 1 81 81 LEU H H 81 7.920 7.920 7.413 0.507 18088
4669 1 11 . 1 1 82 82 THR N N 82 116.240 116.240 116.368 -0.128 18088
4670 1 11 . 1 1 82 82 THR HA H 82 3.710 3.710 3.913 -0.203 18088
4671 1 11 . 1 1 82 82 THR CA C 82 68.770 68.770 66.340 2.430 18088
4672 1 11 . 1 1 82 82 THR CB C 82 67.420 67.420 68.618 -1.198 18088
4673 1 11 . 1 1 82 82 THR H H 82 8.120 8.120 7.581 0.539 18088
4674 1 11 . 1 1 83 83 VAL N N 83 120.000 120.000 113.446 6.554 18088
4675 1 11 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.394 -0.364 18088
4676 1 11 . 1 1 83 83 VAL CA C 83 64.950 64.950 60.607 4.343 18088
4677 1 11 . 1 1 83 83 VAL CB C 83 30.850 30.850 30.374 0.476 18088
4678 1 11 . 1 1 83 83 VAL H H 83 7.780 7.780 7.319 0.461 18088
4679 1 11 . 1 1 87 87 ASN N N 87 124.810 124.810 117.902 6.908 18088
4680 1 11 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.230 -0.000 18088
4681 1 11 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.281 1.749 18088
4682 1 11 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.214 0.056 18088
4683 1 11 . 1 1 87 87 ASN H H 87 9.130 9.130 7.682 1.448 18088
4684 1 11 . 1 1 88 88 PHE N N 88 120.680 120.680 117.039 3.641 18088
4685 1 11 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.095 -0.005 18088
4686 1 11 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.537 1.293 18088
4687 1 11 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.980 0.330 18088
4688 1 11 . 1 1 88 88 PHE H H 88 8.650 8.650 7.453 1.197 18088
4689 1 11 . 1 1 89 89 PHE N N 89 112.580 112.580 114.360 -1.780 18088
4690 1 11 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.633 -0.833 18088
4691 1 11 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.624 1.286 18088
4692 1 11 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.816 -1.936 18088
4693 1 11 . 1 1 89 89 PHE H H 89 7.410 7.410 7.271 0.139 18088
4694 1 11 . 1 1 90 90 TRP N N 90 118.690 118.690 120.757 -2.067 18088
4695 1 11 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.581 0.009 18088
4696 1 11 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.852 -0.552 18088
4697 1 11 . 1 1 90 90 TRP CB C 90 31.180 31.180 28.396 2.784 18088
4698 1 11 . 1 1 90 90 TRP H H 90 7.370 7.370 7.583 -0.213 18088
4699 1 11 . 1 1 91 91 GLU N N 91 121.380 121.380 119.376 2.004 18088
4700 1 11 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.380 -0.040 18088
4701 1 11 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.406 0.064 18088
4702 1 11 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.080 -0.650 18088
4703 1 11 . 1 1 91 91 GLU H H 91 7.820 7.820 7.565 0.255 18088
4704 1 11 . 1 1 92 92 ASN N N 92 120.640 120.640 124.169 -3.529 18088
4705 1 11 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.697 0.103 18088
4706 1 11 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.426 0.114 18088
4707 1 11 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.376 0.604 18088
4708 1 11 . 1 1 92 92 ASN H H 92 8.560 8.560 8.679 -0.119 18088
4709 1 12 . 1 1 2 2 SER N N 2 118.720 118.720 116.334 2.386 18088
4710 1 12 . 1 1 2 2 SER HA H 2 4.690 4.690 4.635 0.055 18088
4711 1 12 . 1 1 2 2 SER CA C 2 57.270 57.270 57.537 -0.267 18088
4712 1 12 . 1 1 2 2 SER CB C 2 65.140 65.140 65.307 -0.167 18088
4713 1 12 . 1 1 2 2 SER H H 2 9.270 9.270 8.374 0.896 18088
4714 1 12 . 1 1 3 3 GLU N N 3 122.920 122.920 122.455 0.465 18088
4715 1 12 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.106 0.014 18088
4716 1 12 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.509 0.981 18088
4717 1 12 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.648 -0.678 18088
4718 1 12 . 1 1 3 3 GLU H H 3 9.260 9.260 9.059 0.201 18088
4719 1 12 . 1 1 4 4 LEU N N 4 121.140 121.140 116.756 4.384 18088
4720 1 12 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.151 -0.111 18088
4721 1 12 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.090 -0.030 18088
4722 1 12 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.428 0.762 18088
4723 1 12 . 1 1 4 4 LEU H H 4 8.920 8.920 7.739 1.181 18088
4724 1 12 . 1 1 5 5 GLU N N 5 118.710 118.710 120.278 -1.568 18088
4725 1 12 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.077 -0.797 18088
4726 1 12 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.495 0.175 18088
4727 1 12 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.483 -0.333 18088
4728 1 12 . 1 1 5 5 GLU H H 5 7.880 7.880 7.452 0.428 18088
4729 1 12 . 1 1 6 6 THR N N 6 116.050 116.050 117.118 -1.068 18088
4730 1 12 . 1 1 6 6 THR HA H 6 4.020 4.020 4.002 0.018 18088
4731 1 12 . 1 1 6 6 THR CA C 6 66.580 66.580 66.339 0.241 18088
4732 1 12 . 1 1 6 6 THR CB C 6 68.620 68.620 68.875 -0.255 18088
4733 1 12 . 1 1 6 6 THR H H 6 8.440 8.440 7.780 0.660 18088
4734 1 12 . 1 1 7 7 ALA N N 7 125.840 125.840 125.413 0.427 18088
4735 1 12 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.039 0.241 18088
4736 1 12 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.086 0.514 18088
4737 1 12 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.408 -0.338 18088
4738 1 12 . 1 1 7 7 ALA H H 7 8.320 8.320 8.063 0.257 18088
4739 1 12 . 1 1 8 8 MET N N 8 115.330 115.330 116.810 -1.480 18088
4740 1 12 . 1 1 8 8 MET HA H 8 4.860 4.860 4.145 0.715 18088
4741 1 12 . 1 1 8 8 MET CA C 8 56.510 56.510 57.689 -1.179 18088
4742 1 12 . 1 1 8 8 MET CB C 8 28.930 28.930 31.078 -2.148 18088
4743 1 12 . 1 1 8 8 MET H H 8 8.150 8.150 7.616 0.534 18088
4744 1 12 . 1 1 9 9 GLU N N 9 120.410 120.410 118.524 1.886 18088
4745 1 12 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.034 0.126 18088
4746 1 12 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.615 0.335 18088
4747 1 12 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.748 -0.928 18088
4748 1 12 . 1 1 9 9 GLU H H 9 8.760 8.760 7.715 1.045 18088
4749 1 12 . 1 1 10 10 THR N N 10 118.820 118.820 114.636 4.184 18088
4750 1 12 . 1 1 10 10 THR HA H 10 4.130 4.130 4.109 0.021 18088
4751 1 12 . 1 1 10 10 THR CA C 10 67.180 67.180 65.876 1.304 18088
4752 1 12 . 1 1 10 10 THR CB C 10 67.770 67.770 68.479 -0.709 18088
4753 1 12 . 1 1 10 10 THR H H 10 8.510 8.510 8.182 0.328 18088
4754 1 12 . 1 1 11 11 LEU N N 11 121.840 121.840 122.401 -0.561 18088
4755 1 12 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.305 -0.225 18088
4756 1 12 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.674 2.576 18088
4757 1 12 . 1 1 11 11 LEU CB C 11 41.900 41.900 40.773 1.127 18088
4758 1 12 . 1 1 11 11 LEU H H 11 8.380 8.380 7.682 0.698 18088
4759 1 12 . 1 1 12 12 ILE N N 12 121.310 121.310 119.697 1.613 18088
4760 1 12 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.486 0.054 18088
4761 1 12 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.392 0.728 18088
4762 1 12 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.223 1.117 18088
4763 1 12 . 1 1 12 12 ILE H H 12 8.520 8.520 7.509 1.011 18088
4764 1 12 . 1 1 13 13 ASN N N 13 120.570 120.570 118.037 2.533 18088
4765 1 12 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.452 -0.082 18088
4766 1 12 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.702 -0.161 18088
4767 1 12 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.364 -0.454 18088
4768 1 12 . 1 1 13 13 ASN H H 13 8.700 8.700 7.714 0.986 18088
4769 1 12 . 1 1 14 14 VAL N N 14 122.040 122.040 119.998 2.042 18088
4770 1 12 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.719 0.161 18088
4771 1 12 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.707 -0.197 18088
4772 1 12 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.728 0.092 18088
4773 1 12 . 1 1 14 14 VAL H H 14 8.900 8.900 7.311 1.589 18088
4774 1 12 . 1 1 15 15 PHE N N 15 120.410 120.410 119.113 1.297 18088
4775 1 12 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.737 -0.157 18088
4776 1 12 . 1 1 15 15 PHE CA C 15 62.380 62.380 60.778 1.602 18088
4777 1 12 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.005 0.425 18088
4778 1 12 . 1 1 15 15 PHE H H 15 7.490 7.490 7.354 0.136 18088
4779 1 12 . 1 1 16 16 HIS N N 16 118.200 118.200 119.174 -0.974 18088
4780 1 12 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.212 1.008 18088
4781 1 12 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.123 -1.793 18088
4782 1 12 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.992 0.188 18088
4783 1 12 . 1 1 16 16 HIS H H 16 9.280 9.280 7.990 1.290 18088
4784 1 12 . 1 1 17 17 ALA N N 17 121.060 121.060 120.947 0.113 18088
4785 1 12 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.991 -0.161 18088
4786 1 12 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.594 0.836 18088
4787 1 12 . 1 1 17 17 ALA CB C 17 17.530 17.530 19.085 -1.555 18088
4788 1 12 . 1 1 17 17 ALA H H 17 8.180 8.180 7.757 0.423 18088
4789 1 12 . 1 1 18 18 HIS N N 18 112.580 112.580 112.014 0.566 18088
4790 1 12 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.609 -0.229 18088
4791 1 12 . 1 1 18 18 HIS CA C 18 56.430 56.430 53.618 2.812 18088
4792 1 12 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.848 1.102 18088
4793 1 12 . 1 1 18 18 HIS H H 18 7.410 7.410 6.821 0.589 18088
4794 1 12 . 1 1 19 19 SER HA H 19 4.100 4.100 3.797 0.303 18088
4795 1 12 . 1 1 19 19 SER CA C 19 60.250 60.250 59.548 0.702 18088
4796 1 12 . 1 1 19 19 SER CB C 19 61.700 61.700 63.432 -1.732 18088
4797 1 12 . 1 1 20 20 GLY N N 20 106.830 106.830 114.936 -8.106 18088
4798 1 12 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.113 0.037 18088
4799 1 12 . 1 1 20 20 GLY H H 20 8.260 8.260 8.093 0.167 18088
4800 1 12 . 1 1 21 21 LYS N N 21 120.310 120.310 122.999 -2.689 18088
4801 1 12 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.353 -0.383 18088
4802 1 12 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.817 1.683 18088
4803 1 12 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.513 0.187 18088
4804 1 12 . 1 1 21 21 LYS H H 21 7.670 7.670 8.291 -0.621 18088
4805 1 12 . 1 1 22 22 GLU N N 22 117.240 117.240 121.245 -4.005 18088
4806 1 12 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.243 0.187 18088
4807 1 12 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.730 -2.410 18088
4808 1 12 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.192 0.958 18088
4809 1 12 . 1 1 22 22 GLU H H 22 7.870 7.870 8.622 -0.752 18088
4810 1 12 . 1 1 23 23 GLY N N 23 107.910 107.910 106.390 1.520 18088
4811 1 12 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.819 1.041 18088
4812 1 12 . 1 1 23 23 GLY H H 23 8.110 8.110 8.415 -0.305 18088
4813 1 12 . 1 1 24 24 ASP N N 24 122.900 122.900 120.534 2.366 18088
4814 1 12 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.886 -0.336 18088
4815 1 12 . 1 1 24 24 ASP CA C 24 53.490 53.490 52.496 0.994 18088
4816 1 12 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.115 0.244 18088
4817 1 12 . 1 1 24 24 ASP H H 24 8.180 8.180 8.024 0.156 18088
4818 1 12 . 1 1 25 25 LYS N N 25 124.810 124.810 124.210 0.600 18088
4819 1 12 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.398 -0.308 18088
4820 1 12 . 1 1 25 25 LYS CA C 25 57.380 57.380 57.396 -0.016 18088
4821 1 12 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.778 -0.828 18088
4822 1 12 . 1 1 25 25 LYS H H 25 8.440 8.440 8.772 -0.332 18088
4823 1 12 . 1 1 26 26 TYR N N 26 117.200 117.200 116.317 0.883 18088
4824 1 12 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.687 0.433 18088
4825 1 12 . 1 1 26 26 TYR CA C 26 57.350 57.350 58.613 -1.263 18088
4826 1 12 . 1 1 26 26 TYR CB C 26 37.670 37.670 39.009 -1.339 18088
4827 1 12 . 1 1 26 26 TYR H H 26 8.490 8.490 8.471 0.019 18088
4828 1 12 . 1 1 27 27 LYS N N 27 118.320 118.320 117.981 0.339 18088
4829 1 12 . 1 1 27 27 LYS HA H 27 5.480 5.480 5.039 0.441 18088
4830 1 12 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.248 -0.488 18088
4831 1 12 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.542 0.878 18088
4832 1 12 . 1 1 27 27 LYS H H 27 7.870 7.870 7.464 0.406 18088
4833 1 12 . 1 1 28 28 LEU N N 28 121.530 121.530 122.656 -1.126 18088
4834 1 12 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.791 -0.071 18088
4835 1 12 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.519 -0.799 18088
4836 1 12 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.429 -0.049 18088
4837 1 12 . 1 1 28 28 LEU H H 28 8.840 8.840 8.251 0.589 18088
4838 1 12 . 1 1 29 29 SER N N 29 120.620 120.620 116.729 3.891 18088
4839 1 12 . 1 1 29 29 SER HA H 29 5.040 5.040 4.549 0.491 18088
4840 1 12 . 1 1 29 29 SER CA C 29 57.850 57.850 57.526 0.323 18088
4841 1 12 . 1 1 29 29 SER CB C 29 64.240 64.240 63.906 0.334 18088
4842 1 12 . 1 1 29 29 SER H H 29 8.940 8.940 8.697 0.243 18088
4843 1 12 . 1 1 30 30 LYS N N 30 124.390 124.390 121.369 3.021 18088
4844 1 12 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.156 -0.296 18088
4845 1 12 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.936 1.524 18088
4846 1 12 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.506 -0.686 18088
4847 1 12 . 1 1 30 30 LYS H H 30 8.810 8.810 8.920 -0.110 18088
4848 1 12 . 1 1 31 31 LYS N N 31 120.250 120.250 119.387 0.863 18088
4849 1 12 . 1 1 31 31 LYS HA H 31 4.170 4.170 4.001 0.169 18088
4850 1 12 . 1 1 31 31 LYS CA C 31 59.290 59.290 60.057 -0.767 18088
4851 1 12 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.899 0.571 18088
4852 1 12 . 1 1 31 31 LYS H H 31 8.740 8.740 7.591 1.149 18088
4853 1 12 . 1 1 32 32 GLU N N 32 121.570 121.570 119.819 1.751 18088
4854 1 12 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.123 -0.043 18088
4855 1 12 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.532 -0.253 18088
4856 1 12 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.013 0.227 18088
4857 1 12 . 1 1 32 32 GLU H H 32 7.790 7.790 8.432 -0.642 18088
4858 1 12 . 1 1 33 33 LEU N N 33 121.720 121.720 121.021 0.699 18088
4859 1 12 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.082 -0.082 18088
4860 1 12 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.176 0.014 18088
4861 1 12 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.206 -1.726 18088
4862 1 12 . 1 1 33 33 LEU H H 33 8.890 8.890 7.400 1.490 18088
4863 1 12 . 1 1 34 34 LYS N N 34 120.420 120.420 119.629 0.791 18088
4864 1 12 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.810 -0.190 18088
4865 1 12 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.485 0.355 18088
4866 1 12 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.163 -0.412 18088
4867 1 12 . 1 1 34 34 LYS H H 34 8.420 8.420 7.751 0.669 18088
4868 1 12 . 1 1 35 35 GLU N N 35 117.260 117.260 117.669 -0.409 18088
4869 1 12 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.106 -0.036 18088
4870 1 12 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.348 0.902 18088
4871 1 12 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.831 -0.781 18088
4872 1 12 . 1 1 35 35 GLU H H 35 7.220 7.220 7.574 -0.354 18088
4873 1 12 . 1 1 36 36 LEU N N 36 122.740 122.740 121.330 1.410 18088
4874 1 12 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.987 -0.257 18088
4875 1 12 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.026 1.194 18088
4876 1 12 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.279 0.921 18088
4877 1 12 . 1 1 36 36 LEU H H 36 8.330 8.330 7.405 0.925 18088
4878 1 12 . 1 1 37 37 LEU N N 37 120.360 120.360 115.571 4.789 18088
4879 1 12 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.134 -0.454 18088
4880 1 12 . 1 1 37 37 LEU CA C 37 58.270 58.270 58.050 0.220 18088
4881 1 12 . 1 1 37 37 LEU CB C 37 41.500 41.500 40.979 0.521 18088
4882 1 12 . 1 1 37 37 LEU H H 37 8.790 8.790 7.723 1.067 18088
4883 1 12 . 1 1 38 38 GLN N N 38 113.560 113.560 116.772 -3.212 18088
4884 1 12 . 1 1 38 38 GLN HA H 38 3.720 3.720 3.941 -0.221 18088
4885 1 12 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.679 0.001 18088
4886 1 12 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.162 0.598 18088
4887 1 12 . 1 1 38 38 GLN H H 38 8.100 8.100 7.845 0.255 18088
4888 1 12 . 1 1 39 39 THR N N 39 109.810 109.810 115.323 -5.513 18088
4889 1 12 . 1 1 39 39 THR HA H 39 4.280 4.280 4.172 0.108 18088
4890 1 12 . 1 1 39 39 THR CA C 39 64.510 64.510 65.968 -1.458 18088
4891 1 12 . 1 1 39 39 THR CB C 39 69.740 69.740 68.710 1.030 18088
4892 1 12 . 1 1 39 39 THR H H 39 7.690 7.690 7.479 0.211 18088
4893 1 12 . 1 1 40 40 GLU N N 40 118.480 118.480 121.656 -3.176 18088
4894 1 12 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.221 0.509 18088
4895 1 12 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.761 -2.071 18088
4896 1 12 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.951 0.139 18088
4897 1 12 . 1 1 40 40 GLU H H 40 9.000 9.000 7.760 1.240 18088
4898 1 12 . 1 1 41 41 LEU N N 41 120.000 120.000 120.052 -0.052 18088
4899 1 12 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.555 0.595 18088
4900 1 12 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.042 -0.802 18088
4901 1 12 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.517 0.733 18088
4902 1 12 . 1 1 41 41 LEU H H 41 7.890 7.890 8.135 -0.245 18088
4903 1 12 . 1 1 42 42 SER N N 42 112.560 112.560 117.283 -4.723 18088
4904 1 12 . 1 1 42 42 SER HA H 42 3.840 3.840 4.284 -0.444 18088
4905 1 12 . 1 1 42 42 SER CA C 42 61.610 61.610 61.092 0.518 18088
4906 1 12 . 1 1 42 42 SER CB C 42 62.780 62.780 63.043 -0.263 18088
4907 1 12 . 1 1 42 42 SER H H 42 6.890 6.890 7.639 -0.749 18088
4908 1 12 . 1 1 43 43 GLY N N 43 114.540 114.540 108.634 5.906 18088
4909 1 12 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.370 -0.710 18088
4910 1 12 . 1 1 43 43 GLY H H 43 9.310 9.310 8.257 1.053 18088
4911 1 12 . 1 1 44 44 PHE N N 44 125.000 125.000 117.991 7.009 18088
4912 1 12 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.485 0.095 18088
4913 1 12 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.498 -1.888 18088
4914 1 12 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.953 -2.493 18088
4915 1 12 . 1 1 44 44 PHE H H 44 8.400 8.400 7.546 0.854 18088
4916 1 12 . 1 1 45 45 LEU N N 45 116.880 116.880 119.716 -2.836 18088
4917 1 12 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.142 -0.632 18088
4918 1 12 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.181 0.059 18088
4919 1 12 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.938 -0.418 18088
4920 1 12 . 1 1 45 45 LEU H H 45 8.550 8.550 8.037 0.513 18088
4921 1 12 . 1 1 46 46 ASP N N 46 119.260 119.260 119.501 -0.241 18088
4922 1 12 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.405 0.315 18088
4923 1 12 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.637 -1.507 18088
4924 1 12 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.502 0.958 18088
4925 1 12 . 1 1 46 46 ASP H H 46 7.460 7.460 8.028 -0.568 18088
4926 1 12 . 1 1 47 47 ALA N N 47 124.850 124.850 121.029 3.821 18088
4927 1 12 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.299 0.241 18088
4928 1 12 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.895 -1.206 18088
4929 1 12 . 1 1 47 47 ALA CB C 47 18.790 18.790 18.255 0.535 18088
4930 1 12 . 1 1 47 47 ALA H H 47 7.620 7.620 7.580 0.040 18088
4931 1 12 . 1 1 48 48 GLN N N 48 116.830 116.830 117.413 -0.583 18088
4932 1 12 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.204 -0.404 18088
4933 1 12 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.533 0.617 18088
4934 1 12 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.264 0.546 18088
4935 1 12 . 1 1 48 48 GLN H H 48 7.740 7.740 7.272 0.468 18088
4936 1 12 . 1 1 49 49 LYS N N 49 121.570 121.570 121.155 0.415 18088
4937 1 12 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.517 -0.397 18088
4938 1 12 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.831 -1.001 18088
4939 1 12 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.391 -3.341 18088
4940 1 12 . 1 1 49 49 LYS H H 49 7.790 7.790 8.235 -0.445 18088
4941 1 12 . 1 1 50 50 ASP N N 50 118.910 118.910 124.328 -5.418 18088
4942 1 12 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.694 -0.004 18088
4943 1 12 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.983 -2.154 18088
4944 1 12 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.858 0.091 18088
4945 1 12 . 1 1 50 50 ASP H H 50 7.480 7.480 8.149 -0.669 18088
4946 1 12 . 1 1 51 51 VAL N N 51 122.060 122.060 124.160 -2.100 18088
4947 1 12 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.575 0.325 18088
4948 1 12 . 1 1 51 51 VAL CA C 51 64.730 64.730 66.613 -1.883 18088
4949 1 12 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.382 0.568 18088
4950 1 12 . 1 1 51 51 VAL H H 51 7.820 7.820 8.934 -1.114 18088
4951 1 12 . 1 1 52 52 ASP N N 52 120.090 120.090 119.681 0.409 18088
4952 1 12 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.312 0.068 18088
4953 1 12 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.087 0.173 18088
4954 1 12 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.424 0.156 18088
4955 1 12 . 1 1 52 52 ASP H H 52 8.190 8.190 8.583 -0.393 18088
4956 1 12 . 1 1 53 53 ALA N N 53 122.110 122.110 122.190 -0.080 18088
4957 1 12 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.234 -0.194 18088
4958 1 12 . 1 1 53 53 ALA CA C 53 54.600 54.600 55.041 -0.441 18088
4959 1 12 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.643 0.037 18088
4960 1 12 . 1 1 53 53 ALA H H 53 7.620 7.620 8.484 -0.864 18088
4961 1 12 . 1 1 54 54 VAL N N 54 118.070 118.070 118.715 -0.645 18088
4962 1 12 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.594 -0.174 18088
4963 1 12 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.589 -0.249 18088
4964 1 12 . 1 1 54 54 VAL CB C 54 32.010 32.010 32.018 -0.008 18088
4965 1 12 . 1 1 54 54 VAL H H 54 7.380 7.380 7.781 -0.401 18088
4966 1 12 . 1 1 55 55 ASP N N 55 119.590 119.590 119.621 -0.031 18088
4967 1 12 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.463 -0.153 18088
4968 1 12 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.577 -0.207 18088
4969 1 12 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.894 0.066 18088
4970 1 12 . 1 1 55 55 ASP H H 55 8.500 8.500 8.559 -0.059 18088
4971 1 12 . 1 1 56 56 LYS N N 56 118.010 118.010 120.233 -2.223 18088
4972 1 12 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.963 -0.023 18088
4973 1 12 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.446 0.314 18088
4974 1 12 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.606 -0.096 18088
4975 1 12 . 1 1 56 56 LYS H H 56 7.970 7.970 7.632 0.338 18088
4976 1 12 . 1 1 57 57 VAL N N 57 119.390 119.390 120.112 -0.722 18088
4977 1 12 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.871 -0.161 18088
4978 1 12 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.034 0.006 18088
4979 1 12 . 1 1 57 57 VAL CB C 57 32.100 32.100 32.070 0.030 18088
4980 1 12 . 1 1 57 57 VAL H H 57 7.310 7.310 8.450 -1.140 18088
4981 1 12 . 1 1 58 58 MET N N 58 116.040 116.040 117.514 -1.474 18088
4982 1 12 . 1 1 58 58 MET HA H 58 4.120 4.120 4.070 0.050 18088
4983 1 12 . 1 1 58 58 MET CA C 58 57.430 57.430 57.785 -0.355 18088
4984 1 12 . 1 1 58 58 MET CB C 58 31.260 31.260 31.785 -0.525 18088
4985 1 12 . 1 1 58 58 MET H H 58 8.370 8.370 7.707 0.663 18088
4986 1 12 . 1 1 59 59 LYS N N 59 118.900 118.900 118.637 0.263 18088
4987 1 12 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.023 0.047 18088
4988 1 12 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.140 -0.010 18088
4989 1 12 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.281 0.109 18088
4990 1 12 . 1 1 59 59 LYS H H 59 8.600 8.600 8.722 -0.122 18088
4991 1 12 . 1 1 60 60 GLU N N 60 119.880 119.880 119.476 0.404 18088
4992 1 12 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.087 -0.047 18088
4993 1 12 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.316 0.214 18088
4994 1 12 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.805 -1.255 18088
4995 1 12 . 1 1 60 60 GLU H H 60 7.430 7.430 7.731 -0.301 18088
4996 1 12 . 1 1 61 61 LEU N N 61 116.900 116.900 118.910 -2.010 18088
4997 1 12 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.086 -0.146 18088
4998 1 12 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.555 -0.345 18088
4999 1 12 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.358 -0.828 18088
5000 1 12 . 1 1 61 61 LEU H H 61 7.600 7.600 7.539 0.061 18088
5001 1 12 . 1 1 62 62 ASP N N 62 115.990 115.990 120.584 -4.594 18088
5002 1 12 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.329 0.141 18088
5003 1 12 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.167 -1.047 18088
5004 1 12 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.658 0.872 18088
5005 1 12 . 1 1 62 62 ASP H H 62 7.590 7.590 8.451 -0.861 18088
5006 1 12 . 1 1 63 63 GLU N N 63 118.920 118.920 115.833 3.087 18088
5007 1 12 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.390 -0.280 18088
5008 1 12 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.241 0.789 18088
5009 1 12 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.723 0.278 18088
5010 1 12 . 1 1 63 63 GLU H H 63 8.120 8.120 7.762 0.358 18088
5011 1 12 . 1 1 64 64 ASN N N 64 117.750 117.750 118.146 -0.396 18088
5012 1 12 . 1 1 64 64 ASN HA H 64 5.170 5.170 5.005 0.165 18088
5013 1 12 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.859 -0.989 18088
5014 1 12 . 1 1 64 64 ASN CB C 64 38.610 38.610 39.752 -1.142 18088
5015 1 12 . 1 1 64 64 ASN H H 64 7.730 7.730 8.337 -0.607 18088
5016 1 12 . 1 1 65 65 GLY N N 65 107.100 107.100 108.847 -1.747 18088
5017 1 12 . 1 1 65 65 GLY CA C 65 47.880 47.880 46.871 1.009 18088
5018 1 12 . 1 1 65 65 GLY H H 65 7.750 7.750 7.780 -0.030 18088
5019 1 12 . 1 1 66 66 ASP N N 66 115.630 115.630 119.473 -3.843 18088
5020 1 12 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.742 0.088 18088
5021 1 12 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.695 0.355 18088
5022 1 12 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.960 -0.400 18088
5023 1 12 . 1 1 66 66 ASP H H 66 8.320 8.320 7.813 0.507 18088
5024 1 12 . 1 1 67 67 GLY N N 67 109.240 109.240 108.426 0.814 18088
5025 1 12 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.244 -0.454 18088
5026 1 12 . 1 1 67 67 GLY H H 67 8.260 8.260 7.858 0.402 18088
5027 1 12 . 1 1 68 68 GLU N N 68 117.540 117.540 117.321 0.219 18088
5028 1 12 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.895 0.355 18088
5029 1 12 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.510 -0.540 18088
5030 1 12 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.007 -0.117 18088
5031 1 12 . 1 1 68 68 GLU H H 68 8.500 8.500 8.059 0.441 18088
5032 1 12 . 1 1 69 69 VAL N N 69 115.550 115.550 120.137 -4.587 18088
5033 1 12 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.714 0.246 18088
5034 1 12 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.359 -0.289 18088
5035 1 12 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.832 -0.822 18088
5036 1 12 . 1 1 69 69 VAL H H 69 9.190 9.190 9.041 0.149 18088
5037 1 12 . 1 1 70 70 ASP N N 70 121.130 121.130 120.828 0.302 18088
5038 1 12 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.801 0.759 18088
5039 1 12 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.787 -1.787 18088
5040 1 12 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.264 0.406 18088
5041 1 12 . 1 1 70 70 ASP H H 70 8.320 8.320 8.149 0.171 18088
5042 1 12 . 1 1 71 71 PHE N N 71 119.290 119.290 120.189 -0.899 18088
5043 1 12 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.919 -0.449 18088
5044 1 12 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.300 -0.840 18088
5045 1 12 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.931 0.298 18088
5046 1 12 . 1 1 71 71 PHE H H 71 9.480 9.480 8.683 0.797 18088
5047 1 12 . 1 1 72 72 GLN N N 72 116.810 116.810 119.083 -2.273 18088
5048 1 12 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.833 -0.423 18088
5049 1 12 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.414 1.236 18088
5050 1 12 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.168 0.562 18088
5051 1 12 . 1 1 72 72 GLN H H 72 8.140 8.140 8.498 -0.358 18088
5052 1 12 . 1 1 73 73 GLU N N 73 119.590 119.590 119.397 0.193 18088
5053 1 12 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.037 -0.077 18088
5054 1 12 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.569 0.561 18088
5055 1 12 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.349 0.841 18088
5056 1 12 . 1 1 73 73 GLU H H 73 8.260 8.260 8.457 -0.197 18088
5057 1 12 . 1 1 74 74 TYR N N 74 122.520 122.520 121.434 1.086 18088
5058 1 12 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.075 0.255 18088
5059 1 12 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.116 -0.996 18088
5060 1 12 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.186 -1.476 18088
5061 1 12 . 1 1 74 74 TYR H H 74 8.240 8.240 8.131 0.109 18088
5062 1 12 . 1 1 75 75 VAL N N 75 120.300 120.300 118.086 2.214 18088
5063 1 12 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.390 -0.740 18088
5064 1 12 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.505 0.375 18088
5065 1 12 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.987 -0.557 18088
5066 1 12 . 1 1 75 75 VAL H H 75 7.980 7.980 7.973 0.007 18088
5067 1 12 . 1 1 76 76 VAL N N 76 119.180 119.180 118.926 0.254 18088
5068 1 12 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.642 -0.312 18088
5069 1 12 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.003 0.647 18088
5070 1 12 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.241 0.349 18088
5071 1 12 . 1 1 76 76 VAL H H 76 7.560 7.560 8.076 -0.516 18088
5072 1 12 . 1 1 77 77 LEU N N 77 121.440 121.440 118.755 2.685 18088
5073 1 12 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.980 0.160 18088
5074 1 12 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.329 0.851 18088
5075 1 12 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.538 0.412 18088
5076 1 12 . 1 1 77 77 LEU H H 77 7.740 7.740 7.108 0.632 18088
5077 1 12 . 1 1 78 78 VAL N N 78 119.220 119.220 116.102 3.118 18088
5078 1 12 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.581 -0.141 18088
5079 1 12 . 1 1 78 78 VAL CA C 78 67.130 67.130 64.680 2.450 18088
5080 1 12 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.357 0.953 18088
5081 1 12 . 1 1 78 78 VAL H H 78 8.320 8.320 7.176 1.144 18088
5082 1 12 . 1 1 79 79 ALA N N 79 124.780 124.780 121.837 2.943 18088
5083 1 12 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.230 -0.220 18088
5084 1 12 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.904 1.956 18088
5085 1 12 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.380 -0.420 18088
5086 1 12 . 1 1 79 79 ALA H H 79 9.000 9.000 8.307 0.693 18088
5087 1 12 . 1 1 80 80 ALA N N 80 121.760 121.760 121.424 0.336 18088
5088 1 12 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.012 -0.092 18088
5089 1 12 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.562 0.608 18088
5090 1 12 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.256 -0.777 18088
5091 1 12 . 1 1 80 80 ALA H H 80 8.240 8.240 7.435 0.805 18088
5092 1 12 . 1 1 81 81 LEU N N 81 118.310 118.310 117.565 0.745 18088
5093 1 12 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.127 -0.477 18088
5094 1 12 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.376 -0.066 18088
5095 1 12 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.081 -1.431 18088
5096 1 12 . 1 1 81 81 LEU H H 81 7.920 7.920 7.474 0.446 18088
5097 1 12 . 1 1 82 82 THR N N 82 116.240 116.240 116.518 -0.278 18088
5098 1 12 . 1 1 82 82 THR HA H 82 3.710 3.710 4.012 -0.302 18088
5099 1 12 . 1 1 82 82 THR CA C 82 68.770 68.770 66.592 2.178 18088
5100 1 12 . 1 1 82 82 THR CB C 82 67.420 67.420 68.810 -1.390 18088
5101 1 12 . 1 1 82 82 THR H H 82 8.120 8.120 7.665 0.455 18088
5102 1 12 . 1 1 83 83 VAL N N 83 120.000 120.000 113.201 6.799 18088
5103 1 12 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.594 -0.564 18088
5104 1 12 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.909 3.041 18088
5105 1 12 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.355 -0.505 18088
5106 1 12 . 1 1 83 83 VAL H H 83 7.780 7.780 7.261 0.519 18088
5107 1 12 . 1 1 87 87 ASN N N 87 124.810 124.810 117.394 7.416 18088
5108 1 12 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.142 0.088 18088
5109 1 12 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.515 2.515 18088
5110 1 12 . 1 1 87 87 ASN CB C 87 38.270 38.270 37.997 0.273 18088
5111 1 12 . 1 1 87 87 ASN H H 87 9.130 9.130 7.602 1.528 18088
5112 1 12 . 1 1 88 88 PHE N N 88 120.680 120.680 113.490 7.190 18088
5113 1 12 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.013 0.077 18088
5114 1 12 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.172 1.658 18088
5115 1 12 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.602 0.708 18088
5116 1 12 . 1 1 88 88 PHE H H 88 8.650 8.650 7.160 1.490 18088
5117 1 12 . 1 1 89 89 PHE N N 89 112.580 112.580 113.642 -1.062 18088
5118 1 12 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.775 -0.975 18088
5119 1 12 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.080 1.830 18088
5120 1 12 . 1 1 89 89 PHE CB C 89 38.880 38.880 39.880 -1.000 18088
5121 1 12 . 1 1 89 89 PHE H H 89 7.410 7.410 7.059 0.351 18088
5122 1 12 . 1 1 90 90 TRP N N 90 118.690 118.690 121.009 -2.319 18088
5123 1 12 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.628 -0.038 18088
5124 1 12 . 1 1 90 90 TRP CA C 90 56.300 56.300 57.064 -0.764 18088
5125 1 12 . 1 1 90 90 TRP CB C 90 31.180 31.180 28.907 2.273 18088
5126 1 12 . 1 1 90 90 TRP H H 90 7.370 7.370 7.571 -0.201 18088
5127 1 12 . 1 1 91 91 GLU N N 91 121.380 121.380 119.649 1.731 18088
5128 1 12 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.408 -0.068 18088
5129 1 12 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.463 0.007 18088
5130 1 12 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.817 -1.387 18088
5131 1 12 . 1 1 91 91 GLU H H 91 7.820 7.820 7.736 0.084 18088
5132 1 12 . 1 1 92 92 ASN N N 92 120.640 120.640 125.062 -4.422 18088
5133 1 12 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.691 0.109 18088
5134 1 12 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.844 -0.304 18088
5135 1 12 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.541 0.439 18088
5136 1 12 . 1 1 92 92 ASN H H 92 8.560 8.560 8.682 -0.122 18088
5137 1 13 . 1 1 2 2 SER N N 2 118.720 118.720 116.559 2.161 18088
5138 1 13 . 1 1 2 2 SER HA H 2 4.690 4.690 4.688 0.002 18088
5139 1 13 . 1 1 2 2 SER CA C 2 57.270 57.270 57.642 -0.372 18088
5140 1 13 . 1 1 2 2 SER CB C 2 65.140 65.140 65.531 -0.391 18088
5141 1 13 . 1 1 2 2 SER H H 2 9.270 9.270 8.399 0.871 18088
5142 1 13 . 1 1 3 3 GLU N N 3 122.920 122.920 124.068 -1.148 18088
5143 1 13 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.074 0.046 18088
5144 1 13 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.382 1.108 18088
5145 1 13 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.556 -0.586 18088
5146 1 13 . 1 1 3 3 GLU H H 3 9.260 9.260 9.038 0.222 18088
5147 1 13 . 1 1 4 4 LEU N N 4 121.140 121.140 116.356 4.784 18088
5148 1 13 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.171 -0.131 18088
5149 1 13 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.914 0.146 18088
5150 1 13 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.085 1.105 18088
5151 1 13 . 1 1 4 4 LEU H H 4 8.920 8.920 7.865 1.055 18088
5152 1 13 . 1 1 5 5 GLU N N 5 118.710 118.710 120.089 -1.379 18088
5153 1 13 . 1 1 5 5 GLU HA H 5 3.280 3.280 3.970 -0.690 18088
5154 1 13 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.472 0.198 18088
5155 1 13 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.507 -0.357 18088
5156 1 13 . 1 1 5 5 GLU H H 5 7.880 7.880 7.862 0.018 18088
5157 1 13 . 1 1 6 6 THR N N 6 116.050 116.050 115.942 0.108 18088
5158 1 13 . 1 1 6 6 THR HA H 6 4.020 4.020 4.079 -0.059 18088
5159 1 13 . 1 1 6 6 THR CA C 6 66.580 66.580 66.248 0.332 18088
5160 1 13 . 1 1 6 6 THR CB C 6 68.620 68.620 68.409 0.211 18088
5161 1 13 . 1 1 6 6 THR H H 6 8.440 8.440 7.563 0.877 18088
5162 1 13 . 1 1 7 7 ALA N N 7 125.840 125.840 125.013 0.827 18088
5163 1 13 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.030 0.250 18088
5164 1 13 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.051 0.549 18088
5165 1 13 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.249 -0.179 18088
5166 1 13 . 1 1 7 7 ALA H H 7 8.320 8.320 7.858 0.462 18088
5167 1 13 . 1 1 8 8 MET N N 8 115.330 115.330 117.276 -1.946 18088
5168 1 13 . 1 1 8 8 MET HA H 8 4.860 4.860 4.210 0.650 18088
5169 1 13 . 1 1 8 8 MET CA C 8 56.510 56.510 56.914 -0.404 18088
5170 1 13 . 1 1 8 8 MET CB C 8 28.930 28.930 30.666 -1.736 18088
5171 1 13 . 1 1 8 8 MET H H 8 8.150 8.150 7.868 0.282 18088
5172 1 13 . 1 1 9 9 GLU N N 9 120.410 120.410 119.046 1.364 18088
5173 1 13 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.984 0.176 18088
5174 1 13 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.632 0.318 18088
5175 1 13 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.651 -0.832 18088
5176 1 13 . 1 1 9 9 GLU H H 9 8.760 8.760 7.763 0.997 18088
5177 1 13 . 1 1 10 10 THR N N 10 118.820 118.820 112.590 6.230 18088
5178 1 13 . 1 1 10 10 THR HA H 10 4.130 4.130 4.349 -0.219 18088
5179 1 13 . 1 1 10 10 THR CA C 10 67.180 67.180 65.329 1.851 18088
5180 1 13 . 1 1 10 10 THR CB C 10 67.770 67.770 68.591 -0.821 18088
5181 1 13 . 1 1 10 10 THR H H 10 8.510 8.510 7.884 0.626 18088
5182 1 13 . 1 1 11 11 LEU N N 11 121.840 121.840 122.176 -0.336 18088
5183 1 13 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.331 -0.251 18088
5184 1 13 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.883 2.367 18088
5185 1 13 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.273 0.627 18088
5186 1 13 . 1 1 11 11 LEU H H 11 8.380 8.380 7.422 0.958 18088
5187 1 13 . 1 1 12 12 ILE N N 12 121.310 121.310 118.787 2.523 18088
5188 1 13 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.800 -0.260 18088
5189 1 13 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.684 0.436 18088
5190 1 13 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.158 1.182 18088
5191 1 13 . 1 1 12 12 ILE H H 12 8.520 8.520 7.797 0.723 18088
5192 1 13 . 1 1 13 13 ASN N N 13 120.570 120.570 118.413 2.157 18088
5193 1 13 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.422 -0.052 18088
5194 1 13 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.310 0.230 18088
5195 1 13 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.039 -0.129 18088
5196 1 13 . 1 1 13 13 ASN H H 13 8.700 8.700 7.772 0.928 18088
5197 1 13 . 1 1 14 14 VAL N N 14 122.040 122.040 119.345 2.695 18088
5198 1 13 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.754 0.126 18088
5199 1 13 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.479 0.031 18088
5200 1 13 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.715 0.105 18088
5201 1 13 . 1 1 14 14 VAL H H 14 8.900 8.900 7.350 1.550 18088
5202 1 13 . 1 1 15 15 PHE N N 15 120.410 120.410 120.112 0.298 18088
5203 1 13 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.881 -0.301 18088
5204 1 13 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.411 0.969 18088
5205 1 13 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.203 0.227 18088
5206 1 13 . 1 1 15 15 PHE H H 15 7.490 7.490 7.289 0.201 18088
5207 1 13 . 1 1 16 16 HIS N N 16 118.200 118.200 118.499 -0.299 18088
5208 1 13 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.279 0.941 18088
5209 1 13 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.799 -3.469 18088
5210 1 13 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.184 -0.004 18088
5211 1 13 . 1 1 16 16 HIS H H 16 9.280 9.280 8.469 0.811 18088
5212 1 13 . 1 1 17 17 ALA N N 17 121.060 121.060 123.486 -2.426 18088
5213 1 13 . 1 1 17 17 ALA HA H 17 3.830 3.830 4.092 -0.262 18088
5214 1 13 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.476 -0.046 18088
5215 1 13 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.511 -0.981 18088
5216 1 13 . 1 1 17 17 ALA H H 17 8.180 8.180 7.941 0.239 18088
5217 1 13 . 1 1 18 18 HIS N N 18 112.580 112.580 115.781 -3.201 18088
5218 1 13 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.677 -0.297 18088
5219 1 13 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.770 1.660 18088
5220 1 13 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.801 1.149 18088
5221 1 13 . 1 1 18 18 HIS H H 18 7.410 7.410 7.599 -0.189 18088
5222 1 13 . 1 1 19 19 SER HA H 19 4.100 4.100 3.873 0.227 18088
5223 1 13 . 1 1 19 19 SER CA C 19 60.250 60.250 59.612 0.638 18088
5224 1 13 . 1 1 19 19 SER CB C 19 61.700 61.700 63.301 -1.601 18088
5225 1 13 . 1 1 20 20 GLY N N 20 106.830 106.830 115.899 -9.069 18088
5226 1 13 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.264 -0.114 18088
5227 1 13 . 1 1 20 20 GLY H H 20 8.260 8.260 8.536 -0.276 18088
5228 1 13 . 1 1 21 21 LYS N N 21 120.310 120.310 123.055 -2.745 18088
5229 1 13 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.297 -0.327 18088
5230 1 13 . 1 1 21 21 LYS CA C 21 58.500 58.500 57.041 1.459 18088
5231 1 13 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.910 -0.209 18088
5232 1 13 . 1 1 21 21 LYS H H 21 7.670 7.670 8.186 -0.516 18088
5233 1 13 . 1 1 22 22 GLU N N 22 117.240 117.240 121.567 -4.327 18088
5234 1 13 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.380 0.050 18088
5235 1 13 . 1 1 22 22 GLU CA C 22 55.320 55.320 56.523 -1.203 18088
5236 1 13 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.836 1.314 18088
5237 1 13 . 1 1 22 22 GLU H H 22 7.870 7.870 8.672 -0.802 18088
5238 1 13 . 1 1 23 23 GLY N N 23 107.910 107.910 107.853 0.057 18088
5239 1 13 . 1 1 23 23 GLY CA C 23 45.860 45.860 45.093 0.767 18088
5240 1 13 . 1 1 23 23 GLY H H 23 8.110 8.110 8.411 -0.301 18088
5241 1 13 . 1 1 24 24 ASP N N 24 122.900 122.900 122.427 0.473 18088
5242 1 13 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.890 -0.340 18088
5243 1 13 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.760 -0.270 18088
5244 1 13 . 1 1 24 24 ASP CB C 24 42.360 42.360 40.560 1.800 18088
5245 1 13 . 1 1 24 24 ASP H H 24 8.180 8.180 8.198 -0.018 18088
5246 1 13 . 1 1 25 25 LYS N N 25 124.810 124.810 122.767 2.043 18088
5247 1 13 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.054 0.036 18088
5248 1 13 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.092 -1.712 18088
5249 1 13 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.551 -0.601 18088
5250 1 13 . 1 1 25 25 LYS H H 25 8.440 8.440 8.331 0.109 18088
5251 1 13 . 1 1 26 26 TYR N N 26 117.200 117.200 113.731 3.469 18088
5252 1 13 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.568 0.552 18088
5253 1 13 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.261 -2.911 18088
5254 1 13 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.402 -0.732 18088
5255 1 13 . 1 1 26 26 TYR H H 26 8.490 8.490 8.419 0.071 18088
5256 1 13 . 1 1 27 27 LYS N N 27 118.320 118.320 116.885 1.435 18088
5257 1 13 . 1 1 27 27 LYS HA H 27 5.480 5.480 5.167 0.313 18088
5258 1 13 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.024 -0.264 18088
5259 1 13 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.241 1.179 18088
5260 1 13 . 1 1 27 27 LYS H H 27 7.870 7.870 7.857 0.013 18088
5261 1 13 . 1 1 28 28 LEU N N 28 121.530 121.530 121.007 0.523 18088
5262 1 13 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.674 0.046 18088
5263 1 13 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.659 -0.939 18088
5264 1 13 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.148 0.232 18088
5265 1 13 . 1 1 28 28 LEU H H 28 8.840 8.840 8.150 0.690 18088
5266 1 13 . 1 1 29 29 SER N N 29 120.620 120.620 116.016 4.604 18088
5267 1 13 . 1 1 29 29 SER HA H 29 5.040 5.040 4.670 0.370 18088
5268 1 13 . 1 1 29 29 SER CA C 29 57.850 57.850 57.699 0.151 18088
5269 1 13 . 1 1 29 29 SER CB C 29 64.240 64.240 63.701 0.539 18088
5270 1 13 . 1 1 29 29 SER H H 29 8.940 8.940 8.580 0.360 18088
5271 1 13 . 1 1 30 30 LYS N N 30 124.390 124.390 121.793 2.597 18088
5272 1 13 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.127 -0.267 18088
5273 1 13 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.885 1.575 18088
5274 1 13 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.742 -0.922 18088
5275 1 13 . 1 1 30 30 LYS H H 30 8.810 8.810 8.482 0.328 18088
5276 1 13 . 1 1 31 31 LYS N N 31 120.250 120.250 119.257 0.993 18088
5277 1 13 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.890 0.280 18088
5278 1 13 . 1 1 31 31 LYS CA C 31 59.290 59.290 60.084 -0.794 18088
5279 1 13 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.823 0.648 18088
5280 1 13 . 1 1 31 31 LYS H H 31 8.740 8.740 8.481 0.259 18088
5281 1 13 . 1 1 32 32 GLU N N 32 121.570 121.570 118.820 2.750 18088
5282 1 13 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.153 -0.073 18088
5283 1 13 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.138 0.142 18088
5284 1 13 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.039 0.201 18088
5285 1 13 . 1 1 32 32 GLU H H 32 7.790 7.790 8.636 -0.846 18088
5286 1 13 . 1 1 33 33 LEU N N 33 121.720 121.720 121.700 0.020 18088
5287 1 13 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.093 -0.093 18088
5288 1 13 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.550 -0.360 18088
5289 1 13 . 1 1 33 33 LEU CB C 33 40.480 40.480 41.932 -1.452 18088
5290 1 13 . 1 1 33 33 LEU H H 33 8.890 8.890 7.922 0.968 18088
5291 1 13 . 1 1 34 34 LYS N N 34 120.420 120.420 119.185 1.235 18088
5292 1 13 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.850 -0.230 18088
5293 1 13 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.479 0.361 18088
5294 1 13 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.067 -0.317 18088
5295 1 13 . 1 1 34 34 LYS H H 34 8.420 8.420 7.883 0.537 18088
5296 1 13 . 1 1 35 35 GLU N N 35 117.260 117.260 118.240 -0.980 18088
5297 1 13 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.083 -0.013 18088
5298 1 13 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.579 0.671 18088
5299 1 13 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.729 -0.679 18088
5300 1 13 . 1 1 35 35 GLU H H 35 7.220 7.220 7.506 -0.286 18088
5301 1 13 . 1 1 36 36 LEU N N 36 122.740 122.740 121.221 1.519 18088
5302 1 13 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.913 -0.183 18088
5303 1 13 . 1 1 36 36 LEU CA C 36 59.220 59.220 57.973 1.247 18088
5304 1 13 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.541 0.659 18088
5305 1 13 . 1 1 36 36 LEU H H 36 8.330 8.330 7.392 0.938 18088
5306 1 13 . 1 1 37 37 LEU N N 37 120.360 120.360 116.404 3.956 18088
5307 1 13 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.155 -0.475 18088
5308 1 13 . 1 1 37 37 LEU CA C 37 58.270 58.270 58.178 0.092 18088
5309 1 13 . 1 1 37 37 LEU CB C 37 41.500 41.500 40.976 0.524 18088
5310 1 13 . 1 1 37 37 LEU H H 37 8.790 8.790 7.867 0.923 18088
5311 1 13 . 1 1 38 38 GLN N N 38 113.560 113.560 118.236 -4.676 18088
5312 1 13 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.046 -0.326 18088
5313 1 13 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.433 0.247 18088
5314 1 13 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.268 0.492 18088
5315 1 13 . 1 1 38 38 GLN H H 38 8.100 8.100 8.102 -0.002 18088
5316 1 13 . 1 1 39 39 THR N N 39 109.810 109.810 115.334 -5.524 18088
5317 1 13 . 1 1 39 39 THR HA H 39 4.280 4.280 4.228 0.052 18088
5318 1 13 . 1 1 39 39 THR CA C 39 64.510 64.510 65.269 -0.759 18088
5319 1 13 . 1 1 39 39 THR CB C 39 69.740 69.740 68.969 0.771 18088
5320 1 13 . 1 1 39 39 THR H H 39 7.690 7.690 7.493 0.197 18088
5321 1 13 . 1 1 40 40 GLU N N 40 118.480 118.480 119.787 -1.307 18088
5322 1 13 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.407 0.323 18088
5323 1 13 . 1 1 40 40 GLU CA C 40 56.690 56.690 56.827 -0.137 18088
5324 1 13 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.083 0.007 18088
5325 1 13 . 1 1 40 40 GLU H H 40 9.000 9.000 7.910 1.090 18088
5326 1 13 . 1 1 41 41 LEU N N 41 120.000 120.000 120.602 -0.602 18088
5327 1 13 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.834 0.316 18088
5328 1 13 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.205 -0.965 18088
5329 1 13 . 1 1 41 41 LEU CB C 41 42.250 42.250 43.081 -0.831 18088
5330 1 13 . 1 1 41 41 LEU H H 41 7.890 7.890 8.416 -0.526 18088
5331 1 13 . 1 1 42 42 SER N N 42 112.560 112.560 117.195 -4.635 18088
5332 1 13 . 1 1 42 42 SER HA H 42 3.840 3.840 4.355 -0.515 18088
5333 1 13 . 1 1 42 42 SER CA C 42 61.610 61.610 61.026 0.584 18088
5334 1 13 . 1 1 42 42 SER CB C 42 62.780 62.780 62.944 -0.164 18088
5335 1 13 . 1 1 42 42 SER H H 42 6.890 6.890 7.626 -0.736 18088
5336 1 13 . 1 1 43 43 GLY N N 43 114.540 114.540 109.354 5.186 18088
5337 1 13 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.221 -0.561 18088
5338 1 13 . 1 1 43 43 GLY H H 43 9.310 9.310 8.866 0.444 18088
5339 1 13 . 1 1 44 44 PHE N N 44 125.000 125.000 119.186 5.814 18088
5340 1 13 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.421 0.159 18088
5341 1 13 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.481 -1.871 18088
5342 1 13 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.816 -2.356 18088
5343 1 13 . 1 1 44 44 PHE H H 44 8.400 8.400 7.459 0.941 18088
5344 1 13 . 1 1 45 45 LEU N N 45 116.880 116.880 120.827 -3.947 18088
5345 1 13 . 1 1 45 45 LEU HA H 45 3.510 3.510 3.989 -0.479 18088
5346 1 13 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.459 -0.219 18088
5347 1 13 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.789 -0.269 18088
5348 1 13 . 1 1 45 45 LEU H H 45 8.550 8.550 7.681 0.869 18088
5349 1 13 . 1 1 46 46 ASP N N 46 119.260 119.260 119.936 -0.676 18088
5350 1 13 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.422 0.298 18088
5351 1 13 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.472 -1.343 18088
5352 1 13 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.700 0.760 18088
5353 1 13 . 1 1 46 46 ASP H H 46 7.460 7.460 7.996 -0.536 18088
5354 1 13 . 1 1 47 47 ALA N N 47 124.850 124.850 122.625 2.225 18088
5355 1 13 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.295 0.245 18088
5356 1 13 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.704 -1.014 18088
5357 1 13 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.378 1.412 18088
5358 1 13 . 1 1 47 47 ALA H H 47 7.620 7.620 7.590 0.030 18088
5359 1 13 . 1 1 48 48 GLN N N 48 116.830 116.830 118.373 -1.543 18088
5360 1 13 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.265 -0.465 18088
5361 1 13 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.501 0.649 18088
5362 1 13 . 1 1 48 48 GLN CB C 48 29.810 29.810 27.988 1.822 18088
5363 1 13 . 1 1 48 48 GLN H H 48 7.740 7.740 8.003 -0.263 18088
5364 1 13 . 1 1 49 49 LYS N N 49 121.570 121.570 124.614 -3.044 18088
5365 1 13 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.528 -0.408 18088
5366 1 13 . 1 1 49 49 LYS CA C 49 55.830 55.830 57.021 -1.191 18088
5367 1 13 . 1 1 49 49 LYS CB C 49 31.050 31.050 33.904 -2.854 18088
5368 1 13 . 1 1 49 49 LYS H H 49 7.790 7.790 8.796 -1.006 18088
5369 1 13 . 1 1 50 50 ASP N N 50 118.910 118.910 122.646 -3.736 18088
5370 1 13 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.720 -0.030 18088
5371 1 13 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.222 -1.392 18088
5372 1 13 . 1 1 50 50 ASP CB C 50 39.950 39.950 38.872 1.078 18088
5373 1 13 . 1 1 50 50 ASP H H 50 7.480 7.480 8.083 -0.603 18088
5374 1 13 . 1 1 51 51 VAL N N 51 122.060 122.060 121.729 0.331 18088
5375 1 13 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.477 0.423 18088
5376 1 13 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.998 -1.268 18088
5377 1 13 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.769 0.181 18088
5378 1 13 . 1 1 51 51 VAL H H 51 7.820 7.820 8.801 -0.981 18088
5379 1 13 . 1 1 52 52 ASP N N 52 120.090 120.090 119.833 0.257 18088
5380 1 13 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.259 0.121 18088
5381 1 13 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.301 -0.041 18088
5382 1 13 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.819 0.761 18088
5383 1 13 . 1 1 52 52 ASP H H 52 8.190 8.190 8.266 -0.076 18088
5384 1 13 . 1 1 53 53 ALA N N 53 122.110 122.110 121.869 0.241 18088
5385 1 13 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.238 -0.198 18088
5386 1 13 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.832 -0.232 18088
5387 1 13 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.807 -0.127 18088
5388 1 13 . 1 1 53 53 ALA H H 53 7.620 7.620 8.393 -0.773 18088
5389 1 13 . 1 1 54 54 VAL N N 54 118.070 118.070 119.461 -1.391 18088
5390 1 13 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.481 -0.061 18088
5391 1 13 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.548 -0.208 18088
5392 1 13 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.566 0.444 18088
5393 1 13 . 1 1 54 54 VAL H H 54 7.380 7.380 7.588 -0.208 18088
5394 1 13 . 1 1 55 55 ASP N N 55 119.590 119.590 119.275 0.315 18088
5395 1 13 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.479 -0.169 18088
5396 1 13 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.204 0.166 18088
5397 1 13 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.706 0.254 18088
5398 1 13 . 1 1 55 55 ASP H H 55 8.500 8.500 8.667 -0.167 18088
5399 1 13 . 1 1 56 56 LYS N N 56 118.010 118.010 120.304 -2.294 18088
5400 1 13 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.996 -0.056 18088
5401 1 13 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.697 0.063 18088
5402 1 13 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.365 0.145 18088
5403 1 13 . 1 1 56 56 LYS H H 56 7.970 7.970 7.206 0.764 18088
5404 1 13 . 1 1 57 57 VAL N N 57 119.390 119.390 119.877 -0.487 18088
5405 1 13 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.622 0.088 18088
5406 1 13 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.045 -0.005 18088
5407 1 13 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.831 0.269 18088
5408 1 13 . 1 1 57 57 VAL H H 57 7.310 7.310 8.125 -0.815 18088
5409 1 13 . 1 1 58 58 MET N N 58 116.040 116.040 117.160 -1.120 18088
5410 1 13 . 1 1 58 58 MET HA H 58 4.120 4.120 4.167 -0.047 18088
5411 1 13 . 1 1 58 58 MET CA C 58 57.430 57.430 58.128 -0.698 18088
5412 1 13 . 1 1 58 58 MET CB C 58 31.260 31.260 31.944 -0.684 18088
5413 1 13 . 1 1 58 58 MET H H 58 8.370 8.370 7.717 0.653 18088
5414 1 13 . 1 1 59 59 LYS N N 59 118.900 118.900 119.786 -0.886 18088
5415 1 13 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.097 -0.027 18088
5416 1 13 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.050 0.080 18088
5417 1 13 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.374 0.016 18088
5418 1 13 . 1 1 59 59 LYS H H 59 8.600 8.600 8.031 0.569 18088
5419 1 13 . 1 1 60 60 GLU N N 60 119.880 119.880 119.831 0.049 18088
5420 1 13 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.116 -0.076 18088
5421 1 13 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.234 0.296 18088
5422 1 13 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.650 -1.100 18088
5423 1 13 . 1 1 60 60 GLU H H 60 7.430 7.430 8.091 -0.661 18088
5424 1 13 . 1 1 61 61 LEU N N 61 116.900 116.900 118.557 -1.657 18088
5425 1 13 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.574 -0.634 18088
5426 1 13 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.100 0.110 18088
5427 1 13 . 1 1 61 61 LEU CB C 61 40.530 40.530 42.288 -1.758 18088
5428 1 13 . 1 1 61 61 LEU H H 61 7.600 7.600 7.547 0.053 18088
5429 1 13 . 1 1 62 62 ASP N N 62 115.990 115.990 120.045 -4.055 18088
5430 1 13 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.315 0.155 18088
5431 1 13 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.068 -0.948 18088
5432 1 13 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.664 0.866 18088
5433 1 13 . 1 1 62 62 ASP H H 62 7.590 7.590 7.885 -0.295 18088
5434 1 13 . 1 1 63 63 GLU N N 63 118.920 118.920 117.192 1.728 18088
5435 1 13 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.157 -0.047 18088
5436 1 13 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.526 -0.496 18088
5437 1 13 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.643 0.357 18088
5438 1 13 . 1 1 63 63 GLU H H 63 8.120 8.120 7.966 0.154 18088
5439 1 13 . 1 1 64 64 ASN N N 64 117.750 117.750 115.660 2.090 18088
5440 1 13 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.915 0.255 18088
5441 1 13 . 1 1 64 64 ASN CA C 64 51.870 51.870 51.855 0.015 18088
5442 1 13 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.410 0.200 18088
5443 1 13 . 1 1 64 64 ASN H H 64 7.730 7.730 8.012 -0.282 18088
5444 1 13 . 1 1 65 65 GLY N N 65 107.100 107.100 109.608 -2.508 18088
5445 1 13 . 1 1 65 65 GLY CA C 65 47.880 47.880 46.780 1.100 18088
5446 1 13 . 1 1 65 65 GLY H H 65 7.750 7.750 8.297 -0.547 18088
5447 1 13 . 1 1 66 66 ASP N N 66 115.630 115.630 119.855 -4.225 18088
5448 1 13 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.808 0.022 18088
5449 1 13 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.429 0.621 18088
5450 1 13 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.603 -0.043 18088
5451 1 13 . 1 1 66 66 ASP H H 66 8.320 8.320 8.171 0.149 18088
5452 1 13 . 1 1 67 67 GLY N N 67 109.240 109.240 108.382 0.858 18088
5453 1 13 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.703 0.087 18088
5454 1 13 . 1 1 67 67 GLY H H 67 8.260 8.260 8.074 0.186 18088
5455 1 13 . 1 1 68 68 GLU N N 68 117.540 117.540 117.681 -0.141 18088
5456 1 13 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.293 -0.043 18088
5457 1 13 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.198 -0.228 18088
5458 1 13 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.182 -0.292 18088
5459 1 13 . 1 1 68 68 GLU H H 68 8.500 8.500 8.216 0.284 18088
5460 1 13 . 1 1 69 69 VAL N N 69 115.550 115.550 118.560 -3.010 18088
5461 1 13 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.692 0.268 18088
5462 1 13 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.969 -0.899 18088
5463 1 13 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.443 -0.433 18088
5464 1 13 . 1 1 69 69 VAL H H 69 9.190 9.190 8.652 0.538 18088
5465 1 13 . 1 1 70 70 ASP N N 70 121.130 121.130 119.396 1.734 18088
5466 1 13 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.966 0.594 18088
5467 1 13 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.723 -1.723 18088
5468 1 13 . 1 1 70 70 ASP CB C 70 42.670 42.670 41.978 0.692 18088
5469 1 13 . 1 1 70 70 ASP H H 70 8.320 8.320 8.156 0.164 18088
5470 1 13 . 1 1 71 71 PHE N N 71 119.290 119.290 120.020 -0.730 18088
5471 1 13 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.944 -0.474 18088
5472 1 13 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.288 -0.828 18088
5473 1 13 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.779 0.451 18088
5474 1 13 . 1 1 71 71 PHE H H 71 9.480 9.480 8.604 0.876 18088
5475 1 13 . 1 1 72 72 GLN N N 72 116.810 116.810 118.762 -1.952 18088
5476 1 13 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.873 -0.463 18088
5477 1 13 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.542 1.108 18088
5478 1 13 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.241 0.489 18088
5479 1 13 . 1 1 72 72 GLN H H 72 8.140 8.140 8.612 -0.472 18088
5480 1 13 . 1 1 73 73 GLU N N 73 119.590 119.590 118.363 1.227 18088
5481 1 13 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.028 -0.068 18088
5482 1 13 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.887 0.243 18088
5483 1 13 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.538 0.652 18088
5484 1 13 . 1 1 73 73 GLU H H 73 8.260 8.260 8.982 -0.722 18088
5485 1 13 . 1 1 74 74 TYR N N 74 122.520 122.520 122.464 0.056 18088
5486 1 13 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.085 0.244 18088
5487 1 13 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.223 -1.103 18088
5488 1 13 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.212 -1.502 18088
5489 1 13 . 1 1 74 74 TYR H H 74 8.240 8.240 8.364 -0.124 18088
5490 1 13 . 1 1 75 75 VAL N N 75 120.300 120.300 117.877 2.423 18088
5491 1 13 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.235 -0.585 18088
5492 1 13 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.832 1.048 18088
5493 1 13 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.026 -0.596 18088
5494 1 13 . 1 1 75 75 VAL H H 75 7.980 7.980 7.953 0.027 18088
5495 1 13 . 1 1 76 76 VAL N N 76 119.180 119.180 119.555 -0.375 18088
5496 1 13 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.635 -0.305 18088
5497 1 13 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.941 0.709 18088
5498 1 13 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.129 0.461 18088
5499 1 13 . 1 1 76 76 VAL H H 76 7.560 7.560 8.335 -0.775 18088
5500 1 13 . 1 1 77 77 LEU N N 77 121.440 121.440 119.855 1.585 18088
5501 1 13 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.061 0.079 18088
5502 1 13 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.786 0.394 18088
5503 1 13 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.708 0.242 18088
5504 1 13 . 1 1 77 77 LEU H H 77 7.740 7.740 7.002 0.738 18088
5505 1 13 . 1 1 78 78 VAL N N 78 119.220 119.220 115.652 3.568 18088
5506 1 13 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.308 0.132 18088
5507 1 13 . 1 1 78 78 VAL CA C 78 67.130 67.130 66.055 1.075 18088
5508 1 13 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.017 0.293 18088
5509 1 13 . 1 1 78 78 VAL H H 78 8.320 8.320 6.990 1.330 18088
5510 1 13 . 1 1 79 79 ALA N N 79 124.780 124.780 120.950 3.830 18088
5511 1 13 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.072 -0.062 18088
5512 1 13 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.786 2.074 18088
5513 1 13 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.381 -0.421 18088
5514 1 13 . 1 1 79 79 ALA H H 79 9.000 9.000 7.733 1.267 18088
5515 1 13 . 1 1 80 80 ALA N N 80 121.760 121.760 121.602 0.158 18088
5516 1 13 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.960 -0.040 18088
5517 1 13 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.553 0.617 18088
5518 1 13 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.203 -0.723 18088
5519 1 13 . 1 1 80 80 ALA H H 80 8.240 8.240 7.417 0.823 18088
5520 1 13 . 1 1 81 81 LEU N N 81 118.310 118.310 117.435 0.875 18088
5521 1 13 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.069 -0.419 18088
5522 1 13 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.350 -0.040 18088
5523 1 13 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.921 -1.271 18088
5524 1 13 . 1 1 81 81 LEU H H 81 7.920 7.920 7.449 0.471 18088
5525 1 13 . 1 1 82 82 THR N N 82 116.240 116.240 116.274 -0.034 18088
5526 1 13 . 1 1 82 82 THR HA H 82 3.710 3.710 4.012 -0.302 18088
5527 1 13 . 1 1 82 82 THR CA C 82 68.770 68.770 66.591 2.179 18088
5528 1 13 . 1 1 82 82 THR CB C 82 67.420 67.420 68.659 -1.239 18088
5529 1 13 . 1 1 82 82 THR H H 82 8.120 8.120 7.566 0.554 18088
5530 1 13 . 1 1 83 83 VAL N N 83 120.000 120.000 113.162 6.838 18088
5531 1 13 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.533 -0.503 18088
5532 1 13 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.929 3.021 18088
5533 1 13 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.023 -0.173 18088
5534 1 13 . 1 1 83 83 VAL H H 83 7.780 7.780 7.259 0.521 18088
5535 1 13 . 1 1 87 87 ASN N N 87 124.810 124.810 116.830 7.980 18088
5536 1 13 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.244 -0.014 18088
5537 1 13 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.526 1.504 18088
5538 1 13 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.180 0.090 18088
5539 1 13 . 1 1 87 87 ASN H H 87 9.130 9.130 7.685 1.445 18088
5540 1 13 . 1 1 88 88 PHE N N 88 120.680 120.680 116.826 3.854 18088
5541 1 13 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.042 0.048 18088
5542 1 13 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.099 1.731 18088
5543 1 13 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.072 0.238 18088
5544 1 13 . 1 1 88 88 PHE H H 88 8.650 8.650 7.447 1.203 18088
5545 1 13 . 1 1 89 89 PHE N N 89 112.580 112.580 114.571 -1.991 18088
5546 1 13 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.627 -0.827 18088
5547 1 13 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.364 1.546 18088
5548 1 13 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.631 -1.751 18088
5549 1 13 . 1 1 89 89 PHE H H 89 7.410 7.410 7.194 0.216 18088
5550 1 13 . 1 1 90 90 TRP N N 90 118.690 118.690 122.395 -3.705 18088
5551 1 13 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.689 -0.099 18088
5552 1 13 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.623 -0.323 18088
5553 1 13 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.613 3.567 18088
5554 1 13 . 1 1 90 90 TRP H H 90 7.370 7.370 8.399 -1.029 18088
5555 1 13 . 1 1 91 91 GLU N N 91 121.380 121.380 120.215 1.165 18088
5556 1 13 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.429 -0.089 18088
5557 1 13 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.371 0.099 18088
5558 1 13 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.737 -0.307 18088
5559 1 13 . 1 1 91 91 GLU H H 91 7.820 7.820 8.332 -0.512 18088
5560 1 13 . 1 1 92 92 ASN N N 92 120.640 120.640 123.162 -2.522 18088
5561 1 13 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.936 -0.136 18088
5562 1 13 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.221 0.319 18088
5563 1 13 . 1 1 92 92 ASN CB C 92 38.980 38.980 39.153 -0.173 18088
5564 1 13 . 1 1 92 92 ASN H H 92 8.560 8.560 8.710 -0.150 18088
5565 1 14 . 1 1 2 2 SER N N 2 118.720 118.720 116.509 2.211 18088
5566 1 14 . 1 1 2 2 SER HA H 2 4.690 4.690 4.482 0.208 18088
5567 1 14 . 1 1 2 2 SER CA C 2 57.270 57.270 56.632 0.638 18088
5568 1 14 . 1 1 2 2 SER CB C 2 65.140 65.140 64.959 0.181 18088
5569 1 14 . 1 1 2 2 SER H H 2 9.270 9.270 8.278 0.992 18088
5570 1 14 . 1 1 3 3 GLU N N 3 122.920 122.920 125.323 -2.403 18088
5571 1 14 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.124 -0.004 18088
5572 1 14 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.367 1.123 18088
5573 1 14 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.659 -0.689 18088
5574 1 14 . 1 1 3 3 GLU H H 3 9.260 9.260 9.036 0.224 18088
5575 1 14 . 1 1 4 4 LEU N N 4 121.140 121.140 117.224 3.916 18088
5576 1 14 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.240 -0.200 18088
5577 1 14 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.000 0.060 18088
5578 1 14 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.348 0.842 18088
5579 1 14 . 1 1 4 4 LEU H H 4 8.920 8.920 7.952 0.968 18088
5580 1 14 . 1 1 5 5 GLU N N 5 118.710 118.710 120.175 -1.465 18088
5581 1 14 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.083 -0.803 18088
5582 1 14 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.825 -0.155 18088
5583 1 14 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.451 -0.301 18088
5584 1 14 . 1 1 5 5 GLU H H 5 7.880 7.880 8.234 -0.354 18088
5585 1 14 . 1 1 6 6 THR N N 6 116.050 116.050 116.561 -0.511 18088
5586 1 14 . 1 1 6 6 THR HA H 6 4.020 4.020 4.011 0.009 18088
5587 1 14 . 1 1 6 6 THR CA C 6 66.580 66.580 66.113 0.467 18088
5588 1 14 . 1 1 6 6 THR CB C 6 68.620 68.620 68.838 -0.218 18088
5589 1 14 . 1 1 6 6 THR H H 6 8.440 8.440 7.740 0.700 18088
5590 1 14 . 1 1 7 7 ALA N N 7 125.840 125.840 124.666 1.174 18088
5591 1 14 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.005 0.275 18088
5592 1 14 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.122 0.478 18088
5593 1 14 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.287 -0.217 18088
5594 1 14 . 1 1 7 7 ALA H H 7 8.320 8.320 7.552 0.768 18088
5595 1 14 . 1 1 8 8 MET N N 8 115.330 115.330 117.450 -2.120 18088
5596 1 14 . 1 1 8 8 MET HA H 8 4.860 4.860 4.160 0.700 18088
5597 1 14 . 1 1 8 8 MET CA C 8 56.510 56.510 57.026 -0.516 18088
5598 1 14 . 1 1 8 8 MET CB C 8 28.930 28.930 30.743 -1.813 18088
5599 1 14 . 1 1 8 8 MET H H 8 8.150 8.150 7.668 0.482 18088
5600 1 14 . 1 1 9 9 GLU N N 9 120.410 120.410 119.242 1.168 18088
5601 1 14 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.979 0.181 18088
5602 1 14 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.502 0.448 18088
5603 1 14 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.608 -0.788 18088
5604 1 14 . 1 1 9 9 GLU H H 9 8.760 8.760 7.784 0.976 18088
5605 1 14 . 1 1 10 10 THR N N 10 118.820 118.820 111.593 7.227 18088
5606 1 14 . 1 1 10 10 THR HA H 10 4.130 4.130 4.387 -0.257 18088
5607 1 14 . 1 1 10 10 THR CA C 10 67.180 67.180 65.038 2.142 18088
5608 1 14 . 1 1 10 10 THR CB C 10 67.770 67.770 69.073 -1.303 18088
5609 1 14 . 1 1 10 10 THR H H 10 8.510 8.510 7.919 0.591 18088
5610 1 14 . 1 1 11 11 LEU N N 11 121.840 121.840 122.543 -0.703 18088
5611 1 14 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.251 -0.171 18088
5612 1 14 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.534 2.716 18088
5613 1 14 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.159 0.741 18088
5614 1 14 . 1 1 11 11 LEU H H 11 8.380 8.380 7.365 1.015 18088
5615 1 14 . 1 1 12 12 ILE N N 12 121.310 121.310 118.512 2.798 18088
5616 1 14 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.568 -0.028 18088
5617 1 14 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.506 0.614 18088
5618 1 14 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.087 1.252 18088
5619 1 14 . 1 1 12 12 ILE H H 12 8.520 8.520 7.914 0.606 18088
5620 1 14 . 1 1 13 13 ASN N N 13 120.570 120.570 118.139 2.431 18088
5621 1 14 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.402 -0.032 18088
5622 1 14 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.036 0.504 18088
5623 1 14 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.461 -0.551 18088
5624 1 14 . 1 1 13 13 ASN H H 13 8.700 8.700 7.633 1.067 18088
5625 1 14 . 1 1 14 14 VAL N N 14 122.040 122.040 119.937 2.103 18088
5626 1 14 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.673 0.207 18088
5627 1 14 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.436 0.074 18088
5628 1 14 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.892 -0.072 18088
5629 1 14 . 1 1 14 14 VAL H H 14 8.900 8.900 7.561 1.339 18088
5630 1 14 . 1 1 15 15 PHE N N 15 120.410 120.410 118.409 2.001 18088
5631 1 14 . 1 1 15 15 PHE HA H 15 3.580 3.580 4.018 -0.438 18088
5632 1 14 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.127 1.253 18088
5633 1 14 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.112 0.318 18088
5634 1 14 . 1 1 15 15 PHE H H 15 7.490 7.490 7.330 0.160 18088
5635 1 14 . 1 1 16 16 HIS N N 16 118.200 118.200 117.901 0.299 18088
5636 1 14 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.460 0.760 18088
5637 1 14 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.237 -2.907 18088
5638 1 14 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.207 -0.027 18088
5639 1 14 . 1 1 16 16 HIS H H 16 9.280 9.280 8.039 1.241 18088
5640 1 14 . 1 1 17 17 ALA N N 17 121.060 121.060 123.386 -2.326 18088
5641 1 14 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.904 -0.074 18088
5642 1 14 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.061 0.369 18088
5643 1 14 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.915 -1.385 18088
5644 1 14 . 1 1 17 17 ALA H H 17 8.180 8.180 7.751 0.429 18088
5645 1 14 . 1 1 18 18 HIS N N 18 112.580 112.580 114.196 -1.616 18088
5646 1 14 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.765 -0.385 18088
5647 1 14 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.516 1.914 18088
5648 1 14 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.940 0.010 18088
5649 1 14 . 1 1 18 18 HIS H H 18 7.410 7.410 7.543 -0.133 18088
5650 1 14 . 1 1 19 19 SER HA H 19 4.100 4.100 4.044 0.056 18088
5651 1 14 . 1 1 19 19 SER CA C 19 60.250 60.250 59.225 1.025 18088
5652 1 14 . 1 1 19 19 SER CB C 19 61.700 61.700 64.068 -2.368 18088
5653 1 14 . 1 1 20 20 GLY N N 20 106.830 106.830 112.499 -5.669 18088
5654 1 14 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.434 -0.284 18088
5655 1 14 . 1 1 20 20 GLY H H 20 8.260 8.260 8.305 -0.045 18088
5656 1 14 . 1 1 21 21 LYS N N 21 120.310 120.310 123.985 -3.675 18088
5657 1 14 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.323 -0.353 18088
5658 1 14 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.814 1.686 18088
5659 1 14 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.925 -0.225 18088
5660 1 14 . 1 1 21 21 LYS H H 21 7.670 7.670 8.319 -0.649 18088
5661 1 14 . 1 1 22 22 GLU N N 22 117.240 117.240 119.787 -2.547 18088
5662 1 14 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.290 0.140 18088
5663 1 14 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.706 -2.386 18088
5664 1 14 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.035 1.115 18088
5665 1 14 . 1 1 22 22 GLU H H 22 7.870 7.870 8.630 -0.760 18088
5666 1 14 . 1 1 23 23 GLY N N 23 107.910 107.910 107.477 0.433 18088
5667 1 14 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.739 1.121 18088
5668 1 14 . 1 1 23 23 GLY H H 23 8.110 8.110 8.291 -0.181 18088
5669 1 14 . 1 1 24 24 ASP N N 24 122.900 122.900 122.212 0.688 18088
5670 1 14 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.026 -0.476 18088
5671 1 14 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.115 0.375 18088
5672 1 14 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.543 0.817 18088
5673 1 14 . 1 1 24 24 ASP H H 24 8.180 8.180 8.388 -0.208 18088
5674 1 14 . 1 1 25 25 LYS N N 25 124.810 124.810 124.628 0.182 18088
5675 1 14 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.157 -0.067 18088
5676 1 14 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.134 -1.754 18088
5677 1 14 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.694 -0.744 18088
5678 1 14 . 1 1 25 25 LYS H H 25 8.440 8.440 8.809 -0.369 18088
5679 1 14 . 1 1 26 26 TYR N N 26 117.200 117.200 116.622 0.578 18088
5680 1 14 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.405 0.715 18088
5681 1 14 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.292 -2.942 18088
5682 1 14 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.190 -0.520 18088
5683 1 14 . 1 1 26 26 TYR H H 26 8.490 8.490 8.360 0.130 18088
5684 1 14 . 1 1 27 27 LYS N N 27 118.320 118.320 115.650 2.670 18088
5685 1 14 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.868 0.612 18088
5686 1 14 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.056 -0.296 18088
5687 1 14 . 1 1 27 27 LYS CB C 27 37.420 37.420 35.650 1.770 18088
5688 1 14 . 1 1 27 27 LYS H H 27 7.870 7.870 7.669 0.201 18088
5689 1 14 . 1 1 28 28 LEU N N 28 121.530 121.530 121.370 0.160 18088
5690 1 14 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.709 0.011 18088
5691 1 14 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.213 -1.493 18088
5692 1 14 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.606 0.774 18088
5693 1 14 . 1 1 28 28 LEU H H 28 8.840 8.840 7.947 0.893 18088
5694 1 14 . 1 1 29 29 SER N N 29 120.620 120.620 116.325 4.295 18088
5695 1 14 . 1 1 29 29 SER HA H 29 5.040 5.040 4.602 0.438 18088
5696 1 14 . 1 1 29 29 SER CA C 29 57.850 57.850 58.758 -0.908 18088
5697 1 14 . 1 1 29 29 SER CB C 29 64.240 64.240 64.294 -0.054 18088
5698 1 14 . 1 1 29 29 SER H H 29 8.940 8.940 8.566 0.374 18088
5699 1 14 . 1 1 30 30 LYS N N 30 124.390 124.390 121.639 2.751 18088
5700 1 14 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.134 -0.274 18088
5701 1 14 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.847 1.613 18088
5702 1 14 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.666 -0.846 18088
5703 1 14 . 1 1 30 30 LYS H H 30 8.810 8.810 8.635 0.175 18088
5704 1 14 . 1 1 31 31 LYS N N 31 120.250 120.250 119.702 0.548 18088
5705 1 14 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.967 0.203 18088
5706 1 14 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.215 0.075 18088
5707 1 14 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.313 1.157 18088
5708 1 14 . 1 1 31 31 LYS H H 31 8.740 8.740 7.618 1.122 18088
5709 1 14 . 1 1 32 32 GLU N N 32 121.570 121.570 119.021 2.549 18088
5710 1 14 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.211 -0.131 18088
5711 1 14 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.047 0.233 18088
5712 1 14 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.959 0.281 18088
5713 1 14 . 1 1 32 32 GLU H H 32 7.790 7.790 8.223 -0.433 18088
5714 1 14 . 1 1 33 33 LEU N N 33 121.720 121.720 121.873 -0.153 18088
5715 1 14 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.191 -0.191 18088
5716 1 14 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.427 -0.237 18088
5717 1 14 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.032 -1.552 18088
5718 1 14 . 1 1 33 33 LEU H H 33 8.890 8.890 8.253 0.637 18088
5719 1 14 . 1 1 34 34 LYS N N 34 120.420 120.420 119.370 1.050 18088
5720 1 14 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.857 -0.237 18088
5721 1 14 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.686 0.154 18088
5722 1 14 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.096 -0.346 18088
5723 1 14 . 1 1 34 34 LYS H H 34 8.420 8.420 7.984 0.436 18088
5724 1 14 . 1 1 35 35 GLU N N 35 117.260 117.260 118.111 -0.851 18088
5725 1 14 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.060 0.010 18088
5726 1 14 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.574 0.676 18088
5727 1 14 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.189 -0.139 18088
5728 1 14 . 1 1 35 35 GLU H H 35 7.220 7.220 7.610 -0.390 18088
5729 1 14 . 1 1 36 36 LEU N N 36 122.740 122.740 121.709 1.031 18088
5730 1 14 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.945 -0.215 18088
5731 1 14 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.134 1.086 18088
5732 1 14 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.622 0.578 18088
5733 1 14 . 1 1 36 36 LEU H H 36 8.330 8.330 7.202 1.128 18088
5734 1 14 . 1 1 37 37 LEU N N 37 120.360 120.360 115.640 4.720 18088
5735 1 14 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.180 -0.500 18088
5736 1 14 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.809 0.461 18088
5737 1 14 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.209 0.291 18088
5738 1 14 . 1 1 37 37 LEU H H 37 8.790 8.790 7.555 1.235 18088
5739 1 14 . 1 1 38 38 GLN N N 38 113.560 113.560 117.599 -4.039 18088
5740 1 14 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.057 -0.337 18088
5741 1 14 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.217 0.463 18088
5742 1 14 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.498 0.262 18088
5743 1 14 . 1 1 38 38 GLN H H 38 8.100 8.100 8.438 -0.338 18088
5744 1 14 . 1 1 39 39 THR N N 39 109.810 109.810 115.450 -5.640 18088
5745 1 14 . 1 1 39 39 THR HA H 39 4.280 4.280 4.178 0.102 18088
5746 1 14 . 1 1 39 39 THR CA C 39 64.510 64.510 65.584 -1.074 18088
5747 1 14 . 1 1 39 39 THR CB C 39 69.740 69.740 68.926 0.814 18088
5748 1 14 . 1 1 39 39 THR H H 39 7.690 7.690 7.528 0.162 18088
5749 1 14 . 1 1 40 40 GLU N N 40 118.480 118.480 121.224 -2.744 18088
5750 1 14 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.250 0.479 18088
5751 1 14 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.708 -2.018 18088
5752 1 14 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.026 0.064 18088
5753 1 14 . 1 1 40 40 GLU H H 40 9.000 9.000 7.734 1.266 18088
5754 1 14 . 1 1 41 41 LEU N N 41 120.000 120.000 120.123 -0.123 18088
5755 1 14 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.588 0.562 18088
5756 1 14 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.907 -0.667 18088
5757 1 14 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.593 0.657 18088
5758 1 14 . 1 1 41 41 LEU H H 41 7.890 7.890 7.729 0.161 18088
5759 1 14 . 1 1 42 42 SER N N 42 112.560 112.560 115.892 -3.332 18088
5760 1 14 . 1 1 42 42 SER HA H 42 3.840 3.840 4.409 -0.569 18088
5761 1 14 . 1 1 42 42 SER CA C 42 61.610 61.610 59.771 1.839 18088
5762 1 14 . 1 1 42 42 SER CB C 42 62.780 62.780 63.034 -0.254 18088
5763 1 14 . 1 1 42 42 SER H H 42 6.890 6.890 7.635 -0.745 18088
5764 1 14 . 1 1 43 43 GLY N N 43 114.540 114.540 110.287 4.253 18088
5765 1 14 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.289 -0.629 18088
5766 1 14 . 1 1 43 43 GLY H H 43 9.310 9.310 7.690 1.620 18088
5767 1 14 . 1 1 44 44 PHE N N 44 125.000 125.000 120.857 4.143 18088
5768 1 14 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.294 0.286 18088
5769 1 14 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.758 -2.148 18088
5770 1 14 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.383 -1.923 18088
5771 1 14 . 1 1 44 44 PHE H H 44 8.400 8.400 7.458 0.942 18088
5772 1 14 . 1 1 45 45 LEU N N 45 116.880 116.880 119.433 -2.553 18088
5773 1 14 . 1 1 45 45 LEU HA H 45 3.510 3.510 3.973 -0.463 18088
5774 1 14 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.203 0.038 18088
5775 1 14 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.710 -0.190 18088
5776 1 14 . 1 1 45 45 LEU H H 45 8.550 8.550 8.149 0.401 18088
5777 1 14 . 1 1 46 46 ASP N N 46 119.260 119.260 119.919 -0.659 18088
5778 1 14 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.449 0.271 18088
5779 1 14 . 1 1 46 46 ASP CA C 46 55.130 55.130 57.152 -2.022 18088
5780 1 14 . 1 1 46 46 ASP CB C 46 41.460 41.460 41.077 0.383 18088
5781 1 14 . 1 1 46 46 ASP H H 46 7.460 7.460 7.677 -0.217 18088
5782 1 14 . 1 1 47 47 ALA N N 47 124.850 124.850 122.534 2.316 18088
5783 1 14 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.345 0.195 18088
5784 1 14 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.270 -0.580 18088
5785 1 14 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.422 1.368 18088
5786 1 14 . 1 1 47 47 ALA H H 47 7.620 7.620 7.558 0.062 18088
5787 1 14 . 1 1 48 48 GLN N N 48 116.830 116.830 118.005 -1.175 18088
5788 1 14 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.176 -0.376 18088
5789 1 14 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.682 0.468 18088
5790 1 14 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.059 0.750 18088
5791 1 14 . 1 1 48 48 GLN H H 48 7.740 7.740 7.792 -0.052 18088
5792 1 14 . 1 1 49 49 LYS N N 49 121.570 121.570 123.412 -1.842 18088
5793 1 14 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.534 -0.414 18088
5794 1 14 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.701 -0.871 18088
5795 1 14 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.576 -3.526 18088
5796 1 14 . 1 1 49 49 LYS H H 49 7.790 7.790 8.439 -0.649 18088
5797 1 14 . 1 1 50 50 ASP N N 50 118.910 118.910 123.579 -4.669 18088
5798 1 14 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.702 -0.012 18088
5799 1 14 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.959 -2.129 18088
5800 1 14 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.684 0.266 18088
5801 1 14 . 1 1 50 50 ASP H H 50 7.480 7.480 8.114 -0.634 18088
5802 1 14 . 1 1 51 51 VAL N N 51 122.060 122.060 124.224 -2.164 18088
5803 1 14 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.647 0.253 18088
5804 1 14 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.212 -0.482 18088
5805 1 14 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.555 0.395 18088
5806 1 14 . 1 1 51 51 VAL H H 51 7.820 7.820 8.814 -0.994 18088
5807 1 14 . 1 1 52 52 ASP N N 52 120.090 120.090 120.611 -0.521 18088
5808 1 14 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.297 0.083 18088
5809 1 14 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.422 -0.162 18088
5810 1 14 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.032 0.548 18088
5811 1 14 . 1 1 52 52 ASP H H 52 8.190 8.190 8.104 0.086 18088
5812 1 14 . 1 1 53 53 ALA N N 53 122.110 122.110 122.216 -0.106 18088
5813 1 14 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.088 -0.048 18088
5814 1 14 . 1 1 53 53 ALA CA C 53 54.600 54.600 55.043 -0.443 18088
5815 1 14 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.878 -0.198 18088
5816 1 14 . 1 1 53 53 ALA H H 53 7.620 7.620 7.813 -0.193 18088
5817 1 14 . 1 1 54 54 VAL N N 54 118.070 118.070 119.344 -1.274 18088
5818 1 14 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.469 -0.049 18088
5819 1 14 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.819 -0.479 18088
5820 1 14 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.559 0.450 18088
5821 1 14 . 1 1 54 54 VAL H H 54 7.380 7.380 7.627 -0.247 18088
5822 1 14 . 1 1 55 55 ASP N N 55 119.590 119.590 118.738 0.852 18088
5823 1 14 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.485 -0.175 18088
5824 1 14 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.934 0.436 18088
5825 1 14 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.733 0.227 18088
5826 1 14 . 1 1 55 55 ASP H H 55 8.500 8.500 8.301 0.199 18088
5827 1 14 . 1 1 56 56 LYS N N 56 118.010 118.010 120.424 -2.414 18088
5828 1 14 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.012 -0.072 18088
5829 1 14 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.473 0.287 18088
5830 1 14 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.597 -0.087 18088
5831 1 14 . 1 1 56 56 LYS H H 56 7.970 7.970 7.494 0.476 18088
5832 1 14 . 1 1 57 57 VAL N N 57 119.390 119.390 119.931 -0.541 18088
5833 1 14 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.616 0.094 18088
5834 1 14 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.081 -0.041 18088
5835 1 14 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.851 0.249 18088
5836 1 14 . 1 1 57 57 VAL H H 57 7.310 7.310 8.407 -1.097 18088
5837 1 14 . 1 1 58 58 MET N N 58 116.040 116.040 116.673 -0.633 18088
5838 1 14 . 1 1 58 58 MET HA H 58 4.120 4.120 4.157 -0.037 18088
5839 1 14 . 1 1 58 58 MET CA C 58 57.430 57.430 58.087 -0.657 18088
5840 1 14 . 1 1 58 58 MET CB C 58 31.260 31.260 31.820 -0.560 18088
5841 1 14 . 1 1 58 58 MET H H 58 8.370 8.370 7.695 0.675 18088
5842 1 14 . 1 1 59 59 LYS N N 59 118.900 118.900 119.886 -0.986 18088
5843 1 14 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.117 -0.047 18088
5844 1 14 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.806 0.324 18088
5845 1 14 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.345 0.045 18088
5846 1 14 . 1 1 59 59 LYS H H 59 8.600 8.600 8.011 0.589 18088
5847 1 14 . 1 1 60 60 GLU N N 60 119.880 119.880 120.427 -0.547 18088
5848 1 14 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.252 -0.212 18088
5849 1 14 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.454 0.076 18088
5850 1 14 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.768 -1.218 18088
5851 1 14 . 1 1 60 60 GLU H H 60 7.430 7.430 7.901 -0.471 18088
5852 1 14 . 1 1 61 61 LEU N N 61 116.900 116.900 117.243 -0.343 18088
5853 1 14 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.180 -0.240 18088
5854 1 14 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.088 0.122 18088
5855 1 14 . 1 1 61 61 LEU CB C 61 40.530 40.530 42.091 -1.561 18088
5856 1 14 . 1 1 61 61 LEU H H 61 7.600 7.600 7.457 0.143 18088
5857 1 14 . 1 1 62 62 ASP N N 62 115.990 115.990 118.562 -2.572 18088
5858 1 14 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.345 0.125 18088
5859 1 14 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.309 -1.189 18088
5860 1 14 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.361 0.169 18088
5861 1 14 . 1 1 62 62 ASP H H 62 7.590 7.590 7.558 0.032 18088
5862 1 14 . 1 1 63 63 GLU N N 63 118.920 118.920 118.282 0.638 18088
5863 1 14 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.081 0.029 18088
5864 1 14 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.868 -0.838 18088
5865 1 14 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.394 0.606 18088
5866 1 14 . 1 1 63 63 GLU H H 63 8.120 8.120 7.887 0.233 18088
5867 1 14 . 1 1 64 64 ASN N N 64 117.750 117.750 117.516 0.234 18088
5868 1 14 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.892 0.278 18088
5869 1 14 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.751 -0.881 18088
5870 1 14 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.260 0.350 18088
5871 1 14 . 1 1 64 64 ASN H H 64 7.730 7.730 7.633 0.096 18088
5872 1 14 . 1 1 65 65 GLY N N 65 107.100 107.100 110.329 -3.229 18088
5873 1 14 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.541 0.339 18088
5874 1 14 . 1 1 65 65 GLY H H 65 7.750 7.750 8.003 -0.253 18088
5875 1 14 . 1 1 66 66 ASP N N 66 115.630 115.630 121.434 -5.804 18088
5876 1 14 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.520 0.310 18088
5877 1 14 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.638 -0.588 18088
5878 1 14 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.398 0.162 18088
5879 1 14 . 1 1 66 66 ASP H H 66 8.320 8.320 8.238 0.082 18088
5880 1 14 . 1 1 67 67 GLY N N 67 109.240 109.240 107.934 1.306 18088
5881 1 14 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.132 -0.342 18088
5882 1 14 . 1 1 67 67 GLY H H 67 8.260 8.260 8.036 0.224 18088
5883 1 14 . 1 1 68 68 GLU N N 68 117.540 117.540 117.231 0.309 18088
5884 1 14 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.591 0.659 18088
5885 1 14 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.414 -0.444 18088
5886 1 14 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.485 0.405 18088
5887 1 14 . 1 1 68 68 GLU H H 68 8.500 8.500 8.045 0.455 18088
5888 1 14 . 1 1 69 69 VAL N N 69 115.550 115.550 117.503 -1.953 18088
5889 1 14 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.553 0.407 18088
5890 1 14 . 1 1 69 69 VAL CA C 69 59.070 59.070 60.141 -1.071 18088
5891 1 14 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.716 -0.706 18088
5892 1 14 . 1 1 69 69 VAL H H 69 9.190 9.190 8.145 1.045 18088
5893 1 14 . 1 1 70 70 ASP N N 70 121.130 121.130 120.307 0.823 18088
5894 1 14 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.068 0.492 18088
5895 1 14 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.893 -1.893 18088
5896 1 14 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.514 0.155 18088
5897 1 14 . 1 1 70 70 ASP H H 70 8.320 8.320 8.143 0.177 18088
5898 1 14 . 1 1 71 71 PHE N N 71 119.290 119.290 120.232 -0.942 18088
5899 1 14 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.058 -0.588 18088
5900 1 14 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.612 -0.152 18088
5901 1 14 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.394 0.836 18088
5902 1 14 . 1 1 71 71 PHE H H 71 9.480 9.480 8.550 0.930 18088
5903 1 14 . 1 1 72 72 GLN N N 72 116.810 116.810 118.688 -1.878 18088
5904 1 14 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.889 -0.479 18088
5905 1 14 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.294 1.356 18088
5906 1 14 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.165 0.565 18088
5907 1 14 . 1 1 72 72 GLN H H 72 8.140 8.140 8.682 -0.542 18088
5908 1 14 . 1 1 73 73 GLU N N 73 119.590 119.590 118.392 1.198 18088
5909 1 14 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.159 -0.199 18088
5910 1 14 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.226 0.904 18088
5911 1 14 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.111 1.079 18088
5912 1 14 . 1 1 73 73 GLU H H 73 8.260 8.260 8.123 0.137 18088
5913 1 14 . 1 1 74 74 TYR N N 74 122.520 122.520 121.183 1.337 18088
5914 1 14 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.135 0.195 18088
5915 1 14 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.057 -0.937 18088
5916 1 14 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.104 -1.394 18088
5917 1 14 . 1 1 74 74 TYR H H 74 8.240 8.240 7.527 0.713 18088
5918 1 14 . 1 1 75 75 VAL N N 75 120.300 120.300 118.539 1.761 18088
5919 1 14 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.515 -0.865 18088
5920 1 14 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.395 0.485 18088
5921 1 14 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.350 -0.920 18088
5922 1 14 . 1 1 75 75 VAL H H 75 7.980 7.980 7.512 0.468 18088
5923 1 14 . 1 1 76 76 VAL N N 76 119.180 119.180 119.577 -0.397 18088
5924 1 14 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.529 -0.199 18088
5925 1 14 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.413 0.237 18088
5926 1 14 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.144 0.446 18088
5927 1 14 . 1 1 76 76 VAL H H 76 7.560 7.560 7.270 0.290 18088
5928 1 14 . 1 1 77 77 LEU N N 77 121.440 121.440 118.899 2.541 18088
5929 1 14 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.053 0.087 18088
5930 1 14 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.023 0.157 18088
5931 1 14 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.331 0.619 18088
5932 1 14 . 1 1 77 77 LEU H H 77 7.740 7.740 7.346 0.394 18088
5933 1 14 . 1 1 78 78 VAL N N 78 119.220 119.220 117.100 2.120 18088
5934 1 14 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.583 -0.143 18088
5935 1 14 . 1 1 78 78 VAL CA C 78 67.130 67.130 64.688 2.442 18088
5936 1 14 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.312 0.998 18088
5937 1 14 . 1 1 78 78 VAL H H 78 8.320 8.320 7.045 1.275 18088
5938 1 14 . 1 1 79 79 ALA N N 79 124.780 124.780 121.752 3.028 18088
5939 1 14 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.194 -0.184 18088
5940 1 14 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.861 2.000 18088
5941 1 14 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.408 -0.448 18088
5942 1 14 . 1 1 79 79 ALA H H 79 9.000 9.000 8.463 0.537 18088
5943 1 14 . 1 1 80 80 ALA N N 80 121.760 121.760 121.456 0.304 18088
5944 1 14 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.984 -0.064 18088
5945 1 14 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.564 0.606 18088
5946 1 14 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.226 -0.746 18088
5947 1 14 . 1 1 80 80 ALA H H 80 8.240 8.240 7.411 0.829 18088
5948 1 14 . 1 1 81 81 LEU N N 81 118.310 118.310 117.577 0.733 18088
5949 1 14 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.045 -0.395 18088
5950 1 14 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.387 -0.077 18088
5951 1 14 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.891 -1.241 18088
5952 1 14 . 1 1 81 81 LEU H H 81 7.920 7.920 7.380 0.540 18088
5953 1 14 . 1 1 82 82 THR N N 82 116.240 116.240 115.826 0.414 18088
5954 1 14 . 1 1 82 82 THR HA H 82 3.710 3.710 3.906 -0.196 18088
5955 1 14 . 1 1 82 82 THR CA C 82 68.770 68.770 66.421 2.349 18088
5956 1 14 . 1 1 82 82 THR CB C 82 67.420 67.420 68.356 -0.936 18088
5957 1 14 . 1 1 82 82 THR H H 82 8.120 8.120 7.575 0.545 18088
5958 1 14 . 1 1 83 83 VAL N N 83 120.000 120.000 112.032 7.968 18088
5959 1 14 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.644 -0.614 18088
5960 1 14 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.547 3.404 18088
5961 1 14 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.251 -0.401 18088
5962 1 14 . 1 1 83 83 VAL H H 83 7.780 7.780 7.223 0.557 18088
5963 1 14 . 1 1 87 87 ASN N N 87 124.810 124.810 117.244 7.566 18088
5964 1 14 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.231 -0.001 18088
5965 1 14 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.425 1.605 18088
5966 1 14 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.168 0.102 18088
5967 1 14 . 1 1 87 87 ASN H H 87 9.130 9.130 7.730 1.400 18088
5968 1 14 . 1 1 88 88 PHE N N 88 120.680 120.680 113.931 6.749 18088
5969 1 14 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.202 -0.112 18088
5970 1 14 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.455 1.375 18088
5971 1 14 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.267 0.043 18088
5972 1 14 . 1 1 88 88 PHE H H 88 8.650 8.650 7.611 1.039 18088
5973 1 14 . 1 1 89 89 PHE N N 89 112.580 112.580 114.708 -2.128 18088
5974 1 14 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.735 -0.935 18088
5975 1 14 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.721 1.189 18088
5976 1 14 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.466 -2.586 18088
5977 1 14 . 1 1 89 89 PHE H H 89 7.410 7.410 7.334 0.076 18088
5978 1 14 . 1 1 90 90 TRP N N 90 118.690 118.690 122.467 -3.777 18088
5979 1 14 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.694 -0.104 18088
5980 1 14 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.529 -0.229 18088
5981 1 14 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.590 3.590 18088
5982 1 14 . 1 1 90 90 TRP H H 90 7.370 7.370 8.397 -1.027 18088
5983 1 14 . 1 1 91 91 GLU N N 91 121.380 121.380 120.394 0.986 18088
5984 1 14 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.385 -0.045 18088
5985 1 14 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.389 0.081 18088
5986 1 14 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.908 -0.478 18088
5987 1 14 . 1 1 91 91 GLU H H 91 7.820 7.820 8.200 -0.380 18088
5988 1 14 . 1 1 92 92 ASN N N 92 120.640 120.640 122.987 -2.347 18088
5989 1 14 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.741 0.059 18088
5990 1 14 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.617 -0.077 18088
5991 1 14 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.641 0.339 18088
5992 1 14 . 1 1 92 92 ASN H H 92 8.560 8.560 8.699 -0.139 18088
5993 1 15 . 1 1 2 2 SER N N 2 118.720 118.720 117.323 1.397 18088
5994 1 15 . 1 1 2 2 SER HA H 2 4.690 4.690 4.601 0.089 18088
5995 1 15 . 1 1 2 2 SER CA C 2 57.270 57.270 57.383 -0.113 18088
5996 1 15 . 1 1 2 2 SER CB C 2 65.140 65.140 65.058 0.082 18088
5997 1 15 . 1 1 2 2 SER H H 2 9.270 9.270 8.364 0.906 18088
5998 1 15 . 1 1 3 3 GLU N N 3 122.920 122.920 123.999 -1.079 18088
5999 1 15 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.121 -0.001 18088
6000 1 15 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.111 1.379 18088
6001 1 15 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.448 -0.478 18088
6002 1 15 . 1 1 3 3 GLU H H 3 9.260 9.260 8.974 0.286 18088
6003 1 15 . 1 1 4 4 LEU N N 4 121.140 121.140 117.279 3.861 18088
6004 1 15 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.083 -0.043 18088
6005 1 15 . 1 1 4 4 LEU CA C 4 58.060 58.060 58.494 -0.434 18088
6006 1 15 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.256 0.934 18088
6007 1 15 . 1 1 4 4 LEU H H 4 8.920 8.920 7.626 1.294 18088
6008 1 15 . 1 1 5 5 GLU N N 5 118.710 118.710 119.716 -1.006 18088
6009 1 15 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.040 -0.760 18088
6010 1 15 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.291 0.379 18088
6011 1 15 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.623 -0.473 18088
6012 1 15 . 1 1 5 5 GLU H H 5 7.880 7.880 7.819 0.061 18088
6013 1 15 . 1 1 6 6 THR N N 6 116.050 116.050 116.694 -0.644 18088
6014 1 15 . 1 1 6 6 THR HA H 6 4.020 4.020 4.055 -0.035 18088
6015 1 15 . 1 1 6 6 THR CA C 6 66.580 66.580 66.472 0.108 18088
6016 1 15 . 1 1 6 6 THR CB C 6 68.620 68.620 68.463 0.157 18088
6017 1 15 . 1 1 6 6 THR H H 6 8.440 8.440 7.700 0.740 18088
6018 1 15 . 1 1 7 7 ALA N N 7 125.840 125.840 124.926 0.914 18088
6019 1 15 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.000 0.280 18088
6020 1 15 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.278 0.322 18088
6021 1 15 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.275 -0.205 18088
6022 1 15 . 1 1 7 7 ALA H H 7 8.320 8.320 8.256 0.064 18088
6023 1 15 . 1 1 8 8 MET N N 8 115.330 115.330 115.985 -0.655 18088
6024 1 15 . 1 1 8 8 MET HA H 8 4.860 4.860 4.176 0.684 18088
6025 1 15 . 1 1 8 8 MET CA C 8 56.510 56.510 57.663 -1.153 18088
6026 1 15 . 1 1 8 8 MET CB C 8 28.930 28.930 31.628 -2.698 18088
6027 1 15 . 1 1 8 8 MET H H 8 8.150 8.150 7.664 0.486 18088
6028 1 15 . 1 1 9 9 GLU N N 9 120.410 120.410 118.110 2.300 18088
6029 1 15 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.022 0.138 18088
6030 1 15 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.822 0.128 18088
6031 1 15 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.429 -0.609 18088
6032 1 15 . 1 1 9 9 GLU H H 9 8.760 8.760 7.989 0.771 18088
6033 1 15 . 1 1 10 10 THR N N 10 118.820 118.820 113.161 5.659 18088
6034 1 15 . 1 1 10 10 THR HA H 10 4.130 4.130 4.171 -0.041 18088
6035 1 15 . 1 1 10 10 THR CA C 10 67.180 67.180 66.066 1.114 18088
6036 1 15 . 1 1 10 10 THR CB C 10 67.770 67.770 68.574 -0.804 18088
6037 1 15 . 1 1 10 10 THR H H 10 8.510 8.510 7.781 0.729 18088
6038 1 15 . 1 1 11 11 LEU N N 11 121.840 121.840 122.346 -0.506 18088
6039 1 15 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.408 -0.328 18088
6040 1 15 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.857 2.393 18088
6041 1 15 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.121 0.779 18088
6042 1 15 . 1 1 11 11 LEU H H 11 8.380 8.380 7.444 0.936 18088
6043 1 15 . 1 1 12 12 ILE N N 12 121.310 121.310 119.007 2.303 18088
6044 1 15 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.676 -0.136 18088
6045 1 15 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.706 0.414 18088
6046 1 15 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.135 1.206 18088
6047 1 15 . 1 1 12 12 ILE H H 12 8.520 8.520 7.628 0.892 18088
6048 1 15 . 1 1 13 13 ASN N N 13 120.570 120.570 117.606 2.964 18088
6049 1 15 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.424 -0.054 18088
6050 1 15 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.085 0.455 18088
6051 1 15 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.000 -0.090 18088
6052 1 15 . 1 1 13 13 ASN H H 13 8.700 8.700 7.736 0.964 18088
6053 1 15 . 1 1 14 14 VAL N N 14 122.040 122.040 119.757 2.283 18088
6054 1 15 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.749 0.131 18088
6055 1 15 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.561 0.949 18088
6056 1 15 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.338 0.482 18088
6057 1 15 . 1 1 14 14 VAL H H 14 8.900 8.900 7.267 1.633 18088
6058 1 15 . 1 1 15 15 PHE N N 15 120.410 120.410 119.981 0.429 18088
6059 1 15 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.783 -0.203 18088
6060 1 15 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.036 1.343 18088
6061 1 15 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.031 0.399 18088
6062 1 15 . 1 1 15 15 PHE H H 15 7.490 7.490 7.391 0.099 18088
6063 1 15 . 1 1 16 16 HIS N N 16 118.200 118.200 117.808 0.392 18088
6064 1 15 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.200 1.020 18088
6065 1 15 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.668 -2.338 18088
6066 1 15 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.781 0.399 18088
6067 1 15 . 1 1 16 16 HIS H H 16 9.280 9.280 8.246 1.034 18088
6068 1 15 . 1 1 17 17 ALA N N 17 121.060 121.060 123.110 -2.050 18088
6069 1 15 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.913 -0.083 18088
6070 1 15 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.176 0.254 18088
6071 1 15 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.218 -0.688 18088
6072 1 15 . 1 1 17 17 ALA H H 17 8.180 8.180 7.530 0.650 18088
6073 1 15 . 1 1 18 18 HIS N N 18 112.580 112.580 115.281 -2.701 18088
6074 1 15 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.633 -0.253 18088
6075 1 15 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.462 1.968 18088
6076 1 15 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.458 1.492 18088
6077 1 15 . 1 1 18 18 HIS H H 18 7.410 7.410 7.707 -0.297 18088
6078 1 15 . 1 1 19 19 SER HA H 19 4.100 4.100 3.875 0.225 18088
6079 1 15 . 1 1 19 19 SER CA C 19 60.250 60.250 59.844 0.406 18088
6080 1 15 . 1 1 19 19 SER CB C 19 61.700 61.700 63.337 -1.637 18088
6081 1 15 . 1 1 20 20 GLY N N 20 106.830 106.830 116.120 -9.290 18088
6082 1 15 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.129 0.021 18088
6083 1 15 . 1 1 20 20 GLY H H 20 8.260 8.260 8.475 -0.215 18088
6084 1 15 . 1 1 21 21 LYS N N 21 120.310 120.310 123.679 -3.369 18088
6085 1 15 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.386 -0.416 18088
6086 1 15 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.654 1.846 18088
6087 1 15 . 1 1 21 21 LYS CB C 21 32.700 32.700 33.154 -0.454 18088
6088 1 15 . 1 1 21 21 LYS H H 21 7.670 7.670 8.396 -0.726 18088
6089 1 15 . 1 1 22 22 GLU N N 22 117.240 117.240 120.246 -3.006 18088
6090 1 15 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.229 0.201 18088
6091 1 15 . 1 1 22 22 GLU CA C 22 55.320 55.320 58.143 -2.823 18088
6092 1 15 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.003 1.147 18088
6093 1 15 . 1 1 22 22 GLU H H 22 7.870 7.870 8.669 -0.799 18088
6094 1 15 . 1 1 23 23 GLY N N 23 107.910 107.910 106.471 1.439 18088
6095 1 15 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.854 1.006 18088
6096 1 15 . 1 1 23 23 GLY H H 23 8.110 8.110 8.410 -0.300 18088
6097 1 15 . 1 1 24 24 ASP N N 24 122.900 122.900 122.190 0.710 18088
6098 1 15 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.997 -0.447 18088
6099 1 15 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.445 0.045 18088
6100 1 15 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.245 1.115 18088
6101 1 15 . 1 1 24 24 ASP H H 24 8.180 8.180 8.335 -0.155 18088
6102 1 15 . 1 1 25 25 LYS N N 25 124.810 124.810 124.134 0.676 18088
6103 1 15 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.190 -0.100 18088
6104 1 15 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.844 -1.464 18088
6105 1 15 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.617 -0.667 18088
6106 1 15 . 1 1 25 25 LYS H H 25 8.440 8.440 8.898 -0.458 18088
6107 1 15 . 1 1 26 26 TYR N N 26 117.200 117.200 115.530 1.670 18088
6108 1 15 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.489 0.631 18088
6109 1 15 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.228 -1.878 18088
6110 1 15 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.083 -0.413 18088
6111 1 15 . 1 1 26 26 TYR H H 26 8.490 8.490 8.341 0.149 18088
6112 1 15 . 1 1 27 27 LYS N N 27 118.320 118.320 117.365 0.955 18088
6113 1 15 . 1 1 27 27 LYS HA H 27 5.480 5.480 5.068 0.412 18088
6114 1 15 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.098 -0.338 18088
6115 1 15 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.139 1.282 18088
6116 1 15 . 1 1 27 27 LYS H H 27 7.870 7.870 7.807 0.063 18088
6117 1 15 . 1 1 28 28 LEU N N 28 121.530 121.530 121.821 -0.291 18088
6118 1 15 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.766 -0.046 18088
6119 1 15 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.344 -0.625 18088
6120 1 15 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.153 0.227 18088
6121 1 15 . 1 1 28 28 LEU H H 28 8.840 8.840 8.181 0.659 18088
6122 1 15 . 1 1 29 29 SER N N 29 120.620 120.620 116.626 3.994 18088
6123 1 15 . 1 1 29 29 SER HA H 29 5.040 5.040 4.644 0.396 18088
6124 1 15 . 1 1 29 29 SER CA C 29 57.850 57.850 58.286 -0.436 18088
6125 1 15 . 1 1 29 29 SER CB C 29 64.240 64.240 63.972 0.268 18088
6126 1 15 . 1 1 29 29 SER H H 29 8.940 8.940 8.537 0.403 18088
6127 1 15 . 1 1 30 30 LYS N N 30 124.390 124.390 121.845 2.545 18088
6128 1 15 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.180 -0.320 18088
6129 1 15 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.648 1.812 18088
6130 1 15 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.552 -0.732 18088
6131 1 15 . 1 1 30 30 LYS H H 30 8.810 8.810 8.698 0.112 18088
6132 1 15 . 1 1 31 31 LYS N N 31 120.250 120.250 119.536 0.714 18088
6133 1 15 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.950 0.220 18088
6134 1 15 . 1 1 31 31 LYS CA C 31 59.290 59.290 60.162 -0.872 18088
6135 1 15 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.812 0.658 18088
6136 1 15 . 1 1 31 31 LYS H H 31 8.740 8.740 7.837 0.903 18088
6137 1 15 . 1 1 32 32 GLU N N 32 121.570 121.570 119.503 2.067 18088
6138 1 15 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.112 -0.032 18088
6139 1 15 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.364 -0.084 18088
6140 1 15 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.925 0.315 18088
6141 1 15 . 1 1 32 32 GLU H H 32 7.790 7.790 8.721 -0.931 18088
6142 1 15 . 1 1 33 33 LEU N N 33 121.720 121.720 121.146 0.574 18088
6143 1 15 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.178 -0.178 18088
6144 1 15 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.575 -0.385 18088
6145 1 15 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.070 -1.590 18088
6146 1 15 . 1 1 33 33 LEU H H 33 8.890 8.890 7.184 1.706 18088
6147 1 15 . 1 1 34 34 LYS N N 34 120.420 120.420 119.453 0.967 18088
6148 1 15 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.847 -0.227 18088
6149 1 15 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.597 0.243 18088
6150 1 15 . 1 1 34 34 LYS CB C 34 31.750 31.750 31.982 -0.232 18088
6151 1 15 . 1 1 34 34 LYS H H 34 8.420 8.420 7.742 0.678 18088
6152 1 15 . 1 1 35 35 GLU N N 35 117.260 117.260 119.173 -1.913 18088
6153 1 15 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.024 0.046 18088
6154 1 15 . 1 1 35 35 GLU CA C 35 59.250 59.250 59.000 0.250 18088
6155 1 15 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.746 -0.696 18088
6156 1 15 . 1 1 35 35 GLU H H 35 7.220 7.220 7.560 -0.340 18088
6157 1 15 . 1 1 36 36 LEU N N 36 122.740 122.740 120.864 1.876 18088
6158 1 15 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.956 -0.226 18088
6159 1 15 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.335 0.885 18088
6160 1 15 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.474 0.726 18088
6161 1 15 . 1 1 36 36 LEU H H 36 8.330 8.330 7.454 0.876 18088
6162 1 15 . 1 1 37 37 LEU N N 37 120.360 120.360 115.178 5.182 18088
6163 1 15 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.373 -0.693 18088
6164 1 15 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.862 0.408 18088
6165 1 15 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.447 0.053 18088
6166 1 15 . 1 1 37 37 LEU H H 37 8.790 8.790 7.838 0.952 18088
6167 1 15 . 1 1 38 38 GLN N N 38 113.560 113.560 116.912 -3.352 18088
6168 1 15 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.030 -0.310 18088
6169 1 15 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.834 -0.154 18088
6170 1 15 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.961 -0.201 18088
6171 1 15 . 1 1 38 38 GLN H H 38 8.100 8.100 8.565 -0.465 18088
6172 1 15 . 1 1 39 39 THR N N 39 109.810 109.810 113.844 -4.034 18088
6173 1 15 . 1 1 39 39 THR HA H 39 4.280 4.280 4.351 -0.071 18088
6174 1 15 . 1 1 39 39 THR CA C 39 64.510 64.510 64.882 -0.372 18088
6175 1 15 . 1 1 39 39 THR CB C 39 69.740 69.740 68.888 0.852 18088
6176 1 15 . 1 1 39 39 THR H H 39 7.690 7.690 8.050 -0.360 18088
6177 1 15 . 1 1 40 40 GLU N N 40 118.480 118.480 122.040 -3.560 18088
6178 1 15 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.299 0.431 18088
6179 1 15 . 1 1 40 40 GLU CA C 40 56.690 56.690 59.072 -2.382 18088
6180 1 15 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.175 -0.085 18088
6181 1 15 . 1 1 40 40 GLU H H 40 9.000 9.000 8.165 0.835 18088
6182 1 15 . 1 1 41 41 LEU N N 41 120.000 120.000 120.225 -0.225 18088
6183 1 15 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.516 0.634 18088
6184 1 15 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.253 -0.013 18088
6185 1 15 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.860 0.390 18088
6186 1 15 . 1 1 41 41 LEU H H 41 7.890 7.890 7.557 0.333 18088
6187 1 15 . 1 1 42 42 SER N N 42 112.560 112.560 116.085 -3.525 18088
6188 1 15 . 1 1 42 42 SER HA H 42 3.840 3.840 4.112 -0.272 18088
6189 1 15 . 1 1 42 42 SER CA C 42 61.610 61.610 60.559 1.051 18088
6190 1 15 . 1 1 42 42 SER CB C 42 62.780 62.780 62.830 -0.049 18088
6191 1 15 . 1 1 42 42 SER H H 42 6.890 6.890 7.819 -0.929 18088
6192 1 15 . 1 1 43 43 GLY N N 43 114.540 114.540 109.339 5.201 18088
6193 1 15 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.086 -0.426 18088
6194 1 15 . 1 1 43 43 GLY H H 43 9.310 9.310 8.016 1.294 18088
6195 1 15 . 1 1 44 44 PHE N N 44 125.000 125.000 121.007 3.993 18088
6196 1 15 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.299 0.281 18088
6197 1 15 . 1 1 44 44 PHE CA C 44 57.610 57.610 60.056 -2.446 18088
6198 1 15 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.267 -1.806 18088
6199 1 15 . 1 1 44 44 PHE H H 44 8.400 8.400 6.851 1.549 18088
6200 1 15 . 1 1 45 45 LEU N N 45 116.880 116.880 119.066 -2.186 18088
6201 1 15 . 1 1 45 45 LEU HA H 45 3.510 3.510 3.996 -0.486 18088
6202 1 15 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.365 -0.125 18088
6203 1 15 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.664 -0.144 18088
6204 1 15 . 1 1 45 45 LEU H H 45 8.550 8.550 8.112 0.438 18088
6205 1 15 . 1 1 46 46 ASP N N 46 119.260 119.260 119.802 -0.542 18088
6206 1 15 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.502 0.218 18088
6207 1 15 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.334 -1.204 18088
6208 1 15 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.912 0.548 18088
6209 1 15 . 1 1 46 46 ASP H H 46 7.460 7.460 7.608 -0.148 18088
6210 1 15 . 1 1 47 47 ALA N N 47 124.850 124.850 123.025 1.825 18088
6211 1 15 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.320 0.220 18088
6212 1 15 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.561 -0.871 18088
6213 1 15 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.510 1.280 18088
6214 1 15 . 1 1 47 47 ALA H H 47 7.620 7.620 7.604 0.016 18088
6215 1 15 . 1 1 48 48 GLN N N 48 116.830 116.830 118.055 -1.225 18088
6216 1 15 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.245 -0.445 18088
6217 1 15 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.339 0.811 18088
6218 1 15 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.091 0.719 18088
6219 1 15 . 1 1 48 48 GLN H H 48 7.740 7.740 7.987 -0.247 18088
6220 1 15 . 1 1 49 49 LYS N N 49 121.570 121.570 125.039 -3.469 18088
6221 1 15 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.523 -0.403 18088
6222 1 15 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.764 -0.934 18088
6223 1 15 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.456 -3.406 18088
6224 1 15 . 1 1 49 49 LYS H H 49 7.790 7.790 8.478 -0.688 18088
6225 1 15 . 1 1 50 50 ASP N N 50 118.910 118.910 123.582 -4.672 18088
6226 1 15 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.611 0.079 18088
6227 1 15 . 1 1 50 50 ASP CA C 50 51.830 51.830 54.395 -2.564 18088
6228 1 15 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.571 0.379 18088
6229 1 15 . 1 1 50 50 ASP H H 50 7.480 7.480 8.179 -0.699 18088
6230 1 15 . 1 1 51 51 VAL N N 51 122.060 122.060 123.196 -1.136 18088
6231 1 15 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.618 0.282 18088
6232 1 15 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.668 -0.938 18088
6233 1 15 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.703 0.247 18088
6234 1 15 . 1 1 51 51 VAL H H 51 7.820 7.820 8.789 -0.969 18088
6235 1 15 . 1 1 52 52 ASP N N 52 120.090 120.090 120.495 -0.405 18088
6236 1 15 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.344 0.036 18088
6237 1 15 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.658 -0.398 18088
6238 1 15 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.993 0.587 18088
6239 1 15 . 1 1 52 52 ASP H H 52 8.190 8.190 8.370 -0.180 18088
6240 1 15 . 1 1 53 53 ALA N N 53 122.110 122.110 122.999 -0.889 18088
6241 1 15 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.268 -0.228 18088
6242 1 15 . 1 1 53 53 ALA CA C 53 54.600 54.600 55.001 -0.401 18088
6243 1 15 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.822 -0.142 18088
6244 1 15 . 1 1 53 53 ALA H H 53 7.620 7.620 8.846 -1.226 18088
6245 1 15 . 1 1 54 54 VAL N N 54 118.070 118.070 119.382 -1.312 18088
6246 1 15 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.492 -0.072 18088
6247 1 15 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.889 -0.550 18088
6248 1 15 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.529 0.481 18088
6249 1 15 . 1 1 54 54 VAL H H 54 7.380 7.380 7.724 -0.344 18088
6250 1 15 . 1 1 55 55 ASP N N 55 119.590 119.590 118.750 0.840 18088
6251 1 15 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.525 -0.215 18088
6252 1 15 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.841 0.529 18088
6253 1 15 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.754 0.206 18088
6254 1 15 . 1 1 55 55 ASP H H 55 8.500 8.500 8.324 0.176 18088
6255 1 15 . 1 1 56 56 LYS N N 56 118.010 118.010 120.437 -2.427 18088
6256 1 15 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.093 -0.153 18088
6257 1 15 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.277 0.483 18088
6258 1 15 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.789 -0.279 18088
6259 1 15 . 1 1 56 56 LYS H H 56 7.970 7.970 7.463 0.507 18088
6260 1 15 . 1 1 57 57 VAL N N 57 119.390 119.390 120.156 -0.766 18088
6261 1 15 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.675 0.035 18088
6262 1 15 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.036 0.004 18088
6263 1 15 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.958 0.142 18088
6264 1 15 . 1 1 57 57 VAL H H 57 7.310 7.310 8.566 -1.256 18088
6265 1 15 . 1 1 58 58 MET N N 58 116.040 116.040 116.970 -0.930 18088
6266 1 15 . 1 1 58 58 MET HA H 58 4.120 4.120 4.184 -0.064 18088
6267 1 15 . 1 1 58 58 MET CA C 58 57.430 57.430 57.767 -0.337 18088
6268 1 15 . 1 1 58 58 MET CB C 58 31.260 31.260 31.681 -0.421 18088
6269 1 15 . 1 1 58 58 MET H H 58 8.370 8.370 7.752 0.618 18088
6270 1 15 . 1 1 59 59 LYS N N 59 118.900 118.900 119.031 -0.131 18088
6271 1 15 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.050 0.020 18088
6272 1 15 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.290 -0.160 18088
6273 1 15 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.285 0.105 18088
6274 1 15 . 1 1 59 59 LYS H H 59 8.600 8.600 7.822 0.778 18088
6275 1 15 . 1 1 60 60 GLU N N 60 119.880 119.880 119.874 0.006 18088
6276 1 15 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.295 -0.255 18088
6277 1 15 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.069 0.461 18088
6278 1 15 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.635 -1.085 18088
6279 1 15 . 1 1 60 60 GLU H H 60 7.430 7.430 7.612 -0.182 18088
6280 1 15 . 1 1 61 61 LEU N N 61 116.900 116.900 118.619 -1.719 18088
6281 1 15 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.167 -0.227 18088
6282 1 15 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.523 -0.313 18088
6283 1 15 . 1 1 61 61 LEU CB C 61 40.530 40.530 42.023 -1.493 18088
6284 1 15 . 1 1 61 61 LEU H H 61 7.600 7.600 7.434 0.166 18088
6285 1 15 . 1 1 62 62 ASP N N 62 115.990 115.990 118.884 -2.894 18088
6286 1 15 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.312 0.158 18088
6287 1 15 . 1 1 62 62 ASP CA C 62 56.120 56.120 56.956 -0.836 18088
6288 1 15 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.193 0.337 18088
6289 1 15 . 1 1 62 62 ASP H H 62 7.590 7.590 7.851 -0.261 18088
6290 1 15 . 1 1 63 63 GLU N N 63 118.920 118.920 117.896 1.024 18088
6291 1 15 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.106 0.004 18088
6292 1 15 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.817 -0.787 18088
6293 1 15 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.327 0.673 18088
6294 1 15 . 1 1 63 63 GLU H H 63 8.120 8.120 7.870 0.250 18088
6295 1 15 . 1 1 64 64 ASN N N 64 117.750 117.750 117.715 0.035 18088
6296 1 15 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.938 0.232 18088
6297 1 15 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.573 -0.703 18088
6298 1 15 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.461 0.149 18088
6299 1 15 . 1 1 64 64 ASN H H 64 7.730 7.730 7.593 0.137 18088
6300 1 15 . 1 1 65 65 GLY N N 65 107.100 107.100 109.345 -2.245 18088
6301 1 15 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.284 0.596 18088
6302 1 15 . 1 1 65 65 GLY H H 65 7.750 7.750 8.031 -0.281 18088
6303 1 15 . 1 1 66 66 ASP N N 66 115.630 115.630 119.982 -4.352 18088
6304 1 15 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.835 -0.005 18088
6305 1 15 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.141 0.909 18088
6306 1 15 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.431 0.129 18088
6307 1 15 . 1 1 66 66 ASP H H 66 8.320 8.320 7.920 0.400 18088
6308 1 15 . 1 1 67 67 GLY N N 67 109.240 109.240 108.412 0.828 18088
6309 1 15 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.842 -0.052 18088
6310 1 15 . 1 1 67 67 GLY H H 67 8.260 8.260 8.241 0.019 18088
6311 1 15 . 1 1 68 68 GLU N N 68 117.540 117.540 117.935 -0.395 18088
6312 1 15 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.293 -0.043 18088
6313 1 15 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.393 -0.423 18088
6314 1 15 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.146 -0.256 18088
6315 1 15 . 1 1 68 68 GLU H H 68 8.500 8.500 8.299 0.201 18088
6316 1 15 . 1 1 69 69 VAL N N 69 115.550 115.550 118.281 -2.731 18088
6317 1 15 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.614 0.346 18088
6318 1 15 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.807 -0.737 18088
6319 1 15 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.670 -0.660 18088
6320 1 15 . 1 1 69 69 VAL H H 69 9.190 9.190 8.990 0.200 18088
6321 1 15 . 1 1 70 70 ASP N N 70 121.130 121.130 120.038 1.092 18088
6322 1 15 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.027 0.533 18088
6323 1 15 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.739 -1.740 18088
6324 1 15 . 1 1 70 70 ASP CB C 70 42.670 42.670 41.925 0.744 18088
6325 1 15 . 1 1 70 70 ASP H H 70 8.320 8.320 8.146 0.174 18088
6326 1 15 . 1 1 71 71 PHE N N 71 119.290 119.290 119.833 -0.543 18088
6327 1 15 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.595 -0.125 18088
6328 1 15 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.690 -0.230 18088
6329 1 15 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.851 0.379 18088
6330 1 15 . 1 1 71 71 PHE H H 71 9.480 9.480 8.619 0.861 18088
6331 1 15 . 1 1 72 72 GLN N N 72 116.810 116.810 118.669 -1.859 18088
6332 1 15 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.764 -0.354 18088
6333 1 15 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.331 1.319 18088
6334 1 15 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.067 0.663 18088
6335 1 15 . 1 1 72 72 GLN H H 72 8.140 8.140 8.775 -0.635 18088
6336 1 15 . 1 1 73 73 GLU N N 73 119.590 119.590 118.629 0.961 18088
6337 1 15 . 1 1 73 73 GLU HA H 73 3.960 3.960 3.998 -0.038 18088
6338 1 15 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.489 0.641 18088
6339 1 15 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.858 0.332 18088
6340 1 15 . 1 1 73 73 GLU H H 73 8.260 8.260 8.071 0.189 18088
6341 1 15 . 1 1 74 74 TYR N N 74 122.520 122.520 121.721 0.799 18088
6342 1 15 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.032 0.298 18088
6343 1 15 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.259 -1.139 18088
6344 1 15 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.165 -1.455 18088
6345 1 15 . 1 1 74 74 TYR H H 74 8.240 8.240 7.611 0.629 18088
6346 1 15 . 1 1 75 75 VAL N N 75 120.300 120.300 117.070 3.230 18088
6347 1 15 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.215 -0.565 18088
6348 1 15 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.051 0.829 18088
6349 1 15 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.937 -0.507 18088
6350 1 15 . 1 1 75 75 VAL H H 75 7.980 7.980 7.764 0.216 18088
6351 1 15 . 1 1 76 76 VAL N N 76 119.180 119.180 119.909 -0.729 18088
6352 1 15 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.514 -0.184 18088
6353 1 15 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.108 0.542 18088
6354 1 15 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.120 0.470 18088
6355 1 15 . 1 1 76 76 VAL H H 76 7.560 7.560 7.575 -0.015 18088
6356 1 15 . 1 1 77 77 LEU N N 77 121.440 121.440 120.460 0.980 18088
6357 1 15 . 1 1 77 77 LEU HA H 77 4.140 4.140 3.890 0.250 18088
6358 1 15 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.244 -0.064 18088
6359 1 15 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.542 0.408 18088
6360 1 15 . 1 1 77 77 LEU H H 77 7.740 7.740 7.884 -0.144 18088
6361 1 15 . 1 1 78 78 VAL N N 78 119.220 119.220 114.673 4.547 18088
6362 1 15 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.511 -0.071 18088
6363 1 15 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.670 1.460 18088
6364 1 15 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.544 0.766 18088
6365 1 15 . 1 1 78 78 VAL H H 78 8.320 8.320 7.239 1.081 18088
6366 1 15 . 1 1 79 79 ALA N N 79 124.780 124.780 121.361 3.419 18088
6367 1 15 . 1 1 79 79 ALA HA H 79 4.010 4.010 3.978 0.032 18088
6368 1 15 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.595 2.265 18088
6369 1 15 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.443 -0.483 18088
6370 1 15 . 1 1 79 79 ALA H H 79 9.000 9.000 7.489 1.511 18088
6371 1 15 . 1 1 80 80 ALA N N 80 121.760 121.760 121.474 0.286 18088
6372 1 15 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.900 0.020 18088
6373 1 15 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.617 0.553 18088
6374 1 15 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.224 -0.745 18088
6375 1 15 . 1 1 80 80 ALA H H 80 8.240 8.240 8.162 0.078 18088
6376 1 15 . 1 1 81 81 LEU N N 81 118.310 118.310 116.843 1.467 18088
6377 1 15 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.145 -0.495 18088
6378 1 15 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.386 -0.076 18088
6379 1 15 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.185 -1.535 18088
6380 1 15 . 1 1 81 81 LEU H H 81 7.920 7.920 7.574 0.346 18088
6381 1 15 . 1 1 82 82 THR N N 82 116.240 116.240 115.810 0.430 18088
6382 1 15 . 1 1 82 82 THR HA H 82 3.710 3.710 3.921 -0.211 18088
6383 1 15 . 1 1 82 82 THR CA C 82 68.770 68.770 66.577 2.193 18088
6384 1 15 . 1 1 82 82 THR CB C 82 67.420 67.420 68.581 -1.161 18088
6385 1 15 . 1 1 82 82 THR H H 82 8.120 8.120 7.447 0.673 18088
6386 1 15 . 1 1 83 83 VAL N N 83 120.000 120.000 112.609 7.391 18088
6387 1 15 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.732 -0.702 18088
6388 1 15 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.726 3.224 18088
6389 1 15 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.333 -0.483 18088
6390 1 15 . 1 1 83 83 VAL H H 83 7.780 7.780 7.292 0.488 18088
6391 1 15 . 1 1 87 87 ASN N N 87 124.810 124.810 117.496 7.314 18088
6392 1 15 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.228 0.002 18088
6393 1 15 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.270 1.760 18088
6394 1 15 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.260 0.010 18088
6395 1 15 . 1 1 87 87 ASN H H 87 9.130 9.130 7.649 1.481 18088
6396 1 15 . 1 1 88 88 PHE N N 88 120.680 120.680 114.520 6.160 18088
6397 1 15 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.014 0.076 18088
6398 1 15 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.650 1.180 18088
6399 1 15 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.729 0.581 18088
6400 1 15 . 1 1 88 88 PHE H H 88 8.650 8.650 7.431 1.219 18088
6401 1 15 . 1 1 89 89 PHE N N 89 112.580 112.580 113.835 -1.255 18088
6402 1 15 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.769 -0.969 18088
6403 1 15 . 1 1 89 89 PHE CA C 89 58.910 58.910 56.877 2.033 18088
6404 1 15 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.612 -1.732 18088
6405 1 15 . 1 1 89 89 PHE H H 89 7.410 7.410 7.216 0.194 18088
6406 1 15 . 1 1 90 90 TRP N N 90 118.690 118.690 122.298 -3.608 18088
6407 1 15 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.664 -0.074 18088
6408 1 15 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.569 -0.269 18088
6409 1 15 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.613 3.567 18088
6410 1 15 . 1 1 90 90 TRP H H 90 7.370 7.370 8.207 -0.837 18088
6411 1 15 . 1 1 91 91 GLU N N 91 121.380 121.380 119.752 1.628 18088
6412 1 15 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.406 -0.066 18088
6413 1 15 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.609 -0.139 18088
6414 1 15 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.868 -0.438 18088
6415 1 15 . 1 1 91 91 GLU H H 91 7.820 7.820 8.249 -0.429 18088
6416 1 15 . 1 1 92 92 ASN N N 92 120.640 120.640 124.812 -4.172 18088
6417 1 15 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.679 0.121 18088
6418 1 15 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.168 -0.628 18088
6419 1 15 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.318 0.662 18088
6420 1 15 . 1 1 92 92 ASN H H 92 8.560 8.560 8.724 -0.164 18088
6421 1 16 . 1 1 2 2 SER N N 2 118.720 118.720 115.587 3.133 18088
6422 1 16 . 1 1 2 2 SER HA H 2 4.690 4.690 4.556 0.134 18088
6423 1 16 . 1 1 2 2 SER CA C 2 57.270 57.270 56.936 0.334 18088
6424 1 16 . 1 1 2 2 SER CB C 2 65.140 65.140 64.574 0.566 18088
6425 1 16 . 1 1 2 2 SER H H 2 9.270 9.270 8.132 1.138 18088
6426 1 16 . 1 1 3 3 GLU N N 3 122.920 122.920 121.415 1.505 18088
6427 1 16 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.111 0.009 18088
6428 1 16 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.376 1.114 18088
6429 1 16 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.261 -0.291 18088
6430 1 16 . 1 1 3 3 GLU H H 3 9.260 9.260 8.889 0.371 18088
6431 1 16 . 1 1 4 4 LEU N N 4 121.140 121.140 115.215 5.925 18088
6432 1 16 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.139 -0.099 18088
6433 1 16 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.704 0.356 18088
6434 1 16 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.160 1.030 18088
6435 1 16 . 1 1 4 4 LEU H H 4 8.920 8.920 7.934 0.986 18088
6436 1 16 . 1 1 5 5 GLU N N 5 118.710 118.710 119.719 -1.009 18088
6437 1 16 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.039 -0.759 18088
6438 1 16 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.284 0.386 18088
6439 1 16 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.357 -0.207 18088
6440 1 16 . 1 1 5 5 GLU H H 5 7.880 7.880 7.740 0.140 18088
6441 1 16 . 1 1 6 6 THR N N 6 116.050 116.050 115.629 0.421 18088
6442 1 16 . 1 1 6 6 THR HA H 6 4.020 4.020 4.043 -0.023 18088
6443 1 16 . 1 1 6 6 THR CA C 6 66.580 66.580 66.257 0.323 18088
6444 1 16 . 1 1 6 6 THR CB C 6 68.620 68.620 68.511 0.109 18088
6445 1 16 . 1 1 6 6 THR H H 6 8.440 8.440 7.558 0.882 18088
6446 1 16 . 1 1 7 7 ALA N N 7 125.840 125.840 125.132 0.708 18088
6447 1 16 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.042 0.238 18088
6448 1 16 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.052 0.548 18088
6449 1 16 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.236 -0.166 18088
6450 1 16 . 1 1 7 7 ALA H H 7 8.320 8.320 7.632 0.688 18088
6451 1 16 . 1 1 8 8 MET N N 8 115.330 115.330 117.859 -2.529 18088
6452 1 16 . 1 1 8 8 MET HA H 8 4.860 4.860 4.135 0.725 18088
6453 1 16 . 1 1 8 8 MET CA C 8 56.510 56.510 57.438 -0.928 18088
6454 1 16 . 1 1 8 8 MET CB C 8 28.930 28.930 30.724 -1.794 18088
6455 1 16 . 1 1 8 8 MET H H 8 8.150 8.150 7.707 0.443 18088
6456 1 16 . 1 1 9 9 GLU N N 9 120.410 120.410 118.763 1.647 18088
6457 1 16 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.982 0.178 18088
6458 1 16 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.714 0.236 18088
6459 1 16 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.682 -0.862 18088
6460 1 16 . 1 1 9 9 GLU H H 9 8.760 8.760 7.778 0.982 18088
6461 1 16 . 1 1 10 10 THR N N 10 118.820 118.820 112.685 6.135 18088
6462 1 16 . 1 1 10 10 THR HA H 10 4.130 4.130 4.390 -0.260 18088
6463 1 16 . 1 1 10 10 THR CA C 10 67.180 67.180 65.693 1.487 18088
6464 1 16 . 1 1 10 10 THR CB C 10 67.770 67.770 69.219 -1.449 18088
6465 1 16 . 1 1 10 10 THR H H 10 8.510 8.510 8.239 0.271 18088
6466 1 16 . 1 1 11 11 LEU N N 11 121.840 121.840 123.140 -1.300 18088
6467 1 16 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.310 -0.230 18088
6468 1 16 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.245 2.005 18088
6469 1 16 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.059 0.841 18088
6470 1 16 . 1 1 11 11 LEU H H 11 8.380 8.380 7.607 0.773 18088
6471 1 16 . 1 1 12 12 ILE N N 12 121.310 121.310 118.470 2.840 18088
6472 1 16 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.593 -0.053 18088
6473 1 16 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.515 0.605 18088
6474 1 16 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.145 1.194 18088
6475 1 16 . 1 1 12 12 ILE H H 12 8.520 8.520 8.060 0.460 18088
6476 1 16 . 1 1 13 13 ASN N N 13 120.570 120.570 117.959 2.611 18088
6477 1 16 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.416 -0.046 18088
6478 1 16 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.005 0.534 18088
6479 1 16 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.361 -0.451 18088
6480 1 16 . 1 1 13 13 ASN H H 13 8.700 8.700 7.677 1.023 18088
6481 1 16 . 1 1 14 14 VAL N N 14 122.040 122.040 119.523 2.517 18088
6482 1 16 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.640 0.240 18088
6483 1 16 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.521 0.989 18088
6484 1 16 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.754 0.066 18088
6485 1 16 . 1 1 14 14 VAL H H 14 8.900 8.900 7.608 1.292 18088
6486 1 16 . 1 1 15 15 PHE N N 15 120.410 120.410 120.731 -0.321 18088
6487 1 16 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.996 -0.416 18088
6488 1 16 . 1 1 15 15 PHE CA C 15 62.380 62.380 60.986 1.394 18088
6489 1 16 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.295 0.135 18088
6490 1 16 . 1 1 15 15 PHE H H 15 7.490 7.490 7.661 -0.171 18088
6491 1 16 . 1 1 16 16 HIS N N 16 118.200 118.200 118.024 0.176 18088
6492 1 16 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.224 0.996 18088
6493 1 16 . 1 1 16 16 HIS CA C 16 55.330 55.330 56.976 -1.646 18088
6494 1 16 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.811 0.369 18088
6495 1 16 . 1 1 16 16 HIS H H 16 9.280 9.280 7.794 1.486 18088
6496 1 16 . 1 1 17 17 ALA N N 17 121.060 121.060 122.046 -0.986 18088
6497 1 16 . 1 1 17 17 ALA HA H 17 3.830 3.830 4.040 -0.210 18088
6498 1 16 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.785 0.645 18088
6499 1 16 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.583 -1.053 18088
6500 1 16 . 1 1 17 17 ALA H H 17 8.180 8.180 7.444 0.736 18088
6501 1 16 . 1 1 18 18 HIS N N 18 112.580 112.580 113.392 -0.812 18088
6502 1 16 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.590 -0.210 18088
6503 1 16 . 1 1 18 18 HIS CA C 18 56.430 56.430 52.699 3.731 18088
6504 1 16 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.095 1.855 18088
6505 1 16 . 1 1 18 18 HIS H H 18 7.410 7.410 6.860 0.550 18088
6506 1 16 . 1 1 19 19 SER HA H 19 4.100 4.100 4.201 -0.101 18088
6507 1 16 . 1 1 19 19 SER CA C 19 60.250 60.250 59.449 0.801 18088
6508 1 16 . 1 1 19 19 SER CB C 19 61.700 61.700 63.297 -1.597 18088
6509 1 16 . 1 1 20 20 GLY N N 20 106.830 106.830 113.942 -7.112 18088
6510 1 16 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.453 -0.303 18088
6511 1 16 . 1 1 20 20 GLY H H 20 8.260 8.260 8.340 -0.080 18088
6512 1 16 . 1 1 21 21 LYS N N 21 120.310 120.310 121.844 -1.534 18088
6513 1 16 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.085 -0.115 18088
6514 1 16 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.673 1.827 18088
6515 1 16 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.413 0.287 18088
6516 1 16 . 1 1 21 21 LYS H H 21 7.670 7.670 8.267 -0.597 18088
6517 1 16 . 1 1 22 22 GLU N N 22 117.240 117.240 124.166 -6.926 18088
6518 1 16 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.153 0.277 18088
6519 1 16 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.424 -2.104 18088
6520 1 16 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.995 1.155 18088
6521 1 16 . 1 1 22 22 GLU H H 22 7.870 7.870 8.637 -0.767 18088
6522 1 16 . 1 1 23 23 GLY N N 23 107.910 107.910 109.128 -1.218 18088
6523 1 16 . 1 1 23 23 GLY CA C 23 45.860 45.860 46.011 -0.151 18088
6524 1 16 . 1 1 23 23 GLY H H 23 8.110 8.110 8.024 0.086 18088
6525 1 16 . 1 1 24 24 ASP N N 24 122.900 122.900 121.276 1.624 18088
6526 1 16 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.849 -0.299 18088
6527 1 16 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.613 -0.123 18088
6528 1 16 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.381 -0.021 18088
6529 1 16 . 1 1 24 24 ASP H H 24 8.180 8.180 8.298 -0.118 18088
6530 1 16 . 1 1 25 25 LYS N N 25 124.810 124.810 124.074 0.736 18088
6531 1 16 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.160 -0.070 18088
6532 1 16 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.907 -1.527 18088
6533 1 16 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.970 -1.020 18088
6534 1 16 . 1 1 25 25 LYS H H 25 8.440 8.440 8.801 -0.361 18088
6535 1 16 . 1 1 26 26 TYR N N 26 117.200 117.200 115.346 1.854 18088
6536 1 16 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.569 0.551 18088
6537 1 16 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.356 -2.006 18088
6538 1 16 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.867 -1.196 18088
6539 1 16 . 1 1 26 26 TYR H H 26 8.490 8.490 8.626 -0.136 18088
6540 1 16 . 1 1 27 27 LYS N N 27 118.320 118.320 117.649 0.671 18088
6541 1 16 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.987 0.493 18088
6542 1 16 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.073 -0.313 18088
6543 1 16 . 1 1 27 27 LYS CB C 27 37.420 37.420 34.714 2.707 18088
6544 1 16 . 1 1 27 27 LYS H H 27 7.870 7.870 7.534 0.336 18088
6545 1 16 . 1 1 28 28 LEU N N 28 121.530 121.530 120.709 0.821 18088
6546 1 16 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.798 -0.078 18088
6547 1 16 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.154 -0.433 18088
6548 1 16 . 1 1 28 28 LEU CB C 28 46.380 46.380 46.551 -0.171 18088
6549 1 16 . 1 1 28 28 LEU H H 28 8.840 8.840 8.047 0.793 18088
6550 1 16 . 1 1 29 29 SER N N 29 120.620 120.620 115.691 4.929 18088
6551 1 16 . 1 1 29 29 SER HA H 29 5.040 5.040 4.599 0.441 18088
6552 1 16 . 1 1 29 29 SER CA C 29 57.850 57.850 58.149 -0.299 18088
6553 1 16 . 1 1 29 29 SER CB C 29 64.240 64.240 63.766 0.474 18088
6554 1 16 . 1 1 29 29 SER H H 29 8.940 8.940 8.342 0.598 18088
6555 1 16 . 1 1 30 30 LYS N N 30 124.390 124.390 122.369 2.021 18088
6556 1 16 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.059 -0.199 18088
6557 1 16 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.990 1.470 18088
6558 1 16 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.644 -0.824 18088
6559 1 16 . 1 1 30 30 LYS H H 30 8.810 8.810 8.820 -0.010 18088
6560 1 16 . 1 1 31 31 LYS N N 31 120.250 120.250 119.489 0.761 18088
6561 1 16 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.947 0.223 18088
6562 1 16 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.598 -0.308 18088
6563 1 16 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.774 0.696 18088
6564 1 16 . 1 1 31 31 LYS H H 31 8.740 8.740 7.548 1.192 18088
6565 1 16 . 1 1 32 32 GLU N N 32 121.570 121.570 119.308 2.262 18088
6566 1 16 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.095 -0.015 18088
6567 1 16 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.526 -0.246 18088
6568 1 16 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.929 0.311 18088
6569 1 16 . 1 1 32 32 GLU H H 32 7.790 7.790 8.652 -0.862 18088
6570 1 16 . 1 1 33 33 LEU N N 33 121.720 121.720 121.011 0.709 18088
6571 1 16 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.948 0.052 18088
6572 1 16 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.266 -0.076 18088
6573 1 16 . 1 1 33 33 LEU CB C 33 40.480 40.480 41.793 -1.313 18088
6574 1 16 . 1 1 33 33 LEU H H 33 8.890 8.890 7.295 1.595 18088
6575 1 16 . 1 1 34 34 LYS N N 34 120.420 120.420 119.635 0.785 18088
6576 1 16 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.785 -0.165 18088
6577 1 16 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.611 0.229 18088
6578 1 16 . 1 1 34 34 LYS CB C 34 31.750 31.750 31.989 -0.239 18088
6579 1 16 . 1 1 34 34 LYS H H 34 8.420 8.420 8.242 0.178 18088
6580 1 16 . 1 1 35 35 GLU N N 35 117.260 117.260 118.260 -1.000 18088
6581 1 16 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.040 0.030 18088
6582 1 16 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.954 0.296 18088
6583 1 16 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.753 -0.703 18088
6584 1 16 . 1 1 35 35 GLU H H 35 7.220 7.220 7.572 -0.352 18088
6585 1 16 . 1 1 36 36 LEU N N 36 122.740 122.740 120.660 2.080 18088
6586 1 16 . 1 1 36 36 LEU HA H 36 3.730 3.730 4.083 -0.353 18088
6587 1 16 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.152 1.068 18088
6588 1 16 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.315 0.885 18088
6589 1 16 . 1 1 36 36 LEU H H 36 8.330 8.330 7.198 1.132 18088
6590 1 16 . 1 1 37 37 LEU N N 37 120.360 120.360 115.122 5.238 18088
6591 1 16 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.194 -0.514 18088
6592 1 16 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.953 0.317 18088
6593 1 16 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.223 0.277 18088
6594 1 16 . 1 1 37 37 LEU H H 37 8.790 8.790 7.852 0.938 18088
6595 1 16 . 1 1 38 38 GLN N N 38 113.560 113.560 117.350 -3.790 18088
6596 1 16 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.050 -0.330 18088
6597 1 16 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.752 -0.072 18088
6598 1 16 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.503 0.257 18088
6599 1 16 . 1 1 38 38 GLN H H 38 8.100 8.100 8.132 -0.032 18088
6600 1 16 . 1 1 39 39 THR N N 39 109.810 109.810 116.483 -6.673 18088
6601 1 16 . 1 1 39 39 THR HA H 39 4.280 4.280 4.126 0.154 18088
6602 1 16 . 1 1 39 39 THR CA C 39 64.510 64.510 66.280 -1.770 18088
6603 1 16 . 1 1 39 39 THR CB C 39 69.740 69.740 68.818 0.922 18088
6604 1 16 . 1 1 39 39 THR H H 39 7.690 7.690 7.781 -0.091 18088
6605 1 16 . 1 1 40 40 GLU N N 40 118.480 118.480 121.569 -3.089 18088
6606 1 16 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.203 0.527 18088
6607 1 16 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.829 -2.139 18088
6608 1 16 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.907 0.183 18088
6609 1 16 . 1 1 40 40 GLU H H 40 9.000 9.000 7.821 1.179 18088
6610 1 16 . 1 1 41 41 LEU N N 41 120.000 120.000 119.843 0.157 18088
6611 1 16 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.620 0.530 18088
6612 1 16 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.178 -0.938 18088
6613 1 16 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.513 0.737 18088
6614 1 16 . 1 1 41 41 LEU H H 41 7.890 7.890 7.826 0.064 18088
6615 1 16 . 1 1 42 42 SER N N 42 112.560 112.560 116.740 -4.180 18088
6616 1 16 . 1 1 42 42 SER HA H 42 3.840 3.840 4.333 -0.493 18088
6617 1 16 . 1 1 42 42 SER CA C 42 61.610 61.610 61.796 -0.186 18088
6618 1 16 . 1 1 42 42 SER CB C 42 62.780 62.780 62.900 -0.120 18088
6619 1 16 . 1 1 42 42 SER H H 42 6.890 6.890 7.682 -0.792 18088
6620 1 16 . 1 1 43 43 GLY N N 43 114.540 114.540 108.739 5.801 18088
6621 1 16 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.297 -0.637 18088
6622 1 16 . 1 1 43 43 GLY H H 43 9.310 9.310 8.056 1.254 18088
6623 1 16 . 1 1 44 44 PHE N N 44 125.000 125.000 119.356 5.644 18088
6624 1 16 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.475 0.105 18088
6625 1 16 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.784 -2.174 18088
6626 1 16 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.929 -2.469 18088
6627 1 16 . 1 1 44 44 PHE H H 44 8.400 8.400 7.610 0.790 18088
6628 1 16 . 1 1 45 45 LEU N N 45 116.880 116.880 120.662 -3.782 18088
6629 1 16 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.038 -0.528 18088
6630 1 16 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.418 -0.178 18088
6631 1 16 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.725 -0.205 18088
6632 1 16 . 1 1 45 45 LEU H H 45 8.550 8.550 7.570 0.980 18088
6633 1 16 . 1 1 46 46 ASP N N 46 119.260 119.260 120.553 -1.293 18088
6634 1 16 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.422 0.298 18088
6635 1 16 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.947 -1.817 18088
6636 1 16 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.289 1.171 18088
6637 1 16 . 1 1 46 46 ASP H H 46 7.460 7.460 8.137 -0.677 18088
6638 1 16 . 1 1 47 47 ALA N N 47 124.850 124.850 122.444 2.406 18088
6639 1 16 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.273 0.267 18088
6640 1 16 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.487 -0.797 18088
6641 1 16 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.223 1.567 18088
6642 1 16 . 1 1 47 47 ALA H H 47 7.620 7.620 7.529 0.091 18088
6643 1 16 . 1 1 48 48 GLN N N 48 116.830 116.830 118.128 -1.298 18088
6644 1 16 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.230 -0.430 18088
6645 1 16 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.518 0.632 18088
6646 1 16 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.994 0.817 18088
6647 1 16 . 1 1 48 48 GLN H H 48 7.740 7.740 7.915 -0.175 18088
6648 1 16 . 1 1 49 49 LYS N N 49 121.570 121.570 124.167 -2.597 18088
6649 1 16 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.516 -0.396 18088
6650 1 16 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.825 -0.995 18088
6651 1 16 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.413 -3.363 18088
6652 1 16 . 1 1 49 49 LYS H H 49 7.790 7.790 8.338 -0.548 18088
6653 1 16 . 1 1 50 50 ASP N N 50 118.910 118.910 123.368 -4.458 18088
6654 1 16 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.745 -0.055 18088
6655 1 16 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.232 -1.402 18088
6656 1 16 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.258 0.692 18088
6657 1 16 . 1 1 50 50 ASP H H 50 7.480 7.480 8.081 -0.601 18088
6658 1 16 . 1 1 51 51 VAL N N 51 122.060 122.060 122.243 -0.183 18088
6659 1 16 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.564 0.336 18088
6660 1 16 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.912 -1.181 18088
6661 1 16 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.568 0.382 18088
6662 1 16 . 1 1 51 51 VAL H H 51 7.820 7.820 8.694 -0.874 18088
6663 1 16 . 1 1 52 52 ASP N N 52 120.090 120.090 120.273 -0.183 18088
6664 1 16 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.293 0.087 18088
6665 1 16 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.336 -0.076 18088
6666 1 16 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.060 0.520 18088
6667 1 16 . 1 1 52 52 ASP H H 52 8.190 8.190 8.280 -0.090 18088
6668 1 16 . 1 1 53 53 ALA N N 53 122.110 122.110 122.031 0.079 18088
6669 1 16 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.236 -0.196 18088
6670 1 16 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.984 -0.384 18088
6671 1 16 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.695 -0.015 18088
6672 1 16 . 1 1 53 53 ALA H H 53 7.620 7.620 8.465 -0.845 18088
6673 1 16 . 1 1 54 54 VAL N N 54 118.070 118.070 119.613 -1.543 18088
6674 1 16 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.538 -0.118 18088
6675 1 16 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.840 -0.500 18088
6676 1 16 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.389 0.621 18088
6677 1 16 . 1 1 54 54 VAL H H 54 7.380 7.380 7.715 -0.335 18088
6678 1 16 . 1 1 55 55 ASP N N 55 119.590 119.590 118.336 1.254 18088
6679 1 16 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.473 -0.163 18088
6680 1 16 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.976 0.394 18088
6681 1 16 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.865 0.095 18088
6682 1 16 . 1 1 55 55 ASP H H 55 8.500 8.500 8.359 0.141 18088
6683 1 16 . 1 1 56 56 LYS N N 56 118.010 118.010 120.315 -2.305 18088
6684 1 16 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.025 -0.085 18088
6685 1 16 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.436 0.324 18088
6686 1 16 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.579 -0.069 18088
6687 1 16 . 1 1 56 56 LYS H H 56 7.970 7.970 7.483 0.487 18088
6688 1 16 . 1 1 57 57 VAL N N 57 119.390 119.390 120.215 -0.825 18088
6689 1 16 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.679 0.031 18088
6690 1 16 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.692 0.348 18088
6691 1 16 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.607 0.493 18088
6692 1 16 . 1 1 57 57 VAL H H 57 7.310 7.310 8.435 -1.125 18088
6693 1 16 . 1 1 58 58 MET N N 58 116.040 116.040 117.220 -1.180 18088
6694 1 16 . 1 1 58 58 MET HA H 58 4.120 4.120 4.072 0.048 18088
6695 1 16 . 1 1 58 58 MET CA C 58 57.430 57.430 58.419 -0.989 18088
6696 1 16 . 1 1 58 58 MET CB C 58 31.260 31.260 31.585 -0.325 18088
6697 1 16 . 1 1 58 58 MET H H 58 8.370 8.370 7.727 0.643 18088
6698 1 16 . 1 1 59 59 LYS N N 59 118.900 118.900 119.139 -0.239 18088
6699 1 16 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.030 0.040 18088
6700 1 16 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.302 -0.172 18088
6701 1 16 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.306 0.084 18088
6702 1 16 . 1 1 59 59 LYS H H 59 8.600 8.600 8.208 0.392 18088
6703 1 16 . 1 1 60 60 GLU N N 60 119.880 119.880 120.036 -0.156 18088
6704 1 16 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.008 0.032 18088
6705 1 16 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.395 0.135 18088
6706 1 16 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.576 -1.026 18088
6707 1 16 . 1 1 60 60 GLU H H 60 7.430 7.430 7.653 -0.223 18088
6708 1 16 . 1 1 61 61 LEU N N 61 116.900 116.900 116.916 -0.016 18088
6709 1 16 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.088 -0.148 18088
6710 1 16 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.366 -0.156 18088
6711 1 16 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.593 -1.063 18088
6712 1 16 . 1 1 61 61 LEU H H 61 7.600 7.600 7.468 0.132 18088
6713 1 16 . 1 1 62 62 ASP N N 62 115.990 115.990 118.153 -2.163 18088
6714 1 16 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.335 0.135 18088
6715 1 16 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.090 -0.970 18088
6716 1 16 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.349 0.181 18088
6717 1 16 . 1 1 62 62 ASP H H 62 7.590 7.590 7.622 -0.032 18088
6718 1 16 . 1 1 63 63 GLU N N 63 118.920 118.920 117.399 1.521 18088
6719 1 16 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.247 -0.137 18088
6720 1 16 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.290 -0.260 18088
6721 1 16 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.793 0.207 18088
6722 1 16 . 1 1 63 63 GLU H H 63 8.120 8.120 7.791 0.329 18088
6723 1 16 . 1 1 64 64 ASN N N 64 117.750 117.750 118.166 -0.416 18088
6724 1 16 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.933 0.237 18088
6725 1 16 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.699 -0.829 18088
6726 1 16 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.295 0.315 18088
6727 1 16 . 1 1 64 64 ASN H H 64 7.730 7.730 7.856 -0.126 18088
6728 1 16 . 1 1 65 65 GLY N N 65 107.100 107.100 109.229 -2.129 18088
6729 1 16 . 1 1 65 65 GLY CA C 65 47.880 47.880 46.530 1.350 18088
6730 1 16 . 1 1 65 65 GLY H H 65 7.750 7.750 7.719 0.031 18088
6731 1 16 . 1 1 66 66 ASP N N 66 115.630 115.630 119.555 -3.925 18088
6732 1 16 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.793 0.037 18088
6733 1 16 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.956 0.094 18088
6734 1 16 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.063 -0.503 18088
6735 1 16 . 1 1 66 66 ASP H H 66 8.320 8.320 8.126 0.194 18088
6736 1 16 . 1 1 67 67 GLY N N 67 109.240 109.240 108.811 0.429 18088
6737 1 16 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.933 -0.143 18088
6738 1 16 . 1 1 67 67 GLY H H 67 8.260 8.260 7.630 0.630 18088
6739 1 16 . 1 1 68 68 GLU N N 68 117.540 117.540 116.926 0.614 18088
6740 1 16 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.933 0.317 18088
6741 1 16 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.548 -0.578 18088
6742 1 16 . 1 1 68 68 GLU CB C 68 33.890 33.890 34.090 -0.200 18088
6743 1 16 . 1 1 68 68 GLU H H 68 8.500 8.500 8.140 0.360 18088
6744 1 16 . 1 1 69 69 VAL N N 69 115.550 115.550 118.010 -2.460 18088
6745 1 16 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.657 0.303 18088
6746 1 16 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.228 -0.159 18088
6747 1 16 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.975 -0.965 18088
6748 1 16 . 1 1 69 69 VAL H H 69 9.190 9.190 8.785 0.405 18088
6749 1 16 . 1 1 70 70 ASP N N 70 121.130 121.130 122.109 -0.979 18088
6750 1 16 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.215 0.345 18088
6751 1 16 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.903 -1.903 18088
6752 1 16 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.031 0.639 18088
6753 1 16 . 1 1 70 70 ASP H H 70 8.320 8.320 8.255 0.065 18088
6754 1 16 . 1 1 71 71 PHE N N 71 119.290 119.290 120.700 -1.410 18088
6755 1 16 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.515 -1.045 18088
6756 1 16 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.427 -0.967 18088
6757 1 16 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.962 0.269 18088
6758 1 16 . 1 1 71 71 PHE H H 71 9.480 9.480 8.435 1.045 18088
6759 1 16 . 1 1 72 72 GLN N N 72 116.810 116.810 118.722 -1.912 18088
6760 1 16 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.926 -0.516 18088
6761 1 16 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.752 0.898 18088
6762 1 16 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.123 0.607 18088
6763 1 16 . 1 1 72 72 GLN H H 72 8.140 8.140 8.723 -0.583 18088
6764 1 16 . 1 1 73 73 GLU N N 73 119.590 119.590 119.217 0.373 18088
6765 1 16 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.062 -0.102 18088
6766 1 16 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.626 0.504 18088
6767 1 16 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.362 0.828 18088
6768 1 16 . 1 1 73 73 GLU H H 73 8.260 8.260 8.427 -0.167 18088
6769 1 16 . 1 1 74 74 TYR N N 74 122.520 122.520 121.725 0.795 18088
6770 1 16 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.055 0.275 18088
6771 1 16 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.152 -1.032 18088
6772 1 16 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.300 -1.590 18088
6773 1 16 . 1 1 74 74 TYR H H 74 8.240 8.240 8.145 0.095 18088
6774 1 16 . 1 1 75 75 VAL N N 75 120.300 120.300 118.172 2.128 18088
6775 1 16 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.198 -0.548 18088
6776 1 16 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.132 0.748 18088
6777 1 16 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.938 -0.508 18088
6778 1 16 . 1 1 75 75 VAL H H 75 7.980 7.980 8.211 -0.231 18088
6779 1 16 . 1 1 76 76 VAL N N 76 119.180 119.180 119.324 -0.144 18088
6780 1 16 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.644 -0.314 18088
6781 1 16 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.916 0.734 18088
6782 1 16 . 1 1 76 76 VAL CB C 76 31.590 31.590 30.896 0.694 18088
6783 1 16 . 1 1 76 76 VAL H H 76 7.560 7.560 8.356 -0.796 18088
6784 1 16 . 1 1 77 77 LEU N N 77 121.440 121.440 119.431 2.009 18088
6785 1 16 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.060 0.080 18088
6786 1 16 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.063 1.117 18088
6787 1 16 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.025 0.925 18088
6788 1 16 . 1 1 77 77 LEU H H 77 7.740 7.740 7.202 0.538 18088
6789 1 16 . 1 1 78 78 VAL N N 78 119.220 119.220 115.775 3.445 18088
6790 1 16 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.471 -0.031 18088
6791 1 16 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.752 1.378 18088
6792 1 16 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.883 0.427 18088
6793 1 16 . 1 1 78 78 VAL H H 78 8.320 8.320 7.123 1.197 18088
6794 1 16 . 1 1 79 79 ALA N N 79 124.780 124.780 121.044 3.736 18088
6795 1 16 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.214 -0.204 18088
6796 1 16 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.756 2.104 18088
6797 1 16 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.483 -0.523 18088
6798 1 16 . 1 1 79 79 ALA H H 79 9.000 9.000 8.074 0.926 18088
6799 1 16 . 1 1 80 80 ALA N N 80 121.760 121.760 121.305 0.455 18088
6800 1 16 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.992 -0.072 18088
6801 1 16 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.518 0.652 18088
6802 1 16 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.251 -0.771 18088
6803 1 16 . 1 1 80 80 ALA H H 80 8.240 8.240 7.472 0.768 18088
6804 1 16 . 1 1 81 81 LEU N N 81 118.310 118.310 117.434 0.876 18088
6805 1 16 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.107 -0.457 18088
6806 1 16 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.348 -0.038 18088
6807 1 16 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.985 -1.335 18088
6808 1 16 . 1 1 81 81 LEU H H 81 7.920 7.920 7.465 0.455 18088
6809 1 16 . 1 1 82 82 THR N N 82 116.240 116.240 115.542 0.698 18088
6810 1 16 . 1 1 82 82 THR HA H 82 3.710 3.710 3.997 -0.287 18088
6811 1 16 . 1 1 82 82 THR CA C 82 68.770 68.770 66.417 2.353 18088
6812 1 16 . 1 1 82 82 THR CB C 82 67.420 67.420 68.612 -1.192 18088
6813 1 16 . 1 1 82 82 THR H H 82 8.120 8.120 7.728 0.392 18088
6814 1 16 . 1 1 83 83 VAL N N 83 120.000 120.000 112.778 7.222 18088
6815 1 16 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.722 -0.692 18088
6816 1 16 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.004 3.946 18088
6817 1 16 . 1 1 83 83 VAL CB C 83 30.850 30.850 30.872 -0.022 18088
6818 1 16 . 1 1 83 83 VAL H H 83 7.780 7.780 7.325 0.455 18088
6819 1 16 . 1 1 87 87 ASN N N 87 124.810 124.810 116.727 8.083 18088
6820 1 16 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.245 -0.015 18088
6821 1 16 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.334 1.696 18088
6822 1 16 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.047 0.223 18088
6823 1 16 . 1 1 87 87 ASN H H 87 9.130 9.130 7.727 1.403 18088
6824 1 16 . 1 1 88 88 PHE N N 88 120.680 120.680 118.087 2.593 18088
6825 1 16 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.196 -0.106 18088
6826 1 16 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.497 1.333 18088
6827 1 16 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.540 -0.230 18088
6828 1 16 . 1 1 88 88 PHE H H 88 8.650 8.650 7.596 1.054 18088
6829 1 16 . 1 1 89 89 PHE N N 89 112.580 112.580 114.732 -2.152 18088
6830 1 16 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.741 -0.941 18088
6831 1 16 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.872 1.038 18088
6832 1 16 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.151 -2.271 18088
6833 1 16 . 1 1 89 89 PHE H H 89 7.410 7.410 7.643 -0.233 18088
6834 1 16 . 1 1 90 90 TRP N N 90 118.690 118.690 122.799 -4.109 18088
6835 1 16 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.711 -0.121 18088
6836 1 16 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.324 -0.024 18088
6837 1 16 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.831 3.349 18088
6838 1 16 . 1 1 90 90 TRP H H 90 7.370 7.370 8.160 -0.790 18088
6839 1 16 . 1 1 91 91 GLU N N 91 121.380 121.380 120.722 0.658 18088
6840 1 16 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.400 -0.060 18088
6841 1 16 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.531 -0.061 18088
6842 1 16 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.287 -0.857 18088
6843 1 16 . 1 1 91 91 GLU H H 91 7.820 7.820 8.435 -0.615 18088
6844 1 16 . 1 1 92 92 ASN N N 92 120.640 120.640 125.035 -4.395 18088
6845 1 16 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.674 0.126 18088
6846 1 16 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.871 -0.331 18088
6847 1 16 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.753 0.227 18088
6848 1 16 . 1 1 92 92 ASN H H 92 8.560 8.560 8.681 -0.121 18088
6849 1 17 . 1 1 2 2 SER N N 2 118.720 118.720 114.935 3.785 18088
6850 1 17 . 1 1 2 2 SER HA H 2 4.690 4.690 4.441 0.249 18088
6851 1 17 . 1 1 2 2 SER CA C 2 57.270 57.270 58.025 -0.755 18088
6852 1 17 . 1 1 2 2 SER CB C 2 65.140 65.140 64.914 0.226 18088
6853 1 17 . 1 1 2 2 SER H H 2 9.270 9.270 8.677 0.593 18088
6854 1 17 . 1 1 3 3 GLU N N 3 122.920 122.920 121.411 1.509 18088
6855 1 17 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.042 0.078 18088
6856 1 17 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.589 0.901 18088
6857 1 17 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.436 -0.466 18088
6858 1 17 . 1 1 3 3 GLU H H 3 9.260 9.260 8.998 0.262 18088
6859 1 17 . 1 1 4 4 LEU N N 4 121.140 121.140 115.254 5.886 18088
6860 1 17 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.320 -0.280 18088
6861 1 17 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.256 0.804 18088
6862 1 17 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.156 1.034 18088
6863 1 17 . 1 1 4 4 LEU H H 4 8.920 8.920 7.772 1.148 18088
6864 1 17 . 1 1 5 5 GLU N N 5 118.710 118.710 120.850 -2.140 18088
6865 1 17 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.004 -0.724 18088
6866 1 17 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.491 0.179 18088
6867 1 17 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.655 -0.505 18088
6868 1 17 . 1 1 5 5 GLU H H 5 7.880 7.880 7.805 0.075 18088
6869 1 17 . 1 1 6 6 THR N N 6 116.050 116.050 116.186 -0.136 18088
6870 1 17 . 1 1 6 6 THR HA H 6 4.020 4.020 4.056 -0.036 18088
6871 1 17 . 1 1 6 6 THR CA C 6 66.580 66.580 66.574 0.006 18088
6872 1 17 . 1 1 6 6 THR CB C 6 68.620 68.620 68.459 0.161 18088
6873 1 17 . 1 1 6 6 THR H H 6 8.440 8.440 8.019 0.421 18088
6874 1 17 . 1 1 7 7 ALA N N 7 125.840 125.840 125.254 0.586 18088
6875 1 17 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.061 0.219 18088
6876 1 17 . 1 1 7 7 ALA CA C 7 55.600 55.600 54.899 0.701 18088
6877 1 17 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.310 -0.240 18088
6878 1 17 . 1 1 7 7 ALA H H 7 8.320 8.320 7.286 1.034 18088
6879 1 17 . 1 1 8 8 MET N N 8 115.330 115.330 117.128 -1.798 18088
6880 1 17 . 1 1 8 8 MET HA H 8 4.860 4.860 4.107 0.753 18088
6881 1 17 . 1 1 8 8 MET CA C 8 56.510 56.510 57.523 -1.013 18088
6882 1 17 . 1 1 8 8 MET CB C 8 28.930 28.930 31.002 -2.072 18088
6883 1 17 . 1 1 8 8 MET H H 8 8.150 8.150 7.665 0.485 18088
6884 1 17 . 1 1 9 9 GLU N N 9 120.410 120.410 118.843 1.567 18088
6885 1 17 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.988 0.172 18088
6886 1 17 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.759 0.191 18088
6887 1 17 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.664 -0.844 18088
6888 1 17 . 1 1 9 9 GLU H H 9 8.760 8.760 7.741 1.019 18088
6889 1 17 . 1 1 10 10 THR N N 10 118.820 118.820 113.673 5.147 18088
6890 1 17 . 1 1 10 10 THR HA H 10 4.130 4.130 4.168 -0.038 18088
6891 1 17 . 1 1 10 10 THR CA C 10 67.180 67.180 66.102 1.078 18088
6892 1 17 . 1 1 10 10 THR CB C 10 67.770 67.770 68.625 -0.855 18088
6893 1 17 . 1 1 10 10 THR H H 10 8.510 8.510 8.327 0.183 18088
6894 1 17 . 1 1 11 11 LEU N N 11 121.840 121.840 122.235 -0.395 18088
6895 1 17 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.327 -0.247 18088
6896 1 17 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.722 2.528 18088
6897 1 17 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.180 0.720 18088
6898 1 17 . 1 1 11 11 LEU H H 11 8.380 8.380 7.308 1.072 18088
6899 1 17 . 1 1 12 12 ILE N N 12 121.310 121.310 119.392 1.918 18088
6900 1 17 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.543 -0.003 18088
6901 1 17 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.388 0.732 18088
6902 1 17 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.226 1.114 18088
6903 1 17 . 1 1 12 12 ILE H H 12 8.520 8.520 7.842 0.678 18088
6904 1 17 . 1 1 13 13 ASN N N 13 120.570 120.570 118.519 2.051 18088
6905 1 17 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.483 -0.113 18088
6906 1 17 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.892 -0.352 18088
6907 1 17 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.378 -0.468 18088
6908 1 17 . 1 1 13 13 ASN H H 13 8.700 8.700 7.597 1.103 18088
6909 1 17 . 1 1 14 14 VAL N N 14 122.040 122.040 119.015 3.025 18088
6910 1 17 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.769 0.111 18088
6911 1 17 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.932 0.578 18088
6912 1 17 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.237 0.583 18088
6913 1 17 . 1 1 14 14 VAL H H 14 8.900 8.900 7.407 1.493 18088
6914 1 17 . 1 1 15 15 PHE N N 15 120.410 120.410 119.688 0.722 18088
6915 1 17 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.992 -0.412 18088
6916 1 17 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.637 0.743 18088
6917 1 17 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.272 0.158 18088
6918 1 17 . 1 1 15 15 PHE H H 15 7.490 7.490 7.525 -0.035 18088
6919 1 17 . 1 1 16 16 HIS N N 16 118.200 118.200 117.961 0.239 18088
6920 1 17 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.330 0.890 18088
6921 1 17 . 1 1 16 16 HIS CA C 16 55.330 55.330 58.375 -3.045 18088
6922 1 17 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.114 0.066 18088
6923 1 17 . 1 1 16 16 HIS H H 16 9.280 9.280 8.279 1.001 18088
6924 1 17 . 1 1 17 17 ALA N N 17 121.060 121.060 123.195 -2.135 18088
6925 1 17 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.958 -0.128 18088
6926 1 17 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.194 0.236 18088
6927 1 17 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.656 -1.126 18088
6928 1 17 . 1 1 17 17 ALA H H 17 8.180 8.180 8.080 0.100 18088
6929 1 17 . 1 1 18 18 HIS N N 18 112.580 112.580 114.461 -1.881 18088
6930 1 17 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.738 -0.358 18088
6931 1 17 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.698 1.732 18088
6932 1 17 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.859 0.091 18088
6933 1 17 . 1 1 18 18 HIS H H 18 7.410 7.410 7.498 -0.088 18088
6934 1 17 . 1 1 19 19 SER HA H 19 4.100 4.100 3.982 0.118 18088
6935 1 17 . 1 1 19 19 SER CA C 19 60.250 60.250 59.399 0.851 18088
6936 1 17 . 1 1 19 19 SER CB C 19 61.700 61.700 64.140 -2.440 18088
6937 1 17 . 1 1 20 20 GLY N N 20 106.830 106.830 114.685 -7.855 18088
6938 1 17 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.399 -0.249 18088
6939 1 17 . 1 1 20 20 GLY H H 20 8.260 8.260 8.188 0.072 18088
6940 1 17 . 1 1 21 21 LYS N N 21 120.310 120.310 122.985 -2.675 18088
6941 1 17 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.374 -0.404 18088
6942 1 17 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.780 1.720 18088
6943 1 17 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.794 -0.094 18088
6944 1 17 . 1 1 21 21 LYS H H 21 7.670 7.670 8.253 -0.583 18088
6945 1 17 . 1 1 22 22 GLU N N 22 117.240 117.240 120.838 -3.598 18088
6946 1 17 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.242 0.188 18088
6947 1 17 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.686 -2.366 18088
6948 1 17 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.209 0.941 18088
6949 1 17 . 1 1 22 22 GLU H H 22 7.870 7.870 8.630 -0.760 18088
6950 1 17 . 1 1 23 23 GLY N N 23 107.910 107.910 105.958 1.952 18088
6951 1 17 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.974 0.886 18088
6952 1 17 . 1 1 23 23 GLY H H 23 8.110 8.110 8.462 -0.352 18088
6953 1 17 . 1 1 24 24 ASP N N 24 122.900 122.900 122.192 0.708 18088
6954 1 17 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.997 -0.447 18088
6955 1 17 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.289 0.201 18088
6956 1 17 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.023 1.337 18088
6957 1 17 . 1 1 24 24 ASP H H 24 8.180 8.180 8.114 0.066 18088
6958 1 17 . 1 1 25 25 LYS N N 25 124.810 124.810 123.959 0.851 18088
6959 1 17 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.158 -0.068 18088
6960 1 17 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.518 -2.138 18088
6961 1 17 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.788 -0.838 18088
6962 1 17 . 1 1 25 25 LYS H H 25 8.440 8.440 8.637 -0.197 18088
6963 1 17 . 1 1 26 26 TYR N N 26 117.200 117.200 115.871 1.329 18088
6964 1 17 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.492 0.628 18088
6965 1 17 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.900 -2.550 18088
6966 1 17 . 1 1 26 26 TYR CB C 26 37.670 37.670 37.877 -0.207 18088
6967 1 17 . 1 1 26 26 TYR H H 26 8.490 8.490 8.479 0.011 18088
6968 1 17 . 1 1 27 27 LYS N N 27 118.320 118.320 117.006 1.314 18088
6969 1 17 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.876 0.604 18088
6970 1 17 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.204 -0.444 18088
6971 1 17 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.349 1.071 18088
6972 1 17 . 1 1 27 27 LYS H H 27 7.870 7.870 7.751 0.119 18088
6973 1 17 . 1 1 28 28 LEU N N 28 121.530 121.530 121.843 -0.313 18088
6974 1 17 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.704 0.016 18088
6975 1 17 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.646 -0.926 18088
6976 1 17 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.768 0.612 18088
6977 1 17 . 1 1 28 28 LEU H H 28 8.840 8.840 8.021 0.819 18088
6978 1 17 . 1 1 29 29 SER N N 29 120.620 120.620 116.105 4.515 18088
6979 1 17 . 1 1 29 29 SER HA H 29 5.040 5.040 4.580 0.460 18088
6980 1 17 . 1 1 29 29 SER CA C 29 57.850 57.850 58.900 -1.050 18088
6981 1 17 . 1 1 29 29 SER CB C 29 64.240 64.240 64.273 -0.034 18088
6982 1 17 . 1 1 29 29 SER H H 29 8.940 8.940 8.626 0.314 18088
6983 1 17 . 1 1 30 30 LYS N N 30 124.390 124.390 121.680 2.710 18088
6984 1 17 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.160 -0.300 18088
6985 1 17 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.801 1.659 18088
6986 1 17 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.688 -0.868 18088
6987 1 17 . 1 1 30 30 LYS H H 30 8.810 8.810 8.854 -0.044 18088
6988 1 17 . 1 1 31 31 LYS N N 31 120.250 120.250 119.723 0.527 18088
6989 1 17 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.967 0.203 18088
6990 1 17 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.218 0.072 18088
6991 1 17 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.259 1.211 18088
6992 1 17 . 1 1 31 31 LYS H H 31 8.740 8.740 7.742 0.998 18088
6993 1 17 . 1 1 32 32 GLU N N 32 121.570 121.570 119.198 2.372 18088
6994 1 17 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.173 -0.093 18088
6995 1 17 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.456 -0.176 18088
6996 1 17 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.943 0.297 18088
6997 1 17 . 1 1 32 32 GLU H H 32 7.790 7.790 8.432 -0.642 18088
6998 1 17 . 1 1 33 33 LEU N N 33 121.720 121.720 122.142 -0.422 18088
6999 1 17 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.172 -0.172 18088
7000 1 17 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.502 -0.312 18088
7001 1 17 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.053 -1.573 18088
7002 1 17 . 1 1 33 33 LEU H H 33 8.890 8.890 8.286 0.604 18088
7003 1 17 . 1 1 34 34 LYS N N 34 120.420 120.420 119.547 0.873 18088
7004 1 17 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.827 -0.207 18088
7005 1 17 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.532 0.307 18088
7006 1 17 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.056 -0.306 18088
7007 1 17 . 1 1 34 34 LYS H H 34 8.420 8.420 8.023 0.397 18088
7008 1 17 . 1 1 35 35 GLU N N 35 117.260 117.260 118.962 -1.702 18088
7009 1 17 . 1 1 35 35 GLU HA H 35 4.070 4.070 3.962 0.107 18088
7010 1 17 . 1 1 35 35 GLU CA C 35 59.250 59.250 59.245 0.005 18088
7011 1 17 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.678 -0.628 18088
7012 1 17 . 1 1 35 35 GLU H H 35 7.220 7.220 7.481 -0.261 18088
7013 1 17 . 1 1 36 36 LEU N N 36 122.740 122.740 121.426 1.314 18088
7014 1 17 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.739 -0.009 18088
7015 1 17 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.249 0.971 18088
7016 1 17 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.448 0.752 18088
7017 1 17 . 1 1 36 36 LEU H H 36 8.330 8.330 7.485 0.845 18088
7018 1 17 . 1 1 37 37 LEU N N 37 120.360 120.360 115.175 5.185 18088
7019 1 17 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.060 -0.380 18088
7020 1 17 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.897 0.373 18088
7021 1 17 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.047 0.453 18088
7022 1 17 . 1 1 37 37 LEU H H 37 8.790 8.790 7.456 1.334 18088
7023 1 17 . 1 1 38 38 GLN N N 38 113.560 113.560 118.186 -4.626 18088
7024 1 17 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.020 -0.300 18088
7025 1 17 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.298 0.382 18088
7026 1 17 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.453 0.307 18088
7027 1 17 . 1 1 38 38 GLN H H 38 8.100 8.100 8.351 -0.251 18088
7028 1 17 . 1 1 39 39 THR N N 39 109.810 109.810 115.923 -6.113 18088
7029 1 17 . 1 1 39 39 THR HA H 39 4.280 4.280 4.174 0.106 18088
7030 1 17 . 1 1 39 39 THR CA C 39 64.510 64.510 65.587 -1.077 18088
7031 1 17 . 1 1 39 39 THR CB C 39 69.740 69.740 68.920 0.820 18088
7032 1 17 . 1 1 39 39 THR H H 39 7.690 7.690 8.156 -0.466 18088
7033 1 17 . 1 1 40 40 GLU N N 40 118.480 118.480 120.532 -2.052 18088
7034 1 17 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.333 0.397 18088
7035 1 17 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.357 -1.667 18088
7036 1 17 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.185 -0.095 18088
7037 1 17 . 1 1 40 40 GLU H H 40 9.000 9.000 7.809 1.191 18088
7038 1 17 . 1 1 41 41 LEU N N 41 120.000 120.000 120.978 -0.978 18088
7039 1 17 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.587 0.563 18088
7040 1 17 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.927 -0.687 18088
7041 1 17 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.795 0.455 18088
7042 1 17 . 1 1 41 41 LEU H H 41 7.890 7.890 7.872 0.018 18088
7043 1 17 . 1 1 42 42 SER N N 42 112.560 112.560 116.192 -3.632 18088
7044 1 17 . 1 1 42 42 SER HA H 42 3.840 3.840 4.412 -0.572 18088
7045 1 17 . 1 1 42 42 SER CA C 42 61.610 61.610 59.948 1.662 18088
7046 1 17 . 1 1 42 42 SER CB C 42 62.780 62.780 62.922 -0.142 18088
7047 1 17 . 1 1 42 42 SER H H 42 6.890 6.890 7.776 -0.886 18088
7048 1 17 . 1 1 43 43 GLY N N 43 114.540 114.540 110.190 4.350 18088
7049 1 17 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.344 -0.684 18088
7050 1 17 . 1 1 43 43 GLY H H 43 9.310 9.310 7.701 1.609 18088
7051 1 17 . 1 1 44 44 PHE N N 44 125.000 125.000 120.134 4.866 18088
7052 1 17 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.351 0.229 18088
7053 1 17 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.673 -2.063 18088
7054 1 17 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.417 -1.957 18088
7055 1 17 . 1 1 44 44 PHE H H 44 8.400 8.400 7.485 0.915 18088
7056 1 17 . 1 1 45 45 LEU N N 45 116.880 116.880 119.154 -2.274 18088
7057 1 17 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.057 -0.547 18088
7058 1 17 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.184 0.056 18088
7059 1 17 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.720 -0.200 18088
7060 1 17 . 1 1 45 45 LEU H H 45 8.550 8.550 8.049 0.501 18088
7061 1 17 . 1 1 46 46 ASP N N 46 119.260 119.260 120.193 -0.933 18088
7062 1 17 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.470 0.250 18088
7063 1 17 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.511 -1.381 18088
7064 1 17 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.654 0.806 18088
7065 1 17 . 1 1 46 46 ASP H H 46 7.460 7.460 7.602 -0.142 18088
7066 1 17 . 1 1 47 47 ALA N N 47 124.850 124.850 122.882 1.968 18088
7067 1 17 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.296 0.244 18088
7068 1 17 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.550 -0.860 18088
7069 1 17 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.461 1.329 18088
7070 1 17 . 1 1 47 47 ALA H H 47 7.620 7.620 7.611 0.009 18088
7071 1 17 . 1 1 48 48 GLN N N 48 116.830 116.830 117.811 -0.981 18088
7072 1 17 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.146 -0.346 18088
7073 1 17 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.662 0.488 18088
7074 1 17 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.948 0.862 18088
7075 1 17 . 1 1 48 48 GLN H H 48 7.740 7.740 7.838 -0.098 18088
7076 1 17 . 1 1 49 49 LYS N N 49 121.570 121.570 123.594 -2.024 18088
7077 1 17 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.519 -0.399 18088
7078 1 17 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.693 -0.863 18088
7079 1 17 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.477 -3.428 18088
7080 1 17 . 1 1 49 49 LYS H H 49 7.790 7.790 8.345 -0.555 18088
7081 1 17 . 1 1 50 50 ASP N N 50 118.910 118.910 122.738 -3.828 18088
7082 1 17 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.686 0.004 18088
7083 1 17 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.708 -1.878 18088
7084 1 17 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.351 0.599 18088
7085 1 17 . 1 1 50 50 ASP H H 50 7.480 7.480 8.115 -0.635 18088
7086 1 17 . 1 1 51 51 VAL N N 51 122.060 122.060 122.661 -0.601 18088
7087 1 17 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.614 0.286 18088
7088 1 17 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.664 -0.934 18088
7089 1 17 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.319 0.631 18088
7090 1 17 . 1 1 51 51 VAL H H 51 7.820 7.820 8.962 -1.142 18088
7091 1 17 . 1 1 52 52 ASP N N 52 120.090 120.090 120.517 -0.427 18088
7092 1 17 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.318 0.062 18088
7093 1 17 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.382 -0.122 18088
7094 1 17 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.016 0.564 18088
7095 1 17 . 1 1 52 52 ASP H H 52 8.190 8.190 8.069 0.121 18088
7096 1 17 . 1 1 53 53 ALA N N 53 122.110 122.110 122.125 -0.015 18088
7097 1 17 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.250 -0.210 18088
7098 1 17 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.857 -0.257 18088
7099 1 17 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.776 -0.096 18088
7100 1 17 . 1 1 53 53 ALA H H 53 7.620 7.620 8.058 -0.438 18088
7101 1 17 . 1 1 54 54 VAL N N 54 118.070 118.070 118.042 0.028 18088
7102 1 17 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.601 -0.181 18088
7103 1 17 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.860 -0.520 18088
7104 1 17 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.161 0.849 18088
7105 1 17 . 1 1 54 54 VAL H H 54 7.380 7.380 7.653 -0.273 18088
7106 1 17 . 1 1 55 55 ASP N N 55 119.590 119.590 118.090 1.500 18088
7107 1 17 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.530 -0.220 18088
7108 1 17 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.780 0.590 18088
7109 1 17 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.230 -0.270 18088
7110 1 17 . 1 1 55 55 ASP H H 55 8.500 8.500 8.302 0.198 18088
7111 1 17 . 1 1 56 56 LYS N N 56 118.010 118.010 120.406 -2.396 18088
7112 1 17 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.083 -0.143 18088
7113 1 17 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.285 0.474 18088
7114 1 17 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.690 -0.180 18088
7115 1 17 . 1 1 56 56 LYS H H 56 7.970 7.970 7.467 0.503 18088
7116 1 17 . 1 1 57 57 VAL N N 57 119.390 119.390 119.416 -0.026 18088
7117 1 17 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.707 0.003 18088
7118 1 17 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.883 0.157 18088
7119 1 17 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.893 0.207 18088
7120 1 17 . 1 1 57 57 VAL H H 57 7.310 7.310 8.217 -0.907 18088
7121 1 17 . 1 1 58 58 MET N N 58 116.040 116.040 117.334 -1.294 18088
7122 1 17 . 1 1 58 58 MET HA H 58 4.120 4.120 4.132 -0.012 18088
7123 1 17 . 1 1 58 58 MET CA C 58 57.430 57.430 57.963 -0.533 18088
7124 1 17 . 1 1 58 58 MET CB C 58 31.260 31.260 31.336 -0.076 18088
7125 1 17 . 1 1 58 58 MET H H 58 8.370 8.370 7.667 0.703 18088
7126 1 17 . 1 1 59 59 LYS N N 59 118.900 118.900 118.796 0.104 18088
7127 1 17 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.078 -0.008 18088
7128 1 17 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.848 0.282 18088
7129 1 17 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.355 0.035 18088
7130 1 17 . 1 1 59 59 LYS H H 59 8.600 8.600 7.592 1.008 18088
7131 1 17 . 1 1 60 60 GLU N N 60 119.880 119.880 120.165 -0.285 18088
7132 1 17 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.240 -0.200 18088
7133 1 17 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.154 0.376 18088
7134 1 17 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.593 -1.043 18088
7135 1 17 . 1 1 60 60 GLU H H 60 7.430 7.430 8.025 -0.595 18088
7136 1 17 . 1 1 61 61 LEU N N 61 116.900 116.900 117.840 -0.940 18088
7137 1 17 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.076 -0.136 18088
7138 1 17 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.511 -0.301 18088
7139 1 17 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.355 -0.825 18088
7140 1 17 . 1 1 61 61 LEU H H 61 7.600 7.600 7.493 0.107 18088
7141 1 17 . 1 1 62 62 ASP N N 62 115.990 115.990 118.745 -2.755 18088
7142 1 17 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.281 0.189 18088
7143 1 17 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.633 -1.513 18088
7144 1 17 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.019 0.511 18088
7145 1 17 . 1 1 62 62 ASP H H 62 7.590 7.590 7.685 -0.095 18088
7146 1 17 . 1 1 63 63 GLU N N 63 118.920 118.920 116.596 2.324 18088
7147 1 17 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.256 -0.146 18088
7148 1 17 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.086 -0.056 18088
7149 1 17 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.685 0.315 18088
7150 1 17 . 1 1 63 63 GLU H H 63 8.120 8.120 7.660 0.460 18088
7151 1 17 . 1 1 64 64 ASN N N 64 117.750 117.750 117.593 0.157 18088
7152 1 17 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.894 0.276 18088
7153 1 17 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.224 -1.354 18088
7154 1 17 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.854 -0.244 18088
7155 1 17 . 1 1 64 64 ASN H H 64 7.730 7.730 7.660 0.070 18088
7156 1 17 . 1 1 65 65 GLY N N 65 107.100 107.100 109.748 -2.648 18088
7157 1 17 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.049 0.831 18088
7158 1 17 . 1 1 65 65 GLY H H 65 7.750 7.750 8.110 -0.360 18088
7159 1 17 . 1 1 66 66 ASP N N 66 115.630 115.630 120.476 -4.846 18088
7160 1 17 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.776 0.054 18088
7161 1 17 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.029 0.021 18088
7162 1 17 . 1 1 66 66 ASP CB C 66 40.560 40.560 39.953 0.607 18088
7163 1 17 . 1 1 66 66 ASP H H 66 8.320 8.320 7.998 0.322 18088
7164 1 17 . 1 1 67 67 GLY N N 67 109.240 109.240 108.574 0.666 18088
7165 1 17 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.748 0.042 18088
7166 1 17 . 1 1 67 67 GLY H H 67 8.260 8.260 8.113 0.147 18088
7167 1 17 . 1 1 68 68 GLU N N 68 117.540 117.540 118.226 -0.686 18088
7168 1 17 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.651 0.599 18088
7169 1 17 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.659 -0.689 18088
7170 1 17 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.596 0.294 18088
7171 1 17 . 1 1 68 68 GLU H H 68 8.500 8.500 8.308 0.192 18088
7172 1 17 . 1 1 69 69 VAL N N 69 115.550 115.550 119.182 -3.632 18088
7173 1 17 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.628 0.332 18088
7174 1 17 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.606 -0.536 18088
7175 1 17 . 1 1 69 69 VAL CB C 69 35.010 35.010 36.070 -1.060 18088
7176 1 17 . 1 1 69 69 VAL H H 69 9.190 9.190 8.624 0.566 18088
7177 1 17 . 1 1 70 70 ASP N N 70 121.130 121.130 120.843 0.287 18088
7178 1 17 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.075 0.485 18088
7179 1 17 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.919 -1.919 18088
7180 1 17 . 1 1 70 70 ASP CB C 70 42.670 42.670 41.998 0.672 18088
7181 1 17 . 1 1 70 70 ASP H H 70 8.320 8.320 8.205 0.115 18088
7182 1 17 . 1 1 71 71 PHE N N 71 119.290 119.290 120.527 -1.237 18088
7183 1 17 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.042 -0.572 18088
7184 1 17 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.521 -0.061 18088
7185 1 17 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.107 1.123 18088
7186 1 17 . 1 1 71 71 PHE H H 71 9.480 9.480 8.444 1.036 18088
7187 1 17 . 1 1 72 72 GLN N N 72 116.810 116.810 118.542 -1.732 18088
7188 1 17 . 1 1 72 72 GLN HA H 72 3.410 3.410 4.002 -0.592 18088
7189 1 17 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.017 1.633 18088
7190 1 17 . 1 1 72 72 GLN CB C 72 28.730 28.730 27.585 1.145 18088
7191 1 17 . 1 1 72 72 GLN H H 72 8.140 8.140 8.778 -0.638 18088
7192 1 17 . 1 1 73 73 GLU N N 73 119.590 119.590 119.204 0.386 18088
7193 1 17 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.163 -0.203 18088
7194 1 17 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.250 0.880 18088
7195 1 17 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.370 0.820 18088
7196 1 17 . 1 1 73 73 GLU H H 73 8.260 8.260 8.009 0.251 18088
7197 1 17 . 1 1 74 74 TYR N N 74 122.520 122.520 121.552 0.968 18088
7198 1 17 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.044 0.286 18088
7199 1 17 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.260 -1.140 18088
7200 1 17 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.195 -1.485 18088
7201 1 17 . 1 1 74 74 TYR H H 74 8.240 8.240 7.688 0.552 18088
7202 1 17 . 1 1 75 75 VAL N N 75 120.300 120.300 118.283 2.017 18088
7203 1 17 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.504 -0.854 18088
7204 1 17 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.401 0.479 18088
7205 1 17 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.288 -0.858 18088
7206 1 17 . 1 1 75 75 VAL H H 75 7.980 7.980 7.623 0.357 18088
7207 1 17 . 1 1 76 76 VAL N N 76 119.180 119.180 119.274 -0.094 18088
7208 1 17 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.461 -0.131 18088
7209 1 17 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.068 0.582 18088
7210 1 17 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.387 0.203 18088
7211 1 17 . 1 1 76 76 VAL H H 76 7.560 7.560 7.159 0.401 18088
7212 1 17 . 1 1 77 77 LEU N N 77 121.440 121.440 118.461 2.979 18088
7213 1 17 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.016 0.124 18088
7214 1 17 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.392 0.788 18088
7215 1 17 . 1 1 77 77 LEU CB C 77 41.950 41.950 42.003 -0.053 18088
7216 1 17 . 1 1 77 77 LEU H H 77 7.740 7.740 7.184 0.556 18088
7217 1 17 . 1 1 78 78 VAL N N 78 119.220 119.220 116.579 2.641 18088
7218 1 17 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.527 -0.087 18088
7219 1 17 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.573 1.557 18088
7220 1 17 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.215 0.095 18088
7221 1 17 . 1 1 78 78 VAL H H 78 8.320 8.320 7.084 1.236 18088
7222 1 17 . 1 1 79 79 ALA N N 79 124.780 124.780 120.552 4.228 18088
7223 1 17 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.226 -0.216 18088
7224 1 17 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.626 2.234 18088
7225 1 17 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.422 -0.462 18088
7226 1 17 . 1 1 79 79 ALA H H 79 9.000 9.000 8.522 0.478 18088
7227 1 17 . 1 1 80 80 ALA N N 80 121.760 121.760 121.408 0.352 18088
7228 1 17 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.012 -0.092 18088
7229 1 17 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.460 0.710 18088
7230 1 17 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.246 -0.766 18088
7231 1 17 . 1 1 80 80 ALA H H 80 8.240 8.240 7.418 0.822 18088
7232 1 17 . 1 1 81 81 LEU N N 81 118.310 118.310 117.949 0.361 18088
7233 1 17 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.062 -0.412 18088
7234 1 17 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.291 0.019 18088
7235 1 17 . 1 1 81 81 LEU CB C 81 40.650 40.650 42.016 -1.366 18088
7236 1 17 . 1 1 81 81 LEU H H 81 7.920 7.920 7.436 0.484 18088
7237 1 17 . 1 1 82 82 THR N N 82 116.240 116.240 115.804 0.436 18088
7238 1 17 . 1 1 82 82 THR HA H 82 3.710 3.710 3.866 -0.156 18088
7239 1 17 . 1 1 82 82 THR CA C 82 68.770 68.770 66.761 2.009 18088
7240 1 17 . 1 1 82 82 THR CB C 82 67.420 67.420 68.570 -1.150 18088
7241 1 17 . 1 1 82 82 THR H H 82 8.120 8.120 7.512 0.608 18088
7242 1 17 . 1 1 83 83 VAL N N 83 120.000 120.000 112.188 7.812 18088
7243 1 17 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.669 -0.639 18088
7244 1 17 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.418 3.532 18088
7245 1 17 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.413 -0.563 18088
7246 1 17 . 1 1 83 83 VAL H H 83 7.780 7.780 7.199 0.581 18088
7247 1 17 . 1 1 87 87 ASN N N 87 124.810 124.810 117.261 7.549 18088
7248 1 17 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.181 0.049 18088
7249 1 17 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.208 1.822 18088
7250 1 17 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.146 0.124 18088
7251 1 17 . 1 1 87 87 ASN H H 87 9.130 9.130 7.664 1.466 18088
7252 1 17 . 1 1 88 88 PHE N N 88 120.680 120.680 116.826 3.854 18088
7253 1 17 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.196 -0.106 18088
7254 1 17 . 1 1 88 88 PHE CA C 88 60.830 60.830 60.002 0.828 18088
7255 1 17 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.164 0.146 18088
7256 1 17 . 1 1 88 88 PHE H H 88 8.650 8.650 7.575 1.075 18088
7257 1 17 . 1 1 89 89 PHE N N 89 112.580 112.580 114.885 -2.305 18088
7258 1 17 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.735 -0.935 18088
7259 1 17 . 1 1 89 89 PHE CA C 89 58.910 58.910 58.088 0.822 18088
7260 1 17 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.144 -2.264 18088
7261 1 17 . 1 1 89 89 PHE H H 89 7.410 7.410 7.704 -0.294 18088
7262 1 17 . 1 1 90 90 TRP N N 90 118.690 118.690 122.312 -3.622 18088
7263 1 17 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.695 -0.105 18088
7264 1 17 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.616 -0.316 18088
7265 1 17 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.627 3.553 18088
7266 1 17 . 1 1 90 90 TRP H H 90 7.370 7.370 8.369 -0.999 18088
7267 1 17 . 1 1 91 91 GLU N N 91 121.380 121.380 119.926 1.454 18088
7268 1 17 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.389 -0.049 18088
7269 1 17 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.070 0.400 18088
7270 1 17 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.167 -0.737 18088
7271 1 17 . 1 1 91 91 GLU H H 91 7.820 7.820 7.994 -0.174 18088
7272 1 17 . 1 1 92 92 ASN N N 92 120.640 120.640 124.417 -3.777 18088
7273 1 17 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.660 0.140 18088
7274 1 17 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.389 -0.849 18088
7275 1 17 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.776 0.204 18088
7276 1 17 . 1 1 92 92 ASN H H 92 8.560 8.560 8.670 -0.110 18088
7277 1 18 . 1 1 2 2 SER N N 2 118.720 118.720 114.080 4.640 18088
7278 1 18 . 1 1 2 2 SER HA H 2 4.690 4.690 4.711 -0.021 18088
7279 1 18 . 1 1 2 2 SER CA C 2 57.270 57.270 57.612 -0.342 18088
7280 1 18 . 1 1 2 2 SER CB C 2 65.140 65.140 66.502 -1.362 18088
7281 1 18 . 1 1 2 2 SER H H 2 9.270 9.270 8.280 0.990 18088
7282 1 18 . 1 1 3 3 GLU N N 3 122.920 122.920 123.039 -0.119 18088
7283 1 18 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.086 0.034 18088
7284 1 18 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.795 0.695 18088
7285 1 18 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.601 -0.631 18088
7286 1 18 . 1 1 3 3 GLU H H 3 9.260 9.260 8.785 0.475 18088
7287 1 18 . 1 1 4 4 LEU N N 4 121.140 121.140 114.914 6.226 18088
7288 1 18 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.210 -0.170 18088
7289 1 18 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.547 0.513 18088
7290 1 18 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.210 0.980 18088
7291 1 18 . 1 1 4 4 LEU H H 4 8.920 8.920 7.899 1.021 18088
7292 1 18 . 1 1 5 5 GLU N N 5 118.710 118.710 120.210 -1.500 18088
7293 1 18 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.058 -0.778 18088
7294 1 18 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.268 0.402 18088
7295 1 18 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.401 -0.251 18088
7296 1 18 . 1 1 5 5 GLU H H 5 7.880 7.880 7.917 -0.037 18088
7297 1 18 . 1 1 6 6 THR N N 6 116.050 116.050 115.852 0.198 18088
7298 1 18 . 1 1 6 6 THR HA H 6 4.020 4.020 4.026 -0.006 18088
7299 1 18 . 1 1 6 6 THR CA C 6 66.580 66.580 66.583 -0.003 18088
7300 1 18 . 1 1 6 6 THR CB C 6 68.620 68.620 68.642 -0.022 18088
7301 1 18 . 1 1 6 6 THR H H 6 8.440 8.440 7.743 0.697 18088
7302 1 18 . 1 1 7 7 ALA N N 7 125.840 125.840 124.916 0.924 18088
7303 1 18 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.027 0.253 18088
7304 1 18 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.089 0.511 18088
7305 1 18 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.157 -0.087 18088
7306 1 18 . 1 1 7 7 ALA H H 7 8.320 8.320 7.590 0.730 18088
7307 1 18 . 1 1 8 8 MET N N 8 115.330 115.330 117.704 -2.374 18088
7308 1 18 . 1 1 8 8 MET HA H 8 4.860 4.860 4.130 0.730 18088
7309 1 18 . 1 1 8 8 MET CA C 8 56.510 56.510 57.675 -1.165 18088
7310 1 18 . 1 1 8 8 MET CB C 8 28.930 28.930 30.886 -1.956 18088
7311 1 18 . 1 1 8 8 MET H H 8 8.150 8.150 7.690 0.460 18088
7312 1 18 . 1 1 9 9 GLU N N 9 120.410 120.410 118.559 1.851 18088
7313 1 18 . 1 1 9 9 GLU HA H 9 4.160 4.160 3.989 0.171 18088
7314 1 18 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.802 0.148 18088
7315 1 18 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.663 -0.843 18088
7316 1 18 . 1 1 9 9 GLU H H 9 8.760 8.760 7.789 0.971 18088
7317 1 18 . 1 1 10 10 THR N N 10 118.820 118.820 113.541 5.279 18088
7318 1 18 . 1 1 10 10 THR HA H 10 4.130 4.130 4.334 -0.204 18088
7319 1 18 . 1 1 10 10 THR CA C 10 67.180 67.180 65.582 1.598 18088
7320 1 18 . 1 1 10 10 THR CB C 10 67.770 67.770 68.741 -0.971 18088
7321 1 18 . 1 1 10 10 THR H H 10 8.510 8.510 8.106 0.404 18088
7322 1 18 . 1 1 11 11 LEU N N 11 121.840 121.840 122.758 -0.918 18088
7323 1 18 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.365 -0.285 18088
7324 1 18 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.190 2.060 18088
7325 1 18 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.014 0.886 18088
7326 1 18 . 1 1 11 11 LEU H H 11 8.380 8.380 7.600 0.780 18088
7327 1 18 . 1 1 12 12 ILE N N 12 121.310 121.310 119.023 2.287 18088
7328 1 18 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.656 -0.116 18088
7329 1 18 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.620 0.500 18088
7330 1 18 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.150 1.190 18088
7331 1 18 . 1 1 12 12 ILE H H 12 8.520 8.520 8.029 0.491 18088
7332 1 18 . 1 1 13 13 ASN N N 13 120.570 120.570 119.066 1.504 18088
7333 1 18 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.469 -0.099 18088
7334 1 18 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.222 0.318 18088
7335 1 18 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.633 -0.723 18088
7336 1 18 . 1 1 13 13 ASN H H 13 8.700 8.700 7.764 0.936 18088
7337 1 18 . 1 1 14 14 VAL N N 14 122.040 122.040 120.109 1.931 18088
7338 1 18 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.631 0.248 18088
7339 1 18 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.469 0.041 18088
7340 1 18 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.704 0.116 18088
7341 1 18 . 1 1 14 14 VAL H H 14 8.900 8.900 7.387 1.513 18088
7342 1 18 . 1 1 15 15 PHE N N 15 120.410 120.410 119.718 0.692 18088
7343 1 18 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.807 -0.227 18088
7344 1 18 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.074 1.306 18088
7345 1 18 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.217 0.213 18088
7346 1 18 . 1 1 15 15 PHE H H 15 7.490 7.490 7.422 0.068 18088
7347 1 18 . 1 1 16 16 HIS N N 16 118.200 118.200 117.094 1.106 18088
7348 1 18 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.116 1.104 18088
7349 1 18 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.470 -2.140 18088
7350 1 18 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.910 -0.730 18088
7351 1 18 . 1 1 16 16 HIS H H 16 9.280 9.280 8.434 0.846 18088
7352 1 18 . 1 1 17 17 ALA N N 17 121.060 121.060 121.815 -0.755 18088
7353 1 18 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.886 -0.056 18088
7354 1 18 . 1 1 17 17 ALA CA C 17 54.430 54.430 53.859 0.571 18088
7355 1 18 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.590 -1.060 18088
7356 1 18 . 1 1 17 17 ALA H H 17 8.180 8.180 7.470 0.710 18088
7357 1 18 . 1 1 18 18 HIS N N 18 112.580 112.580 115.814 -3.234 18088
7358 1 18 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.639 -0.259 18088
7359 1 18 . 1 1 18 18 HIS CA C 18 56.430 56.430 55.288 1.142 18088
7360 1 18 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.948 1.002 18088
7361 1 18 . 1 1 18 18 HIS H H 18 7.410 7.410 7.597 -0.187 18088
7362 1 18 . 1 1 19 19 SER HA H 19 4.100 4.100 3.830 0.270 18088
7363 1 18 . 1 1 19 19 SER CA C 19 60.250 60.250 59.769 0.481 18088
7364 1 18 . 1 1 19 19 SER CB C 19 61.700 61.700 63.654 -1.954 18088
7365 1 18 . 1 1 20 20 GLY N N 20 106.830 106.830 114.827 -7.997 18088
7366 1 18 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.274 -0.124 18088
7367 1 18 . 1 1 20 20 GLY H H 20 8.260 8.260 8.243 0.017 18088
7368 1 18 . 1 1 21 21 LYS N N 21 120.310 120.310 122.843 -2.533 18088
7369 1 18 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.351 -0.381 18088
7370 1 18 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.644 1.856 18088
7371 1 18 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.838 -0.138 18088
7372 1 18 . 1 1 21 21 LYS H H 21 7.670 7.670 7.975 -0.305 18088
7373 1 18 . 1 1 22 22 GLU N N 22 117.240 117.240 121.086 -3.846 18088
7374 1 18 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.208 0.222 18088
7375 1 18 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.785 -2.465 18088
7376 1 18 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.120 1.030 18088
7377 1 18 . 1 1 22 22 GLU H H 22 7.870 7.870 8.639 -0.769 18088
7378 1 18 . 1 1 23 23 GLY N N 23 107.910 107.910 106.687 1.223 18088
7379 1 18 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.825 1.035 18088
7380 1 18 . 1 1 23 23 GLY H H 23 8.110 8.110 8.323 -0.213 18088
7381 1 18 . 1 1 24 24 ASP N N 24 122.900 122.900 122.600 0.300 18088
7382 1 18 . 1 1 24 24 ASP HA H 24 4.550 4.550 5.016 -0.466 18088
7383 1 18 . 1 1 24 24 ASP CA C 24 53.490 53.490 52.816 0.674 18088
7384 1 18 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.139 1.222 18088
7385 1 18 . 1 1 24 24 ASP H H 24 8.180 8.180 8.055 0.125 18088
7386 1 18 . 1 1 25 25 LYS N N 25 124.810 124.810 123.837 0.973 18088
7387 1 18 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.137 -0.047 18088
7388 1 18 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.502 -2.122 18088
7389 1 18 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.728 -0.778 18088
7390 1 18 . 1 1 25 25 LYS H H 25 8.440 8.440 8.622 -0.182 18088
7391 1 18 . 1 1 26 26 TYR N N 26 117.200 117.200 115.516 1.684 18088
7392 1 18 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.428 0.692 18088
7393 1 18 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.944 -2.594 18088
7394 1 18 . 1 1 26 26 TYR CB C 26 37.670 37.670 37.991 -0.321 18088
7395 1 18 . 1 1 26 26 TYR H H 26 8.490 8.490 8.435 0.055 18088
7396 1 18 . 1 1 27 27 LYS N N 27 118.320 118.320 115.162 3.158 18088
7397 1 18 . 1 1 27 27 LYS HA H 27 5.480 5.480 5.002 0.478 18088
7398 1 18 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.737 0.023 18088
7399 1 18 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.578 0.842 18088
7400 1 18 . 1 1 27 27 LYS H H 27 7.870 7.870 7.739 0.131 18088
7401 1 18 . 1 1 28 28 LEU N N 28 121.530 121.530 120.145 1.385 18088
7402 1 18 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.692 0.028 18088
7403 1 18 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.408 -1.688 18088
7404 1 18 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.893 0.487 18088
7405 1 18 . 1 1 28 28 LEU H H 28 8.840 8.840 8.056 0.783 18088
7406 1 18 . 1 1 29 29 SER N N 29 120.620 120.620 115.797 4.823 18088
7407 1 18 . 1 1 29 29 SER HA H 29 5.040 5.040 4.559 0.481 18088
7408 1 18 . 1 1 29 29 SER CA C 29 57.850 57.850 58.494 -0.644 18088
7409 1 18 . 1 1 29 29 SER CB C 29 64.240 64.240 63.905 0.335 18088
7410 1 18 . 1 1 29 29 SER H H 29 8.940 8.940 8.622 0.318 18088
7411 1 18 . 1 1 30 30 LYS N N 30 124.390 124.390 122.880 1.510 18088
7412 1 18 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.131 -0.271 18088
7413 1 18 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.173 1.287 18088
7414 1 18 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.737 -0.917 18088
7415 1 18 . 1 1 30 30 LYS H H 30 8.810 8.810 8.765 0.045 18088
7416 1 18 . 1 1 31 31 LYS N N 31 120.250 120.250 119.107 1.143 18088
7417 1 18 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.864 0.306 18088
7418 1 18 . 1 1 31 31 LYS CA C 31 59.290 59.290 60.200 -0.910 18088
7419 1 18 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.727 0.743 18088
7420 1 18 . 1 1 31 31 LYS H H 31 8.740 8.740 7.628 1.112 18088
7421 1 18 . 1 1 32 32 GLU N N 32 121.570 121.570 119.120 2.450 18088
7422 1 18 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.165 -0.085 18088
7423 1 18 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.132 0.148 18088
7424 1 18 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.138 0.102 18088
7425 1 18 . 1 1 32 32 GLU H H 32 7.790 7.790 8.620 -0.830 18088
7426 1 18 . 1 1 33 33 LEU N N 33 121.720 121.720 121.505 0.215 18088
7427 1 18 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.214 -0.214 18088
7428 1 18 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.016 0.174 18088
7429 1 18 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.179 -1.700 18088
7430 1 18 . 1 1 33 33 LEU H H 33 8.890 8.890 7.998 0.892 18088
7431 1 18 . 1 1 34 34 LYS N N 34 120.420 120.420 120.251 0.169 18088
7432 1 18 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.885 -0.265 18088
7433 1 18 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.894 -0.054 18088
7434 1 18 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.249 -0.499 18088
7435 1 18 . 1 1 34 34 LYS H H 34 8.420 8.420 8.295 0.125 18088
7436 1 18 . 1 1 35 35 GLU N N 35 117.260 117.260 118.332 -1.072 18088
7437 1 18 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.085 -0.015 18088
7438 1 18 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.658 0.592 18088
7439 1 18 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.689 -0.639 18088
7440 1 18 . 1 1 35 35 GLU H H 35 7.220 7.220 7.550 -0.330 18088
7441 1 18 . 1 1 36 36 LEU N N 36 122.740 122.740 121.149 1.591 18088
7442 1 18 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.922 -0.192 18088
7443 1 18 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.162 1.058 18088
7444 1 18 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.503 0.697 18088
7445 1 18 . 1 1 36 36 LEU H H 36 8.330 8.330 7.373 0.957 18088
7446 1 18 . 1 1 37 37 LEU N N 37 120.360 120.360 115.258 5.102 18088
7447 1 18 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.331 -0.651 18088
7448 1 18 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.818 0.452 18088
7449 1 18 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.336 0.165 18088
7450 1 18 . 1 1 37 37 LEU H H 37 8.790 8.790 7.625 1.165 18088
7451 1 18 . 1 1 38 38 GLN N N 38 113.560 113.560 118.454 -4.894 18088
7452 1 18 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.072 -0.352 18088
7453 1 18 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.405 0.275 18088
7454 1 18 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.396 0.364 18088
7455 1 18 . 1 1 38 38 GLN H H 38 8.100 8.100 8.198 -0.098 18088
7456 1 18 . 1 1 39 39 THR N N 39 109.810 109.810 115.552 -5.742 18088
7457 1 18 . 1 1 39 39 THR HA H 39 4.280 4.280 4.165 0.115 18088
7458 1 18 . 1 1 39 39 THR CA C 39 64.510 64.510 65.689 -1.179 18088
7459 1 18 . 1 1 39 39 THR CB C 39 69.740 69.740 68.838 0.902 18088
7460 1 18 . 1 1 39 39 THR H H 39 7.690 7.690 7.754 -0.064 18088
7461 1 18 . 1 1 40 40 GLU N N 40 118.480 118.480 121.339 -2.859 18088
7462 1 18 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.255 0.475 18088
7463 1 18 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.594 -1.904 18088
7464 1 18 . 1 1 40 40 GLU CB C 40 30.090 30.090 30.040 0.051 18088
7465 1 18 . 1 1 40 40 GLU H H 40 9.000 9.000 7.738 1.262 18088
7466 1 18 . 1 1 41 41 LEU N N 41 120.000 120.000 120.208 -0.208 18088
7467 1 18 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.582 0.568 18088
7468 1 18 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.244 -1.004 18088
7469 1 18 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.778 0.472 18088
7470 1 18 . 1 1 41 41 LEU H H 41 7.890 7.890 8.189 -0.299 18088
7471 1 18 . 1 1 42 42 SER N N 42 112.560 112.560 116.278 -3.718 18088
7472 1 18 . 1 1 42 42 SER HA H 42 3.840 3.840 4.349 -0.509 18088
7473 1 18 . 1 1 42 42 SER CA C 42 61.610 61.610 60.134 1.476 18088
7474 1 18 . 1 1 42 42 SER CB C 42 62.780 62.780 62.694 0.086 18088
7475 1 18 . 1 1 42 42 SER H H 42 6.890 6.890 7.702 -0.812 18088
7476 1 18 . 1 1 43 43 GLY N N 43 114.540 114.540 109.552 4.988 18088
7477 1 18 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.578 -0.918 18088
7478 1 18 . 1 1 43 43 GLY H H 43 9.310 9.310 7.734 1.576 18088
7479 1 18 . 1 1 44 44 PHE N N 44 125.000 125.000 119.564 5.436 18088
7480 1 18 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.322 0.258 18088
7481 1 18 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.852 -2.242 18088
7482 1 18 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.554 -2.094 18088
7483 1 18 . 1 1 44 44 PHE H H 44 8.400 8.400 7.496 0.904 18088
7484 1 18 . 1 1 45 45 LEU N N 45 116.880 116.880 119.466 -2.586 18088
7485 1 18 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.070 -0.560 18088
7486 1 18 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.294 -0.054 18088
7487 1 18 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.928 -0.408 18088
7488 1 18 . 1 1 45 45 LEU H H 45 8.550 8.550 7.750 0.800 18088
7489 1 18 . 1 1 46 46 ASP N N 46 119.260 119.260 120.107 -0.847 18088
7490 1 18 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.442 0.278 18088
7491 1 18 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.995 -1.865 18088
7492 1 18 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.378 1.082 18088
7493 1 18 . 1 1 46 46 ASP H H 46 7.460 7.460 7.819 -0.359 18088
7494 1 18 . 1 1 47 47 ALA N N 47 124.850 124.850 122.295 2.555 18088
7495 1 18 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.299 0.241 18088
7496 1 18 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.912 -1.222 18088
7497 1 18 . 1 1 47 47 ALA CB C 47 18.790 18.790 16.869 1.921 18088
7498 1 18 . 1 1 47 47 ALA H H 47 7.620 7.620 7.554 0.066 18088
7499 1 18 . 1 1 48 48 GLN N N 48 116.830 116.830 117.654 -0.824 18088
7500 1 18 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.468 -0.668 18088
7501 1 18 . 1 1 48 48 GLN CA C 48 57.150 57.150 55.866 1.284 18088
7502 1 18 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.561 0.249 18088
7503 1 18 . 1 1 48 48 GLN H H 48 7.740 7.740 7.776 -0.036 18088
7504 1 18 . 1 1 49 49 LYS N N 49 121.570 121.570 119.428 2.142 18088
7505 1 18 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.344 -0.224 18088
7506 1 18 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.706 -0.876 18088
7507 1 18 . 1 1 49 49 LYS CB C 49 31.050 31.050 33.643 -2.593 18088
7508 1 18 . 1 1 49 49 LYS H H 49 7.790 7.790 8.276 -0.486 18088
7509 1 18 . 1 1 50 50 ASP N N 50 118.910 118.910 122.992 -4.082 18088
7510 1 18 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.813 -0.123 18088
7511 1 18 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.380 -1.550 18088
7512 1 18 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.413 0.537 18088
7513 1 18 . 1 1 50 50 ASP H H 50 7.480 7.480 8.048 -0.568 18088
7514 1 18 . 1 1 51 51 VAL N N 51 122.060 122.060 123.473 -1.413 18088
7515 1 18 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.499 0.401 18088
7516 1 18 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.859 -1.129 18088
7517 1 18 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.862 0.088 18088
7518 1 18 . 1 1 51 51 VAL H H 51 7.820 7.820 8.641 -0.821 18088
7519 1 18 . 1 1 52 52 ASP N N 52 120.090 120.090 119.436 0.654 18088
7520 1 18 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.325 0.055 18088
7521 1 18 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.298 -0.038 18088
7522 1 18 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.957 0.623 18088
7523 1 18 . 1 1 52 52 ASP H H 52 8.190 8.190 8.224 -0.034 18088
7524 1 18 . 1 1 53 53 ALA N N 53 122.110 122.110 122.625 -0.515 18088
7525 1 18 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.293 -0.253 18088
7526 1 18 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.866 -0.266 18088
7527 1 18 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.709 -0.029 18088
7528 1 18 . 1 1 53 53 ALA H H 53 7.620 7.620 8.366 -0.746 18088
7529 1 18 . 1 1 54 54 VAL N N 54 118.070 118.070 118.222 -0.152 18088
7530 1 18 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.591 -0.172 18088
7531 1 18 . 1 1 54 54 VAL CA C 54 66.340 66.340 65.696 0.644 18088
7532 1 18 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.581 0.429 18088
7533 1 18 . 1 1 54 54 VAL H H 54 7.380 7.380 7.615 -0.235 18088
7534 1 18 . 1 1 55 55 ASP N N 55 119.590 119.590 119.995 -0.405 18088
7535 1 18 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.480 -0.170 18088
7536 1 18 . 1 1 55 55 ASP CA C 55 57.370 57.370 57.615 -0.245 18088
7537 1 18 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.128 -0.168 18088
7538 1 18 . 1 1 55 55 ASP H H 55 8.500 8.500 8.475 0.025 18088
7539 1 18 . 1 1 56 56 LYS N N 56 118.010 118.010 120.283 -2.273 18088
7540 1 18 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.905 0.035 18088
7541 1 18 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.474 0.286 18088
7542 1 18 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.489 0.021 18088
7543 1 18 . 1 1 56 56 LYS H H 56 7.970 7.970 7.643 0.327 18088
7544 1 18 . 1 1 57 57 VAL N N 57 119.390 119.390 119.486 -0.096 18088
7545 1 18 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.727 -0.017 18088
7546 1 18 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.271 -0.231 18088
7547 1 18 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.803 0.297 18088
7548 1 18 . 1 1 57 57 VAL H H 57 7.310 7.310 8.151 -0.841 18088
7549 1 18 . 1 1 58 58 MET N N 58 116.040 116.040 117.471 -1.431 18088
7550 1 18 . 1 1 58 58 MET HA H 58 4.120 4.120 4.073 0.047 18088
7551 1 18 . 1 1 58 58 MET CA C 58 57.430 57.430 57.651 -0.221 18088
7552 1 18 . 1 1 58 58 MET CB C 58 31.260 31.260 31.683 -0.423 18088
7553 1 18 . 1 1 58 58 MET H H 58 8.370 8.370 7.472 0.898 18088
7554 1 18 . 1 1 59 59 LYS N N 59 118.900 118.900 119.224 -0.324 18088
7555 1 18 . 1 1 59 59 LYS HA H 59 4.070 4.070 3.999 0.071 18088
7556 1 18 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.396 -0.266 18088
7557 1 18 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.293 0.097 18088
7558 1 18 . 1 1 59 59 LYS H H 59 8.600 8.600 8.741 -0.141 18088
7559 1 18 . 1 1 60 60 GLU N N 60 119.880 119.880 119.146 0.734 18088
7560 1 18 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.116 -0.076 18088
7561 1 18 . 1 1 60 60 GLU CA C 60 59.530 59.530 58.971 0.559 18088
7562 1 18 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.825 -1.275 18088
7563 1 18 . 1 1 60 60 GLU H H 60 7.430 7.430 7.703 -0.273 18088
7564 1 18 . 1 1 61 61 LEU N N 61 116.900 116.900 117.312 -0.412 18088
7565 1 18 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.292 -0.352 18088
7566 1 18 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.206 0.004 18088
7567 1 18 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.820 -1.290 18088
7568 1 18 . 1 1 61 61 LEU H H 61 7.600 7.600 7.480 0.120 18088
7569 1 18 . 1 1 62 62 ASP N N 62 115.990 115.990 121.162 -5.172 18088
7570 1 18 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.295 0.175 18088
7571 1 18 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.571 -1.450 18088
7572 1 18 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.898 0.632 18088
7573 1 18 . 1 1 62 62 ASP H H 62 7.590 7.590 8.645 -1.055 18088
7574 1 18 . 1 1 63 63 GLU N N 63 118.920 118.920 116.003 2.917 18088
7575 1 18 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.311 -0.201 18088
7576 1 18 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.611 0.419 18088
7577 1 18 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.537 0.463 18088
7578 1 18 . 1 1 63 63 GLU H H 63 8.120 8.120 7.908 0.212 18088
7579 1 18 . 1 1 64 64 ASN N N 64 117.750 117.750 117.917 -0.167 18088
7580 1 18 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.996 0.174 18088
7581 1 18 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.794 -0.924 18088
7582 1 18 . 1 1 64 64 ASN CB C 64 38.610 38.610 39.670 -1.060 18088
7583 1 18 . 1 1 64 64 ASN H H 64 7.730 7.730 8.269 -0.539 18088
7584 1 18 . 1 1 65 65 GLY N N 65 107.100 107.100 110.237 -3.137 18088
7585 1 18 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.292 0.588 18088
7586 1 18 . 1 1 65 65 GLY H H 65 7.750 7.750 7.640 0.110 18088
7587 1 18 . 1 1 66 66 ASP N N 66 115.630 115.630 120.968 -5.338 18088
7588 1 18 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.701 0.129 18088
7589 1 18 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.412 -0.362 18088
7590 1 18 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.407 0.153 18088
7591 1 18 . 1 1 66 66 ASP H H 66 8.320 8.320 8.049 0.271 18088
7592 1 18 . 1 1 67 67 GLY N N 67 109.240 109.240 108.771 0.469 18088
7593 1 18 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.415 -0.625 18088
7594 1 18 . 1 1 67 67 GLY H H 67 8.260 8.260 7.810 0.450 18088
7595 1 18 . 1 1 68 68 GLU N N 68 117.540 117.540 117.579 -0.039 18088
7596 1 18 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.830 0.420 18088
7597 1 18 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.669 -0.699 18088
7598 1 18 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.379 0.511 18088
7599 1 18 . 1 1 68 68 GLU H H 68 8.500 8.500 8.213 0.287 18088
7600 1 18 . 1 1 69 69 VAL N N 69 115.550 115.550 118.292 -2.742 18088
7601 1 18 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.616 0.344 18088
7602 1 18 . 1 1 69 69 VAL CA C 69 59.070 59.070 60.113 -1.043 18088
7603 1 18 . 1 1 69 69 VAL CB C 69 35.010 35.010 36.001 -0.991 18088
7604 1 18 . 1 1 69 69 VAL H H 69 9.190 9.190 8.711 0.479 18088
7605 1 18 . 1 1 70 70 ASP N N 70 121.130 121.130 120.266 0.864 18088
7606 1 18 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.935 0.625 18088
7607 1 18 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.873 -1.873 18088
7608 1 18 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.156 0.514 18088
7609 1 18 . 1 1 70 70 ASP H H 70 8.320 8.320 8.050 0.270 18088
7610 1 18 . 1 1 71 71 PHE N N 71 119.290 119.290 120.745 -1.455 18088
7611 1 18 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.758 -0.288 18088
7612 1 18 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.154 -0.694 18088
7613 1 18 . 1 1 71 71 PHE CB C 71 40.230 40.230 40.017 0.213 18088
7614 1 18 . 1 1 71 71 PHE H H 71 9.480 9.480 8.745 0.735 18088
7615 1 18 . 1 1 72 72 GLN N N 72 116.810 116.810 118.490 -1.680 18088
7616 1 18 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.726 -0.316 18088
7617 1 18 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.394 1.256 18088
7618 1 18 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.027 0.703 18088
7619 1 18 . 1 1 72 72 GLN H H 72 8.140 8.140 8.901 -0.761 18088
7620 1 18 . 1 1 73 73 GLU N N 73 119.590 119.590 118.127 1.463 18088
7621 1 18 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.091 -0.131 18088
7622 1 18 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.425 0.706 18088
7623 1 18 . 1 1 73 73 GLU CB C 73 30.190 30.190 28.727 1.463 18088
7624 1 18 . 1 1 73 73 GLU H H 73 8.260 8.260 8.148 0.112 18088
7625 1 18 . 1 1 74 74 TYR N N 74 122.520 122.520 121.497 1.023 18088
7626 1 18 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.013 0.317 18088
7627 1 18 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.156 -1.036 18088
7628 1 18 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.095 -1.385 18088
7629 1 18 . 1 1 74 74 TYR H H 74 8.240 8.240 7.886 0.354 18088
7630 1 18 . 1 1 75 75 VAL N N 75 120.300 120.300 118.644 1.656 18088
7631 1 18 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.057 -0.407 18088
7632 1 18 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.695 0.185 18088
7633 1 18 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.981 -0.551 18088
7634 1 18 . 1 1 75 75 VAL H H 75 7.980 7.980 7.768 0.212 18088
7635 1 18 . 1 1 76 76 VAL N N 76 119.180 119.180 117.513 1.667 18088
7636 1 18 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.589 -0.259 18088
7637 1 18 . 1 1 76 76 VAL CA C 76 66.650 66.650 65.951 0.699 18088
7638 1 18 . 1 1 76 76 VAL CB C 76 31.590 31.590 30.741 0.849 18088
7639 1 18 . 1 1 76 76 VAL H H 76 7.560 7.560 7.346 0.214 18088
7640 1 18 . 1 1 77 77 LEU N N 77 121.440 121.440 118.597 2.843 18088
7641 1 18 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.040 0.100 18088
7642 1 18 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.260 0.920 18088
7643 1 18 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.932 0.018 18088
7644 1 18 . 1 1 77 77 LEU H H 77 7.740 7.740 7.082 0.658 18088
7645 1 18 . 1 1 78 78 VAL N N 78 119.220 119.220 115.602 3.618 18088
7646 1 18 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.406 0.034 18088
7647 1 18 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.528 1.602 18088
7648 1 18 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.372 -0.062 18088
7649 1 18 . 1 1 78 78 VAL H H 78 8.320 8.320 7.297 1.023 18088
7650 1 18 . 1 1 79 79 ALA N N 79 124.780 124.780 120.712 4.068 18088
7651 1 18 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.076 -0.066 18088
7652 1 18 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.806 2.054 18088
7653 1 18 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.476 -0.516 18088
7654 1 18 . 1 1 79 79 ALA H H 79 9.000 9.000 8.500 0.500 18088
7655 1 18 . 1 1 80 80 ALA N N 80 121.760 121.760 121.409 0.351 18088
7656 1 18 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.964 -0.044 18088
7657 1 18 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.535 0.634 18088
7658 1 18 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.188 -0.708 18088
7659 1 18 . 1 1 80 80 ALA H H 80 8.240 8.240 7.357 0.883 18088
7660 1 18 . 1 1 81 81 LEU N N 81 118.310 118.310 117.467 0.843 18088
7661 1 18 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.057 -0.407 18088
7662 1 18 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.371 -0.061 18088
7663 1 18 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.856 -1.206 18088
7664 1 18 . 1 1 81 81 LEU H H 81 7.920 7.920 7.373 0.547 18088
7665 1 18 . 1 1 82 82 THR N N 82 116.240 116.240 115.995 0.245 18088
7666 1 18 . 1 1 82 82 THR HA H 82 3.710 3.710 3.941 -0.231 18088
7667 1 18 . 1 1 82 82 THR CA C 82 68.770 68.770 66.182 2.588 18088
7668 1 18 . 1 1 82 82 THR CB C 82 67.420 67.420 68.354 -0.934 18088
7669 1 18 . 1 1 82 82 THR H H 82 8.120 8.120 7.615 0.505 18088
7670 1 18 . 1 1 83 83 VAL N N 83 120.000 120.000 113.187 6.813 18088
7671 1 18 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.605 -0.575 18088
7672 1 18 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.936 3.014 18088
7673 1 18 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.088 -0.238 18088
7674 1 18 . 1 1 83 83 VAL H H 83 7.780 7.780 7.239 0.541 18088
7675 1 18 . 1 1 87 87 ASN N N 87 124.810 124.810 117.966 6.844 18088
7676 1 18 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.227 0.003 18088
7677 1 18 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.402 1.628 18088
7678 1 18 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.289 -0.020 18088
7679 1 18 . 1 1 87 87 ASN H H 87 9.130 9.130 7.668 1.462 18088
7680 1 18 . 1 1 88 88 PHE N N 88 120.680 120.680 117.316 3.364 18088
7681 1 18 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.249 -0.159 18088
7682 1 18 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.190 1.640 18088
7683 1 18 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.113 0.197 18088
7684 1 18 . 1 1 88 88 PHE H H 88 8.650 8.650 7.679 0.971 18088
7685 1 18 . 1 1 89 89 PHE N N 89 112.580 112.580 115.401 -2.821 18088
7686 1 18 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.665 -0.865 18088
7687 1 18 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.845 1.065 18088
7688 1 18 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.130 -2.250 18088
7689 1 18 . 1 1 89 89 PHE H H 89 7.410 7.410 7.592 -0.182 18088
7690 1 18 . 1 1 90 90 TRP N N 90 118.690 118.690 122.452 -3.762 18088
7691 1 18 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.692 -0.102 18088
7692 1 18 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.448 -0.148 18088
7693 1 18 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.598 3.582 18088
7694 1 18 . 1 1 90 90 TRP H H 90 7.370 7.370 8.322 -0.952 18088
7695 1 18 . 1 1 91 91 GLU N N 91 121.380 121.380 120.037 1.343 18088
7696 1 18 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.380 -0.040 18088
7697 1 18 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.233 0.238 18088
7698 1 18 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.840 -0.410 18088
7699 1 18 . 1 1 91 91 GLU H H 91 7.820 7.820 8.216 -0.396 18088
7700 1 18 . 1 1 92 92 ASN N N 92 120.640 120.640 123.172 -2.532 18088
7701 1 18 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.766 0.034 18088
7702 1 18 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.831 -0.291 18088
7703 1 18 . 1 1 92 92 ASN CB C 92 38.980 38.980 39.056 -0.076 18088
7704 1 18 . 1 1 92 92 ASN H H 92 8.560 8.560 8.549 0.011 18088
7705 1 19 . 1 1 2 2 SER N N 2 118.720 118.720 115.826 2.894 18088
7706 1 19 . 1 1 2 2 SER HA H 2 4.690 4.690 4.493 0.197 18088
7707 1 19 . 1 1 2 2 SER CA C 2 57.270 57.270 57.826 -0.556 18088
7708 1 19 . 1 1 2 2 SER CB C 2 65.140 65.140 64.728 0.412 18088
7709 1 19 . 1 1 2 2 SER H H 2 9.270 9.270 8.241 1.029 18088
7710 1 19 . 1 1 3 3 GLU N N 3 122.920 122.920 122.518 0.402 18088
7711 1 19 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.057 0.063 18088
7712 1 19 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.334 1.156 18088
7713 1 19 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.623 -0.653 18088
7714 1 19 . 1 1 3 3 GLU H H 3 9.260 9.260 8.863 0.397 18088
7715 1 19 . 1 1 4 4 LEU N N 4 121.140 121.140 114.681 6.459 18088
7716 1 19 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.207 -0.167 18088
7717 1 19 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.681 0.379 18088
7718 1 19 . 1 1 4 4 LEU CB C 4 42.190 42.190 40.983 1.207 18088
7719 1 19 . 1 1 4 4 LEU H H 4 8.920 8.920 7.850 1.070 18088
7720 1 19 . 1 1 5 5 GLU N N 5 118.710 118.710 120.302 -1.592 18088
7721 1 19 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.024 -0.744 18088
7722 1 19 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.523 0.147 18088
7723 1 19 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.275 -0.125 18088
7724 1 19 . 1 1 5 5 GLU H H 5 7.880 7.880 7.736 0.144 18088
7725 1 19 . 1 1 6 6 THR N N 6 116.050 116.050 115.981 0.069 18088
7726 1 19 . 1 1 6 6 THR HA H 6 4.020 4.020 4.024 -0.004 18088
7727 1 19 . 1 1 6 6 THR CA C 6 66.580 66.580 65.503 1.077 18088
7728 1 19 . 1 1 6 6 THR CB C 6 68.620 68.620 68.608 0.012 18088
7729 1 19 . 1 1 6 6 THR H H 6 8.440 8.440 7.707 0.733 18088
7730 1 19 . 1 1 7 7 ALA N N 7 125.840 125.840 125.277 0.563 18088
7731 1 19 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.038 0.242 18088
7732 1 19 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.123 0.477 18088
7733 1 19 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.406 -0.336 18088
7734 1 19 . 1 1 7 7 ALA H H 7 8.320 8.320 7.474 0.846 18088
7735 1 19 . 1 1 8 8 MET N N 8 115.330 115.330 116.562 -1.232 18088
7736 1 19 . 1 1 8 8 MET HA H 8 4.860 4.860 4.192 0.668 18088
7737 1 19 . 1 1 8 8 MET CA C 8 56.510 56.510 56.401 0.109 18088
7738 1 19 . 1 1 8 8 MET CB C 8 28.930 28.930 30.615 -1.685 18088
7739 1 19 . 1 1 8 8 MET H H 8 8.150 8.150 7.720 0.430 18088
7740 1 19 . 1 1 9 9 GLU N N 9 120.410 120.410 118.987 1.423 18088
7741 1 19 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.095 0.065 18088
7742 1 19 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.797 0.153 18088
7743 1 19 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.289 -0.469 18088
7744 1 19 . 1 1 9 9 GLU H H 9 8.760 8.760 7.825 0.935 18088
7745 1 19 . 1 1 10 10 THR N N 10 118.820 118.820 112.907 5.913 18088
7746 1 19 . 1 1 10 10 THR HA H 10 4.130 4.130 4.325 -0.195 18088
7747 1 19 . 1 1 10 10 THR CA C 10 67.180 67.180 65.696 1.484 18088
7748 1 19 . 1 1 10 10 THR CB C 10 67.770 67.770 68.840 -1.070 18088
7749 1 19 . 1 1 10 10 THR H H 10 8.510 8.510 7.946 0.564 18088
7750 1 19 . 1 1 11 11 LEU N N 11 121.840 121.840 122.911 -1.071 18088
7751 1 19 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.343 -0.263 18088
7752 1 19 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.205 2.045 18088
7753 1 19 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.084 0.816 18088
7754 1 19 . 1 1 11 11 LEU H H 11 8.380 8.380 7.558 0.822 18088
7755 1 19 . 1 1 12 12 ILE N N 12 121.310 121.310 118.835 2.475 18088
7756 1 19 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.843 -0.303 18088
7757 1 19 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.618 0.502 18088
7758 1 19 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.276 1.064 18088
7759 1 19 . 1 1 12 12 ILE H H 12 8.520 8.520 7.879 0.641 18088
7760 1 19 . 1 1 13 13 ASN N N 13 120.570 120.570 118.396 2.174 18088
7761 1 19 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.455 -0.086 18088
7762 1 19 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.002 0.538 18088
7763 1 19 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.478 -0.568 18088
7764 1 19 . 1 1 13 13 ASN H H 13 8.700 8.700 7.781 0.919 18088
7765 1 19 . 1 1 14 14 VAL N N 14 122.040 122.040 119.646 2.394 18088
7766 1 19 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.724 0.156 18088
7767 1 19 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.227 0.283 18088
7768 1 19 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.645 0.175 18088
7769 1 19 . 1 1 14 14 VAL H H 14 8.900 8.900 7.411 1.489 18088
7770 1 19 . 1 1 15 15 PHE N N 15 120.410 120.410 119.532 0.878 18088
7771 1 19 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.926 -0.346 18088
7772 1 19 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.109 1.270 18088
7773 1 19 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.216 0.214 18088
7774 1 19 . 1 1 15 15 PHE H H 15 7.490 7.490 7.262 0.228 18088
7775 1 19 . 1 1 16 16 HIS N N 16 118.200 118.200 119.030 -0.830 18088
7776 1 19 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.328 0.892 18088
7777 1 19 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.112 -1.782 18088
7778 1 19 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.793 0.388 18088
7779 1 19 . 1 1 16 16 HIS H H 16 9.280 9.280 8.166 1.114 18088
7780 1 19 . 1 1 17 17 ALA N N 17 121.060 121.060 122.844 -1.784 18088
7781 1 19 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.885 -0.055 18088
7782 1 19 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.247 0.183 18088
7783 1 19 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.457 -0.927 18088
7784 1 19 . 1 1 17 17 ALA H H 17 8.180 8.180 7.952 0.228 18088
7785 1 19 . 1 1 18 18 HIS N N 18 112.580 112.580 113.825 -1.245 18088
7786 1 19 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.696 -0.316 18088
7787 1 19 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.582 1.848 18088
7788 1 19 . 1 1 18 18 HIS CB C 18 30.950 30.950 31.102 -0.152 18088
7789 1 19 . 1 1 18 18 HIS H H 18 7.410 7.410 7.598 -0.188 18088
7790 1 19 . 1 1 19 19 SER HA H 19 4.100 4.100 3.856 0.244 18088
7791 1 19 . 1 1 19 19 SER CA C 19 60.250 60.250 59.630 0.620 18088
7792 1 19 . 1 1 19 19 SER CB C 19 61.700 61.700 64.060 -2.360 18088
7793 1 19 . 1 1 20 20 GLY N N 20 106.830 106.830 113.651 -6.821 18088
7794 1 19 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.370 -0.220 18088
7795 1 19 . 1 1 20 20 GLY H H 20 8.260 8.260 8.106 0.154 18088
7796 1 19 . 1 1 21 21 LYS N N 21 120.310 120.310 123.298 -2.988 18088
7797 1 19 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.289 -0.319 18088
7798 1 19 . 1 1 21 21 LYS CA C 21 58.500 58.500 57.049 1.451 18088
7799 1 19 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.773 -0.073 18088
7800 1 19 . 1 1 21 21 LYS H H 21 7.670 7.670 8.181 -0.511 18088
7801 1 19 . 1 1 22 22 GLU N N 22 117.240 117.240 120.720 -3.480 18088
7802 1 19 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.329 0.101 18088
7803 1 19 . 1 1 22 22 GLU CA C 22 55.320 55.320 56.839 -1.519 18088
7804 1 19 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.300 0.850 18088
7805 1 19 . 1 1 22 22 GLU H H 22 7.870 7.870 8.735 -0.865 18088
7806 1 19 . 1 1 23 23 GLY N N 23 107.910 107.910 108.014 -0.104 18088
7807 1 19 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.924 0.936 18088
7808 1 19 . 1 1 23 23 GLY H H 23 8.110 8.110 8.433 -0.323 18088
7809 1 19 . 1 1 24 24 ASP N N 24 122.900 122.900 121.508 1.392 18088
7810 1 19 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.953 -0.403 18088
7811 1 19 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.698 -0.208 18088
7812 1 19 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.828 0.532 18088
7813 1 19 . 1 1 24 24 ASP H H 24 8.180 8.180 8.087 0.093 18088
7814 1 19 . 1 1 25 25 LYS N N 25 124.810 124.810 124.518 0.292 18088
7815 1 19 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.260 -0.170 18088
7816 1 19 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.576 -2.196 18088
7817 1 19 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.829 -0.879 18088
7818 1 19 . 1 1 25 25 LYS H H 25 8.440 8.440 8.806 -0.366 18088
7819 1 19 . 1 1 26 26 TYR N N 26 117.200 117.200 115.070 2.130 18088
7820 1 19 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.479 0.641 18088
7821 1 19 . 1 1 26 26 TYR CA C 26 57.350 57.350 60.233 -2.884 18088
7822 1 19 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.014 -0.344 18088
7823 1 19 . 1 1 26 26 TYR H H 26 8.490 8.490 8.767 -0.277 18088
7824 1 19 . 1 1 27 27 LYS N N 27 118.320 118.320 117.035 1.285 18088
7825 1 19 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.892 0.588 18088
7826 1 19 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.113 -0.353 18088
7827 1 19 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.114 1.306 18088
7828 1 19 . 1 1 27 27 LYS H H 27 7.870 7.870 7.534 0.336 18088
7829 1 19 . 1 1 28 28 LEU N N 28 121.530 121.530 122.286 -0.756 18088
7830 1 19 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.706 0.014 18088
7831 1 19 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.942 -1.222 18088
7832 1 19 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.868 0.512 18088
7833 1 19 . 1 1 28 28 LEU H H 28 8.840 8.840 8.098 0.742 18088
7834 1 19 . 1 1 29 29 SER N N 29 120.620 120.620 117.822 2.798 18088
7835 1 19 . 1 1 29 29 SER HA H 29 5.040 5.040 4.532 0.508 18088
7836 1 19 . 1 1 29 29 SER CA C 29 57.850 57.850 58.167 -0.317 18088
7837 1 19 . 1 1 29 29 SER CB C 29 64.240 64.240 63.846 0.394 18088
7838 1 19 . 1 1 29 29 SER H H 29 8.940 8.940 8.672 0.268 18088
7839 1 19 . 1 1 30 30 LYS N N 30 124.390 124.390 123.135 1.255 18088
7840 1 19 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.165 -0.305 18088
7841 1 19 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.499 1.961 18088
7842 1 19 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.584 -0.764 18088
7843 1 19 . 1 1 30 30 LYS H H 30 8.810 8.810 8.678 0.132 18088
7844 1 19 . 1 1 31 31 LYS N N 31 120.250 120.250 119.841 0.409 18088
7845 1 19 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.924 0.246 18088
7846 1 19 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.429 -0.139 18088
7847 1 19 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.630 0.841 18088
7848 1 19 . 1 1 31 31 LYS H H 31 8.740 8.740 8.103 0.637 18088
7849 1 19 . 1 1 32 32 GLU N N 32 121.570 121.570 119.388 2.182 18088
7850 1 19 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.139 -0.059 18088
7851 1 19 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.213 0.067 18088
7852 1 19 . 1 1 32 32 GLU CB C 32 29.240 29.240 29.190 0.050 18088
7853 1 19 . 1 1 32 32 GLU H H 32 7.790 7.790 8.540 -0.750 18088
7854 1 19 . 1 1 33 33 LEU N N 33 121.720 121.720 121.597 0.123 18088
7855 1 19 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.134 -0.134 18088
7856 1 19 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.426 -0.236 18088
7857 1 19 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.062 -1.582 18088
7858 1 19 . 1 1 33 33 LEU H H 33 8.890 8.890 8.251 0.639 18088
7859 1 19 . 1 1 34 34 LYS N N 34 120.420 120.420 119.468 0.952 18088
7860 1 19 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.879 -0.259 18088
7861 1 19 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.534 0.306 18088
7862 1 19 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.085 -0.335 18088
7863 1 19 . 1 1 34 34 LYS H H 34 8.420 8.420 8.019 0.401 18088
7864 1 19 . 1 1 35 35 GLU N N 35 117.260 117.260 118.210 -0.950 18088
7865 1 19 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.081 -0.011 18088
7866 1 19 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.401 0.849 18088
7867 1 19 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.713 -0.663 18088
7868 1 19 . 1 1 35 35 GLU H H 35 7.220 7.220 7.523 -0.303 18088
7869 1 19 . 1 1 36 36 LEU N N 36 122.740 122.740 120.654 2.086 18088
7870 1 19 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.960 -0.230 18088
7871 1 19 . 1 1 36 36 LEU CA C 36 59.220 59.220 57.965 1.255 18088
7872 1 19 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.386 0.814 18088
7873 1 19 . 1 1 36 36 LEU H H 36 8.330 8.330 7.394 0.936 18088
7874 1 19 . 1 1 37 37 LEU N N 37 120.360 120.360 115.290 5.070 18088
7875 1 19 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.240 -0.560 18088
7876 1 19 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.871 0.399 18088
7877 1 19 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.291 0.209 18088
7878 1 19 . 1 1 37 37 LEU H H 37 8.790 8.790 7.690 1.100 18088
7879 1 19 . 1 1 38 38 GLN N N 38 113.560 113.560 117.731 -4.171 18088
7880 1 19 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.078 -0.358 18088
7881 1 19 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.383 0.297 18088
7882 1 19 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.450 0.310 18088
7883 1 19 . 1 1 38 38 GLN H H 38 8.100 8.100 7.958 0.142 18088
7884 1 19 . 1 1 39 39 THR N N 39 109.810 109.810 115.591 -5.781 18088
7885 1 19 . 1 1 39 39 THR HA H 39 4.280 4.280 4.223 0.057 18088
7886 1 19 . 1 1 39 39 THR CA C 39 64.510 64.510 65.356 -0.846 18088
7887 1 19 . 1 1 39 39 THR CB C 39 69.740 69.740 69.017 0.723 18088
7888 1 19 . 1 1 39 39 THR H H 39 7.690 7.690 7.694 -0.004 18088
7889 1 19 . 1 1 40 40 GLU N N 40 118.480 118.480 121.346 -2.866 18088
7890 1 19 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.261 0.469 18088
7891 1 19 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.575 -1.885 18088
7892 1 19 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.917 0.173 18088
7893 1 19 . 1 1 40 40 GLU H H 40 9.000 9.000 7.743 1.257 18088
7894 1 19 . 1 1 41 41 LEU N N 41 120.000 120.000 120.417 -0.417 18088
7895 1 19 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.607 0.543 18088
7896 1 19 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.958 -0.718 18088
7897 1 19 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.551 0.699 18088
7898 1 19 . 1 1 41 41 LEU H H 41 7.890 7.890 7.967 -0.077 18088
7899 1 19 . 1 1 42 42 SER N N 42 112.560 112.560 116.472 -3.912 18088
7900 1 19 . 1 1 42 42 SER HA H 42 3.840 3.840 4.366 -0.526 18088
7901 1 19 . 1 1 42 42 SER CA C 42 61.610 61.610 60.489 1.121 18088
7902 1 19 . 1 1 42 42 SER CB C 42 62.780 62.780 63.062 -0.282 18088
7903 1 19 . 1 1 42 42 SER H H 42 6.890 6.890 7.641 -0.751 18088
7904 1 19 . 1 1 43 43 GLY N N 43 114.540 114.540 109.667 4.873 18088
7905 1 19 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.217 -0.557 18088
7906 1 19 . 1 1 43 43 GLY H H 43 9.310 9.310 7.970 1.340 18088
7907 1 19 . 1 1 44 44 PHE N N 44 125.000 125.000 119.467 5.533 18088
7908 1 19 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.364 0.216 18088
7909 1 19 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.773 -2.163 18088
7910 1 19 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.916 -2.455 18088
7911 1 19 . 1 1 44 44 PHE H H 44 8.400 8.400 7.478 0.922 18088
7912 1 19 . 1 1 45 45 LEU N N 45 116.880 116.880 120.109 -3.229 18088
7913 1 19 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.001 -0.491 18088
7914 1 19 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.418 -0.178 18088
7915 1 19 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.629 -0.109 18088
7916 1 19 . 1 1 45 45 LEU H H 45 8.550 8.550 7.625 0.925 18088
7917 1 19 . 1 1 46 46 ASP N N 46 119.260 119.260 118.697 0.563 18088
7918 1 19 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.543 0.177 18088
7919 1 19 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.058 -0.928 18088
7920 1 19 . 1 1 46 46 ASP CB C 46 41.460 41.460 41.261 0.199 18088
7921 1 19 . 1 1 46 46 ASP H H 46 7.460 7.460 7.769 -0.309 18088
7922 1 19 . 1 1 47 47 ALA N N 47 124.850 124.850 121.124 3.726 18088
7923 1 19 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.241 0.299 18088
7924 1 19 . 1 1 47 47 ALA CA C 47 50.690 50.690 52.671 -1.981 18088
7925 1 19 . 1 1 47 47 ALA CB C 47 18.790 18.790 18.356 0.434 18088
7926 1 19 . 1 1 47 47 ALA H H 47 7.620 7.620 7.443 0.177 18088
7927 1 19 . 1 1 48 48 GLN N N 48 116.830 116.830 117.312 -0.482 18088
7928 1 19 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.131 -0.331 18088
7929 1 19 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.803 0.347 18088
7930 1 19 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.312 0.498 18088
7931 1 19 . 1 1 48 48 GLN H H 48 7.740 7.740 7.395 0.345 18088
7932 1 19 . 1 1 49 49 LYS N N 49 121.570 121.570 120.877 0.693 18088
7933 1 19 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.337 -0.217 18088
7934 1 19 . 1 1 49 49 LYS CA C 49 55.830 55.830 57.111 -1.282 18088
7935 1 19 . 1 1 49 49 LYS CB C 49 31.050 31.050 33.207 -2.157 18088
7936 1 19 . 1 1 49 49 LYS H H 49 7.790 7.790 8.326 -0.536 18088
7937 1 19 . 1 1 50 50 ASP N N 50 118.910 118.910 123.328 -4.418 18088
7938 1 19 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.785 -0.095 18088
7939 1 19 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.545 -1.715 18088
7940 1 19 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.579 0.371 18088
7941 1 19 . 1 1 50 50 ASP H H 50 7.480 7.480 8.146 -0.666 18088
7942 1 19 . 1 1 51 51 VAL N N 51 122.060 122.060 122.110 -0.050 18088
7943 1 19 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.586 0.314 18088
7944 1 19 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.634 -0.904 18088
7945 1 19 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.343 0.607 18088
7946 1 19 . 1 1 51 51 VAL H H 51 7.820 7.820 8.651 -0.831 18088
7947 1 19 . 1 1 52 52 ASP N N 52 120.090 120.090 119.735 0.355 18088
7948 1 19 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.277 0.103 18088
7949 1 19 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.536 -0.276 18088
7950 1 19 . 1 1 52 52 ASP CB C 52 40.580 40.580 39.991 0.589 18088
7951 1 19 . 1 1 52 52 ASP H H 52 8.190 8.190 8.500 -0.310 18088
7952 1 19 . 1 1 53 53 ALA N N 53 122.110 122.110 121.899 0.211 18088
7953 1 19 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.253 -0.213 18088
7954 1 19 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.827 -0.227 18088
7955 1 19 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.818 -0.138 18088
7956 1 19 . 1 1 53 53 ALA H H 53 7.620 7.620 8.610 -0.990 18088
7957 1 19 . 1 1 54 54 VAL N N 54 118.070 118.070 118.921 -0.851 18088
7958 1 19 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.600 -0.180 18088
7959 1 19 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.541 -0.201 18088
7960 1 19 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.067 0.943 18088
7961 1 19 . 1 1 54 54 VAL H H 54 7.380 7.380 7.661 -0.281 18088
7962 1 19 . 1 1 55 55 ASP N N 55 119.590 119.590 118.301 1.289 18088
7963 1 19 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.548 -0.238 18088
7964 1 19 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.580 0.790 18088
7965 1 19 . 1 1 55 55 ASP CB C 55 40.960 40.960 41.112 -0.152 18088
7966 1 19 . 1 1 55 55 ASP H H 55 8.500 8.500 8.447 0.053 18088
7967 1 19 . 1 1 56 56 LYS N N 56 118.010 118.010 120.349 -2.339 18088
7968 1 19 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.101 -0.161 18088
7969 1 19 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.213 0.547 18088
7970 1 19 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.712 -0.203 18088
7971 1 19 . 1 1 56 56 LYS H H 56 7.970 7.970 7.667 0.303 18088
7972 1 19 . 1 1 57 57 VAL N N 57 119.390 119.390 120.174 -0.784 18088
7973 1 19 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.663 0.047 18088
7974 1 19 . 1 1 57 57 VAL CA C 57 66.040 66.040 66.405 -0.365 18088
7975 1 19 . 1 1 57 57 VAL CB C 57 32.100 32.100 32.020 0.080 18088
7976 1 19 . 1 1 57 57 VAL H H 57 7.310 7.310 8.076 -0.766 18088
7977 1 19 . 1 1 58 58 MET N N 58 116.040 116.040 116.635 -0.595 18088
7978 1 19 . 1 1 58 58 MET HA H 58 4.120 4.120 4.159 -0.039 18088
7979 1 19 . 1 1 58 58 MET CA C 58 57.430 57.430 58.154 -0.724 18088
7980 1 19 . 1 1 58 58 MET CB C 58 31.260 31.260 31.764 -0.503 18088
7981 1 19 . 1 1 58 58 MET H H 58 8.370 8.370 7.501 0.869 18088
7982 1 19 . 1 1 59 59 LYS N N 59 118.900 118.900 118.073 0.827 18088
7983 1 19 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.043 0.027 18088
7984 1 19 . 1 1 59 59 LYS CA C 59 59.130 59.130 58.928 0.202 18088
7985 1 19 . 1 1 59 59 LYS CB C 59 32.390 32.390 31.984 0.406 18088
7986 1 19 . 1 1 59 59 LYS H H 59 8.600 8.600 7.791 0.809 18088
7987 1 19 . 1 1 60 60 GLU N N 60 119.880 119.880 119.701 0.179 18088
7988 1 19 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.062 -0.022 18088
7989 1 19 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.309 0.221 18088
7990 1 19 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.763 -1.213 18088
7991 1 19 . 1 1 60 60 GLU H H 60 7.430 7.430 7.598 -0.168 18088
7992 1 19 . 1 1 61 61 LEU N N 61 116.900 116.900 118.374 -1.474 18088
7993 1 19 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.032 -0.092 18088
7994 1 19 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.461 -0.251 18088
7995 1 19 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.589 -1.059 18088
7996 1 19 . 1 1 61 61 LEU H H 61 7.600 7.600 7.463 0.137 18088
7997 1 19 . 1 1 62 62 ASP N N 62 115.990 115.990 117.878 -1.888 18088
7998 1 19 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.289 0.181 18088
7999 1 19 . 1 1 62 62 ASP CA C 62 56.120 56.120 56.794 -0.674 18088
8000 1 19 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.927 0.603 18088
8001 1 19 . 1 1 62 62 ASP H H 62 7.590 7.590 7.924 -0.334 18088
8002 1 19 . 1 1 63 63 GLU N N 63 118.920 118.920 116.091 2.829 18088
8003 1 19 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.339 -0.229 18088
8004 1 19 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.581 0.449 18088
8005 1 19 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.893 0.107 18088
8006 1 19 . 1 1 63 63 GLU H H 63 8.120 8.120 7.607 0.513 18088
8007 1 19 . 1 1 64 64 ASN N N 64 117.750 117.750 118.115 -0.365 18088
8008 1 19 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.893 0.277 18088
8009 1 19 . 1 1 64 64 ASN CA C 64 51.870 51.870 53.023 -1.153 18088
8010 1 19 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.228 0.382 18088
8011 1 19 . 1 1 64 64 ASN H H 64 7.730 7.730 7.578 0.152 18088
8012 1 19 . 1 1 65 65 GLY N N 65 107.100 107.100 110.529 -3.429 18088
8013 1 19 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.265 0.615 18088
8014 1 19 . 1 1 65 65 GLY H H 65 7.750 7.750 8.023 -0.273 18088
8015 1 19 . 1 1 66 66 ASP N N 66 115.630 115.630 120.034 -4.404 18088
8016 1 19 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.755 0.075 18088
8017 1 19 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.585 0.465 18088
8018 1 19 . 1 1 66 66 ASP CB C 66 40.560 40.560 41.270 -0.710 18088
8019 1 19 . 1 1 66 66 ASP H H 66 8.320 8.320 8.249 0.071 18088
8020 1 19 . 1 1 67 67 GLY N N 67 109.240 109.240 108.061 1.179 18088
8021 1 19 . 1 1 67 67 GLY CA C 67 44.790 44.790 45.220 -0.430 18088
8022 1 19 . 1 1 67 67 GLY H H 67 8.260 8.260 7.717 0.543 18088
8023 1 19 . 1 1 68 68 GLU N N 68 117.540 117.540 117.436 0.104 18088
8024 1 19 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.517 0.733 18088
8025 1 19 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.490 -0.520 18088
8026 1 19 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.389 0.501 18088
8027 1 19 . 1 1 68 68 GLU H H 68 8.500 8.500 8.009 0.491 18088
8028 1 19 . 1 1 69 69 VAL N N 69 115.550 115.550 120.647 -5.097 18088
8029 1 19 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.682 0.278 18088
8030 1 19 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.174 -0.104 18088
8031 1 19 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.704 -0.694 18088
8032 1 19 . 1 1 69 69 VAL H H 69 9.190 9.190 8.935 0.255 18088
8033 1 19 . 1 1 70 70 ASP N N 70 121.130 121.130 120.615 0.515 18088
8034 1 19 . 1 1 70 70 ASP HA H 70 5.560 5.560 4.889 0.671 18088
8035 1 19 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.886 -1.886 18088
8036 1 19 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.071 0.599 18088
8037 1 19 . 1 1 70 70 ASP H H 70 8.320 8.320 8.131 0.189 18088
8038 1 19 . 1 1 71 71 PHE N N 71 119.290 119.290 120.689 -1.399 18088
8039 1 19 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.922 -0.452 18088
8040 1 19 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.309 -0.849 18088
8041 1 19 . 1 1 71 71 PHE CB C 71 40.230 40.230 40.061 0.169 18088
8042 1 19 . 1 1 71 71 PHE H H 71 9.480 9.480 8.683 0.797 18088
8043 1 19 . 1 1 72 72 GLN N N 72 116.810 116.810 118.866 -2.056 18088
8044 1 19 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.921 -0.511 18088
8045 1 19 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.601 1.049 18088
8046 1 19 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.013 0.717 18088
8047 1 19 . 1 1 72 72 GLN H H 72 8.140 8.140 8.928 -0.788 18088
8048 1 19 . 1 1 73 73 GLU N N 73 119.590 119.590 117.410 2.180 18088
8049 1 19 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.045 -0.085 18088
8050 1 19 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.809 0.321 18088
8051 1 19 . 1 1 73 73 GLU CB C 73 30.190 30.190 28.974 1.216 18088
8052 1 19 . 1 1 73 73 GLU H H 73 8.260 8.260 8.543 -0.283 18088
8053 1 19 . 1 1 74 74 TYR N N 74 122.520 122.520 122.295 0.225 18088
8054 1 19 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.053 0.277 18088
8055 1 19 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.141 -1.021 18088
8056 1 19 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.028 -1.318 18088
8057 1 19 . 1 1 74 74 TYR H H 74 8.240 8.240 8.051 0.189 18088
8058 1 19 . 1 1 75 75 VAL N N 75 120.300 120.300 117.349 2.951 18088
8059 1 19 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.085 -0.435 18088
8060 1 19 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.797 1.083 18088
8061 1 19 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.939 -0.509 18088
8062 1 19 . 1 1 75 75 VAL H H 75 7.980 7.980 7.612 0.368 18088
8063 1 19 . 1 1 76 76 VAL N N 76 119.180 119.180 120.190 -1.010 18088
8064 1 19 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.584 -0.254 18088
8065 1 19 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.039 0.611 18088
8066 1 19 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.073 0.517 18088
8067 1 19 . 1 1 76 76 VAL H H 76 7.560 7.560 8.137 -0.577 18088
8068 1 19 . 1 1 77 77 LEU N N 77 121.440 121.440 120.189 1.251 18088
8069 1 19 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.048 0.092 18088
8070 1 19 . 1 1 77 77 LEU CA C 77 58.180 58.180 58.168 0.012 18088
8071 1 19 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.534 0.416 18088
8072 1 19 . 1 1 77 77 LEU H H 77 7.740 7.740 7.351 0.389 18088
8073 1 19 . 1 1 78 78 VAL N N 78 119.220 119.220 115.056 4.164 18088
8074 1 19 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.406 0.034 18088
8075 1 19 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.892 1.238 18088
8076 1 19 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.082 0.228 18088
8077 1 19 . 1 1 78 78 VAL H H 78 8.320 8.320 7.117 1.203 18088
8078 1 19 . 1 1 79 79 ALA N N 79 124.780 124.780 121.394 3.386 18088
8079 1 19 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.112 -0.102 18088
8080 1 19 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.733 2.127 18088
8081 1 19 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.421 -0.461 18088
8082 1 19 . 1 1 79 79 ALA H H 79 9.000 9.000 7.889 1.111 18088
8083 1 19 . 1 1 80 80 ALA N N 80 121.760 121.760 121.482 0.278 18088
8084 1 19 . 1 1 80 80 ALA HA H 80 3.920 3.920 4.000 -0.080 18088
8085 1 19 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.504 0.666 18088
8086 1 19 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.262 -0.782 18088
8087 1 19 . 1 1 80 80 ALA H H 80 8.240 8.240 7.428 0.812 18088
8088 1 19 . 1 1 81 81 LEU N N 81 118.310 118.310 117.657 0.653 18088
8089 1 19 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.073 -0.423 18088
8090 1 19 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.417 -0.107 18088
8091 1 19 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.937 -1.287 18088
8092 1 19 . 1 1 81 81 LEU H H 81 7.920 7.920 7.437 0.483 18088
8093 1 19 . 1 1 82 82 THR N N 82 116.240 116.240 115.409 0.831 18088
8094 1 19 . 1 1 82 82 THR HA H 82 3.710 3.710 4.008 -0.298 18088
8095 1 19 . 1 1 82 82 THR CA C 82 68.770 68.770 66.207 2.563 18088
8096 1 19 . 1 1 82 82 THR CB C 82 67.420 67.420 68.470 -1.050 18088
8097 1 19 . 1 1 82 82 THR H H 82 8.120 8.120 7.575 0.545 18088
8098 1 19 . 1 1 83 83 VAL N N 83 120.000 120.000 111.763 8.237 18088
8099 1 19 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.769 -0.739 18088
8100 1 19 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.676 3.273 18088
8101 1 19 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.395 -0.545 18088
8102 1 19 . 1 1 83 83 VAL H H 83 7.780 7.780 7.284 0.496 18088
8103 1 19 . 1 1 87 87 ASN N N 87 124.810 124.810 117.936 6.874 18088
8104 1 19 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.282 -0.052 18088
8105 1 19 . 1 1 87 87 ASN CA C 87 56.030 56.030 53.617 2.413 18088
8106 1 19 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.283 -0.013 18088
8107 1 19 . 1 1 87 87 ASN H H 87 9.130 9.130 7.677 1.453 18088
8108 1 19 . 1 1 88 88 PHE N N 88 120.680 120.680 116.254 4.426 18088
8109 1 19 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.115 -0.025 18088
8110 1 19 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.398 1.432 18088
8111 1 19 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.882 0.428 18088
8112 1 19 . 1 1 88 88 PHE H H 88 8.650 8.650 7.707 0.943 18088
8113 1 19 . 1 1 89 89 PHE N N 89 112.580 112.580 114.878 -2.298 18088
8114 1 19 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.679 -0.879 18088
8115 1 19 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.888 1.022 18088
8116 1 19 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.862 -1.982 18088
8117 1 19 . 1 1 89 89 PHE H H 89 7.410 7.410 7.562 -0.152 18088
8118 1 19 . 1 1 90 90 TRP N N 90 118.690 118.690 122.499 -3.809 18088
8119 1 19 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.690 -0.100 18088
8120 1 19 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.683 -0.383 18088
8121 1 19 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.636 3.544 18088
8122 1 19 . 1 1 90 90 TRP H H 90 7.370 7.370 8.359 -0.989 18088
8123 1 19 . 1 1 91 91 GLU N N 91 121.380 121.380 119.951 1.429 18088
8124 1 19 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.389 -0.049 18088
8125 1 19 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.290 0.180 18088
8126 1 19 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.611 -0.181 18088
8127 1 19 . 1 1 91 91 GLU H H 91 7.820 7.820 8.088 -0.268 18088
8128 1 19 . 1 1 92 92 ASN N N 92 120.640 120.640 122.599 -1.959 18088
8129 1 19 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.734 0.066 18088
8130 1 19 . 1 1 92 92 ASN CA C 92 53.540 53.540 54.040 -0.500 18088
8131 1 19 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.956 0.024 18088
8132 1 19 . 1 1 92 92 ASN H H 92 8.560 8.560 8.520 0.040 18088
8133 1 20 . 1 1 2 2 SER N N 2 118.720 118.720 117.337 1.383 18088
8134 1 20 . 1 1 2 2 SER HA H 2 4.690 4.690 4.719 -0.029 18088
8135 1 20 . 1 1 2 2 SER CA C 2 57.270 57.270 57.579 -0.309 18088
8136 1 20 . 1 1 2 2 SER CB C 2 65.140 65.140 65.423 -0.283 18088
8137 1 20 . 1 1 2 2 SER H H 2 9.270 9.270 8.468 0.802 18088
8138 1 20 . 1 1 3 3 GLU N N 3 122.920 122.920 120.488 2.432 18088
8139 1 20 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.063 0.057 18088
8140 1 20 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.460 1.030 18088
8141 1 20 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.247 -0.277 18088
8142 1 20 . 1 1 3 3 GLU H H 3 9.260 9.260 8.934 0.326 18088
8143 1 20 . 1 1 4 4 LEU N N 4 121.140 121.140 116.251 4.889 18088
8144 1 20 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.179 -0.139 18088
8145 1 20 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.953 0.107 18088
8146 1 20 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.062 1.128 18088
8147 1 20 . 1 1 4 4 LEU H H 4 8.920 8.920 7.951 0.969 18088
8148 1 20 . 1 1 5 5 GLU N N 5 118.710 118.710 119.933 -1.223 18088
8149 1 20 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.072 -0.792 18088
8150 1 20 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.304 0.366 18088
8151 1 20 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.623 -0.473 18088
8152 1 20 . 1 1 5 5 GLU H H 5 7.880 7.880 7.634 0.246 18088
8153 1 20 . 1 1 6 6 THR N N 6 116.050 116.050 116.483 -0.433 18088
8154 1 20 . 1 1 6 6 THR HA H 6 4.020 4.020 4.008 0.012 18088
8155 1 20 . 1 1 6 6 THR CA C 6 66.580 66.580 66.081 0.499 18088
8156 1 20 . 1 1 6 6 THR CB C 6 68.620 68.620 68.750 -0.130 18088
8157 1 20 . 1 1 6 6 THR H H 6 8.440 8.440 7.893 0.547 18088
8158 1 20 . 1 1 7 7 ALA N N 7 125.840 125.840 125.014 0.826 18088
8159 1 20 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.044 0.236 18088
8160 1 20 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.133 0.467 18088
8161 1 20 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.337 -0.267 18088
8162 1 20 . 1 1 7 7 ALA H H 7 8.320 8.320 8.147 0.173 18088
8163 1 20 . 1 1 8 8 MET N N 8 115.330 115.330 117.478 -2.148 18088
8164 1 20 . 1 1 8 8 MET HA H 8 4.860 4.860 4.188 0.672 18088
8165 1 20 . 1 1 8 8 MET CA C 8 56.510 56.510 56.860 -0.350 18088
8166 1 20 . 1 1 8 8 MET CB C 8 28.930 28.930 30.754 -1.824 18088
8167 1 20 . 1 1 8 8 MET H H 8 8.150 8.150 7.679 0.471 18088
8168 1 20 . 1 1 9 9 GLU N N 9 120.410 120.410 119.341 1.069 18088
8169 1 20 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.045 0.116 18088
8170 1 20 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.642 0.308 18088
8171 1 20 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.259 -0.439 18088
8172 1 20 . 1 1 9 9 GLU H H 9 8.760 8.760 7.864 0.896 18088
8173 1 20 . 1 1 10 10 THR N N 10 118.820 118.820 111.471 7.349 18088
8174 1 20 . 1 1 10 10 THR HA H 10 4.130 4.130 4.368 -0.238 18088
8175 1 20 . 1 1 10 10 THR CA C 10 67.180 67.180 65.102 2.078 18088
8176 1 20 . 1 1 10 10 THR CB C 10 67.770 67.770 68.947 -1.177 18088
8177 1 20 . 1 1 10 10 THR H H 10 8.510 8.510 7.991 0.519 18088
8178 1 20 . 1 1 11 11 LEU N N 11 121.840 121.840 122.713 -0.873 18088
8179 1 20 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.306 -0.226 18088
8180 1 20 . 1 1 11 11 LEU CA C 11 60.250 60.250 57.865 2.385 18088
8181 1 20 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.307 0.593 18088
8182 1 20 . 1 1 11 11 LEU H H 11 8.380 8.380 7.397 0.983 18088
8183 1 20 . 1 1 12 12 ILE N N 12 121.310 121.310 118.526 2.784 18088
8184 1 20 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.657 -0.117 18088
8185 1 20 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.520 0.600 18088
8186 1 20 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.084 1.256 18088
8187 1 20 . 1 1 12 12 ILE H H 12 8.520 8.520 7.988 0.532 18088
8188 1 20 . 1 1 13 13 ASN N N 13 120.570 120.570 118.441 2.129 18088
8189 1 20 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.435 -0.065 18088
8190 1 20 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.178 0.362 18088
8191 1 20 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.394 -0.484 18088
8192 1 20 . 1 1 13 13 ASN H H 13 8.700 8.700 7.761 0.939 18088
8193 1 20 . 1 1 14 14 VAL N N 14 122.040 122.040 120.038 2.002 18088
8194 1 20 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.756 0.124 18088
8195 1 20 . 1 1 14 14 VAL CA C 14 66.510 66.510 65.421 1.089 18088
8196 1 20 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.119 0.702 18088
8197 1 20 . 1 1 14 14 VAL H H 14 8.900 8.900 7.456 1.444 18088
8198 1 20 . 1 1 15 15 PHE N N 15 120.410 120.410 120.545 -0.135 18088
8199 1 20 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.826 -0.246 18088
8200 1 20 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.472 0.908 18088
8201 1 20 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.220 0.210 18088
8202 1 20 . 1 1 15 15 PHE H H 15 7.490 7.490 7.398 0.092 18088
8203 1 20 . 1 1 16 16 HIS N N 16 118.200 118.200 117.356 0.844 18088
8204 1 20 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.325 0.895 18088
8205 1 20 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.588 -2.258 18088
8206 1 20 . 1 1 16 16 HIS CB C 16 30.180 30.180 29.999 0.181 18088
8207 1 20 . 1 1 16 16 HIS H H 16 9.280 9.280 8.121 1.159 18088
8208 1 20 . 1 1 17 17 ALA N N 17 121.060 121.060 124.264 -3.204 18088
8209 1 20 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.837 -0.007 18088
8210 1 20 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.381 0.049 18088
8211 1 20 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.512 -0.981 18088
8212 1 20 . 1 1 17 17 ALA H H 17 8.180 8.180 7.850 0.330 18088
8213 1 20 . 1 1 18 18 HIS N N 18 112.580 112.580 116.058 -3.478 18088
8214 1 20 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.674 -0.294 18088
8215 1 20 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.939 1.491 18088
8216 1 20 . 1 1 18 18 HIS CB C 18 30.950 30.950 29.375 1.575 18088
8217 1 20 . 1 1 18 18 HIS H H 18 7.410 7.410 7.673 -0.263 18088
8218 1 20 . 1 1 19 19 SER HA H 19 4.100 4.100 4.080 0.020 18088
8219 1 20 . 1 1 19 19 SER CA C 19 60.250 60.250 59.414 0.836 18088
8220 1 20 . 1 1 19 19 SER CB C 19 61.700 61.700 64.342 -2.642 18088
8221 1 20 . 1 1 20 20 GLY N N 20 106.830 106.830 115.518 -8.688 18088
8222 1 20 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.347 -0.197 18088
8223 1 20 . 1 1 20 20 GLY H H 20 8.260 8.260 8.268 -0.008 18088
8224 1 20 . 1 1 21 21 LYS N N 21 120.310 120.310 122.744 -2.434 18088
8225 1 20 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.387 -0.417 18088
8226 1 20 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.461 2.039 18088
8227 1 20 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.919 -0.219 18088
8228 1 20 . 1 1 21 21 LYS H H 21 7.670 7.670 8.190 -0.520 18088
8229 1 20 . 1 1 22 22 GLU N N 22 117.240 117.240 121.102 -3.862 18088
8230 1 20 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.232 0.198 18088
8231 1 20 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.699 -2.379 18088
8232 1 20 . 1 1 22 22 GLU CB C 22 31.150 31.150 30.422 0.727 18088
8233 1 20 . 1 1 22 22 GLU H H 22 7.870 7.870 8.653 -0.783 18088
8234 1 20 . 1 1 23 23 GLY N N 23 107.910 107.910 107.192 0.718 18088
8235 1 20 . 1 1 23 23 GLY CA C 23 45.860 45.860 44.819 1.041 18088
8236 1 20 . 1 1 23 23 GLY H H 23 8.110 8.110 8.519 -0.409 18088
8237 1 20 . 1 1 24 24 ASP N N 24 122.900 122.900 121.484 1.416 18088
8238 1 20 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.977 -0.427 18088
8239 1 20 . 1 1 24 24 ASP CA C 24 53.490 53.490 52.336 1.154 18088
8240 1 20 . 1 1 24 24 ASP CB C 24 42.360 42.360 40.765 1.595 18088
8241 1 20 . 1 1 24 24 ASP H H 24 8.180 8.180 7.990 0.190 18088
8242 1 20 . 1 1 25 25 LYS N N 25 124.810 124.810 123.640 1.170 18088
8243 1 20 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.132 -0.042 18088
8244 1 20 . 1 1 25 25 LYS CA C 25 57.380 57.380 59.044 -1.664 18088
8245 1 20 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.661 -0.711 18088
8246 1 20 . 1 1 25 25 LYS H H 25 8.440 8.440 8.893 -0.453 18088
8247 1 20 . 1 1 26 26 TYR N N 26 117.200 117.200 116.119 1.081 18088
8248 1 20 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.413 0.707 18088
8249 1 20 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.928 -2.578 18088
8250 1 20 . 1 1 26 26 TYR CB C 26 37.670 37.670 37.893 -0.223 18088
8251 1 20 . 1 1 26 26 TYR H H 26 8.490 8.490 8.454 0.036 18088
8252 1 20 . 1 1 27 27 LYS N N 27 118.320 118.320 115.946 2.374 18088
8253 1 20 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.971 0.509 18088
8254 1 20 . 1 1 27 27 LYS CA C 27 53.760 53.760 53.954 -0.194 18088
8255 1 20 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.782 0.638 18088
8256 1 20 . 1 1 27 27 LYS H H 27 7.870 7.870 7.686 0.184 18088
8257 1 20 . 1 1 28 28 LEU N N 28 121.530 121.530 120.977 0.553 18088
8258 1 20 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.674 0.046 18088
8259 1 20 . 1 1 28 28 LEU CA C 28 52.720 52.720 54.079 -1.359 18088
8260 1 20 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.584 0.796 18088
8261 1 20 . 1 1 28 28 LEU H H 28 8.840 8.840 8.088 0.752 18088
8262 1 20 . 1 1 29 29 SER N N 29 120.620 120.620 115.966 4.654 18088
8263 1 20 . 1 1 29 29 SER HA H 29 5.040 5.040 4.555 0.485 18088
8264 1 20 . 1 1 29 29 SER CA C 29 57.850 57.850 59.287 -1.437 18088
8265 1 20 . 1 1 29 29 SER CB C 29 64.240 64.240 64.269 -0.029 18088
8266 1 20 . 1 1 29 29 SER H H 29 8.940 8.940 8.606 0.334 18088
8267 1 20 . 1 1 30 30 LYS N N 30 124.390 124.390 122.847 1.543 18088
8268 1 20 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.151 -0.291 18088
8269 1 20 . 1 1 30 30 LYS CA C 30 61.460 61.460 60.160 1.300 18088
8270 1 20 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.672 -0.852 18088
8271 1 20 . 1 1 30 30 LYS H H 30 8.810 8.810 8.829 -0.019 18088
8272 1 20 . 1 1 31 31 LYS N N 31 120.250 120.250 119.172 1.078 18088
8273 1 20 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.892 0.278 18088
8274 1 20 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.951 -0.661 18088
8275 1 20 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.743 0.727 18088
8276 1 20 . 1 1 31 31 LYS H H 31 8.740 8.740 7.566 1.174 18088
8277 1 20 . 1 1 32 32 GLU N N 32 121.570 121.570 118.876 2.694 18088
8278 1 20 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.135 -0.055 18088
8279 1 20 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.440 -0.160 18088
8280 1 20 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.984 0.256 18088
8281 1 20 . 1 1 32 32 GLU H H 32 7.790 7.790 8.551 -0.761 18088
8282 1 20 . 1 1 33 33 LEU N N 33 121.720 121.720 121.664 0.056 18088
8283 1 20 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.126 -0.126 18088
8284 1 20 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.309 -0.119 18088
8285 1 20 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.054 -1.574 18088
8286 1 20 . 1 1 33 33 LEU H H 33 8.890 8.890 8.160 0.730 18088
8287 1 20 . 1 1 34 34 LYS N N 34 120.420 120.420 119.597 0.823 18088
8288 1 20 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.821 -0.201 18088
8289 1 20 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.657 0.183 18088
8290 1 20 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.058 -0.308 18088
8291 1 20 . 1 1 34 34 LYS H H 34 8.420 8.420 8.286 0.134 18088
8292 1 20 . 1 1 35 35 GLU N N 35 117.260 117.260 118.722 -1.462 18088
8293 1 20 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.027 0.043 18088
8294 1 20 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.962 0.288 18088
8295 1 20 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.701 -0.651 18088
8296 1 20 . 1 1 35 35 GLU H H 35 7.220 7.220 7.519 -0.299 18088
8297 1 20 . 1 1 36 36 LEU N N 36 122.740 122.740 121.235 1.505 18088
8298 1 20 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.795 -0.065 18088
8299 1 20 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.174 1.046 18088
8300 1 20 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.382 0.818 18088
8301 1 20 . 1 1 36 36 LEU H H 36 8.330 8.330 7.487 0.843 18088
8302 1 20 . 1 1 37 37 LEU N N 37 120.360 120.360 115.082 5.278 18088
8303 1 20 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.257 -0.577 18088
8304 1 20 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.830 0.440 18088
8305 1 20 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.269 0.231 18088
8306 1 20 . 1 1 37 37 LEU H H 37 8.790 8.790 7.581 1.209 18088
8307 1 20 . 1 1 38 38 GLN N N 38 113.560 113.560 118.308 -4.748 18088
8308 1 20 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.037 -0.317 18088
8309 1 20 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.471 0.209 18088
8310 1 20 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.418 0.342 18088
8311 1 20 . 1 1 38 38 GLN H H 38 8.100 8.100 8.269 -0.169 18088
8312 1 20 . 1 1 39 39 THR N N 39 109.810 109.810 115.347 -5.537 18088
8313 1 20 . 1 1 39 39 THR HA H 39 4.280 4.280 4.183 0.097 18088
8314 1 20 . 1 1 39 39 THR CA C 39 64.510 64.510 65.686 -1.176 18088
8315 1 20 . 1 1 39 39 THR CB C 39 69.740 69.740 68.913 0.827 18088
8316 1 20 . 1 1 39 39 THR H H 39 7.690 7.690 7.921 -0.231 18088
8317 1 20 . 1 1 40 40 GLU N N 40 118.480 118.480 121.120 -2.640 18088
8318 1 20 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.277 0.453 18088
8319 1 20 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.344 -1.654 18088
8320 1 20 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.979 0.111 18088
8321 1 20 . 1 1 40 40 GLU H H 40 9.000 9.000 7.737 1.263 18088
8322 1 20 . 1 1 41 41 LEU N N 41 120.000 120.000 120.788 -0.788 18088
8323 1 20 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.603 0.547 18088
8324 1 20 . 1 1 41 41 LEU CA C 41 53.240 53.240 54.152 -0.912 18088
8325 1 20 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.750 0.500 18088
8326 1 20 . 1 1 41 41 LEU H H 41 7.890 7.890 8.287 -0.397 18088
8327 1 20 . 1 1 42 42 SER N N 42 112.560 112.560 116.484 -3.924 18088
8328 1 20 . 1 1 42 42 SER HA H 42 3.840 3.840 4.427 -0.587 18088
8329 1 20 . 1 1 42 42 SER CA C 42 61.610 61.610 59.519 2.091 18088
8330 1 20 . 1 1 42 42 SER CB C 42 62.780 62.780 62.746 0.034 18088
8331 1 20 . 1 1 42 42 SER H H 42 6.890 6.890 7.800 -0.910 18088
8332 1 20 . 1 1 43 43 GLY N N 43 114.540 114.540 109.395 5.145 18088
8333 1 20 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.343 -0.683 18088
8334 1 20 . 1 1 43 43 GLY H H 43 9.310 9.310 7.808 1.502 18088
8335 1 20 . 1 1 44 44 PHE N N 44 125.000 125.000 118.980 6.020 18088
8336 1 20 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.477 0.103 18088
8337 1 20 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.468 -1.857 18088
8338 1 20 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.776 -2.316 18088
8339 1 20 . 1 1 44 44 PHE H H 44 8.400 8.400 7.470 0.930 18088
8340 1 20 . 1 1 45 45 LEU N N 45 116.880 116.880 120.763 -3.883 18088
8341 1 20 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.004 -0.494 18088
8342 1 20 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.316 -0.076 18088
8343 1 20 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.881 -0.361 18088
8344 1 20 . 1 1 45 45 LEU H H 45 8.550 8.550 7.868 0.682 18088
8345 1 20 . 1 1 46 46 ASP N N 46 119.260 119.260 120.095 -0.835 18088
8346 1 20 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.421 0.299 18088
8347 1 20 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.661 -1.531 18088
8348 1 20 . 1 1 46 46 ASP CB C 46 41.460 41.460 41.260 0.200 18088
8349 1 20 . 1 1 46 46 ASP H H 46 7.460 7.460 7.917 -0.457 18088
8350 1 20 . 1 1 47 47 ALA N N 47 124.850 124.850 121.087 3.763 18088
8351 1 20 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.327 0.213 18088
8352 1 20 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.904 -1.214 18088
8353 1 20 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.794 0.996 18088
8354 1 20 . 1 1 47 47 ALA H H 47 7.620 7.620 7.503 0.117 18088
8355 1 20 . 1 1 48 48 GLN N N 48 116.830 116.830 117.288 -0.458 18088
8356 1 20 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.132 -0.332 18088
8357 1 20 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.798 0.352 18088
8358 1 20 . 1 1 48 48 GLN CB C 48 29.810 29.810 29.022 0.788 18088
8359 1 20 . 1 1 48 48 GLN H H 48 7.740 7.740 7.265 0.475 18088
8360 1 20 . 1 1 49 49 LYS N N 49 121.570 121.570 121.981 -0.411 18088
8361 1 20 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.495 -0.375 18088
8362 1 20 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.892 -1.062 18088
8363 1 20 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.764 -3.714 18088
8364 1 20 . 1 1 49 49 LYS H H 49 7.790 7.790 8.407 -0.617 18088
8365 1 20 . 1 1 50 50 ASP N N 50 118.910 118.910 123.128 -4.218 18088
8366 1 20 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.685 0.005 18088
8367 1 20 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.719 -1.889 18088
8368 1 20 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.198 0.752 18088
8369 1 20 . 1 1 50 50 ASP H H 50 7.480 7.480 8.153 -0.673 18088
8370 1 20 . 1 1 51 51 VAL N N 51 122.060 122.060 122.268 -0.208 18088
8371 1 20 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.616 0.284 18088
8372 1 20 . 1 1 51 51 VAL CA C 51 64.730 64.730 64.962 -0.231 18088
8373 1 20 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.640 0.310 18088
8374 1 20 . 1 1 51 51 VAL H H 51 7.820 7.820 8.832 -1.012 18088
8375 1 20 . 1 1 52 52 ASP N N 52 120.090 120.090 120.384 -0.294 18088
8376 1 20 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.511 -0.131 18088
8377 1 20 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.019 0.241 18088
8378 1 20 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.297 0.283 18088
8379 1 20 . 1 1 52 52 ASP H H 52 8.190 8.190 7.830 0.360 18088
8380 1 20 . 1 1 53 53 ALA N N 53 122.110 122.110 123.114 -1.004 18088
8381 1 20 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.321 -0.281 18088
8382 1 20 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.905 -0.305 18088
8383 1 20 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.542 0.138 18088
8384 1 20 . 1 1 53 53 ALA H H 53 7.620 7.620 8.171 -0.551 18088
8385 1 20 . 1 1 54 54 VAL N N 54 118.070 118.070 117.873 0.197 18088
8386 1 20 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.589 -0.169 18088
8387 1 20 . 1 1 54 54 VAL CA C 54 66.340 66.340 65.938 0.402 18088
8388 1 20 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.656 0.354 18088
8389 1 20 . 1 1 54 54 VAL H H 54 7.380 7.380 7.775 -0.395 18088
8390 1 20 . 1 1 55 55 ASP N N 55 119.590 119.590 119.031 0.559 18088
8391 1 20 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.507 -0.197 18088
8392 1 20 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.772 0.598 18088
8393 1 20 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.805 0.155 18088
8394 1 20 . 1 1 55 55 ASP H H 55 8.500 8.500 7.639 0.861 18088
8395 1 20 . 1 1 56 56 LYS N N 56 118.010 118.010 120.671 -2.661 18088
8396 1 20 . 1 1 56 56 LYS HA H 56 3.940 3.940 3.960 -0.020 18088
8397 1 20 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.396 0.364 18088
8398 1 20 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.518 -0.008 18088
8399 1 20 . 1 1 56 56 LYS H H 56 7.970 7.970 7.702 0.268 18088
8400 1 20 . 1 1 57 57 VAL N N 57 119.390 119.390 119.052 0.338 18088
8401 1 20 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.728 -0.018 18088
8402 1 20 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.801 0.239 18088
8403 1 20 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.965 0.135 18088
8404 1 20 . 1 1 57 57 VAL H H 57 7.310 7.310 8.175 -0.865 18088
8405 1 20 . 1 1 58 58 MET N N 58 116.040 116.040 117.775 -1.735 18088
8406 1 20 . 1 1 58 58 MET HA H 58 4.120 4.120 3.996 0.124 18088
8407 1 20 . 1 1 58 58 MET CA C 58 57.430 57.430 58.860 -1.430 18088
8408 1 20 . 1 1 58 58 MET CB C 58 31.260 31.260 32.131 -0.871 18088
8409 1 20 . 1 1 58 58 MET H H 58 8.370 8.370 7.603 0.767 18088
8410 1 20 . 1 1 59 59 LYS N N 59 118.900 118.900 119.858 -0.958 18088
8411 1 20 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.006 0.064 18088
8412 1 20 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.980 -0.850 18088
8413 1 20 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.347 0.043 18088
8414 1 20 . 1 1 59 59 LYS H H 59 8.600 8.600 8.163 0.437 18088
8415 1 20 . 1 1 60 60 GLU N N 60 119.880 119.880 119.505 0.375 18088
8416 1 20 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.036 0.004 18088
8417 1 20 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.157 0.373 18088
8418 1 20 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.005 -0.455 18088
8419 1 20 . 1 1 60 60 GLU H H 60 7.430 7.430 7.835 -0.405 18088
8420 1 20 . 1 1 61 61 LEU N N 61 116.900 116.900 118.053 -1.153 18088
8421 1 20 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.136 -0.196 18088
8422 1 20 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.618 -0.408 18088
8423 1 20 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.526 -0.996 18088
8424 1 20 . 1 1 61 61 LEU H H 61 7.600 7.600 7.450 0.150 18088
8425 1 20 . 1 1 62 62 ASP N N 62 115.990 115.990 118.892 -2.902 18088
8426 1 20 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.405 0.065 18088
8427 1 20 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.029 -0.909 18088
8428 1 20 . 1 1 62 62 ASP CB C 62 41.530 41.530 41.403 0.127 18088
8429 1 20 . 1 1 62 62 ASP H H 62 7.590 7.590 7.757 -0.167 18088
8430 1 20 . 1 1 63 63 GLU N N 63 118.920 118.920 117.968 0.952 18088
8431 1 20 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.316 -0.206 18088
8432 1 20 . 1 1 63 63 GLU CA C 63 58.030 58.030 57.893 0.137 18088
8433 1 20 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.924 0.076 18088
8434 1 20 . 1 1 63 63 GLU H H 63 8.120 8.120 7.822 0.298 18088
8435 1 20 . 1 1 64 64 ASN N N 64 117.750 117.750 118.823 -1.073 18088
8436 1 20 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.960 0.210 18088
8437 1 20 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.391 -0.521 18088
8438 1 20 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.489 0.121 18088
8439 1 20 . 1 1 64 64 ASN H H 64 7.730 7.730 8.060 -0.330 18088
8440 1 20 . 1 1 65 65 GLY N N 65 107.100 107.100 108.337 -1.237 18088
8441 1 20 . 1 1 65 65 GLY CA C 65 47.880 47.880 45.888 1.992 18088
8442 1 20 . 1 1 65 65 GLY H H 65 7.750 7.750 7.794 -0.044 18088
8443 1 20 . 1 1 66 66 ASP N N 66 115.630 115.630 120.315 -4.685 18088
8444 1 20 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.786 0.044 18088
8445 1 20 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.954 0.096 18088
8446 1 20 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.665 -0.105 18088
8447 1 20 . 1 1 66 66 ASP H H 66 8.320 8.320 7.924 0.396 18088
8448 1 20 . 1 1 67 67 GLY N N 67 109.240 109.240 109.016 0.224 18088
8449 1 20 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.873 -0.083 18088
8450 1 20 . 1 1 67 67 GLY H H 67 8.260 8.260 7.706 0.554 18088
8451 1 20 . 1 1 68 68 GLU N N 68 117.540 117.540 118.062 -0.522 18088
8452 1 20 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.682 0.568 18088
8453 1 20 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.558 -0.588 18088
8454 1 20 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.517 0.373 18088
8455 1 20 . 1 1 68 68 GLU H H 68 8.500 8.500 8.222 0.278 18088
8456 1 20 . 1 1 69 69 VAL N N 69 115.550 115.550 117.438 -1.888 18088
8457 1 20 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.571 0.389 18088
8458 1 20 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.761 -0.691 18088
8459 1 20 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.196 -0.186 18088
8460 1 20 . 1 1 69 69 VAL H H 69 9.190 9.190 8.437 0.753 18088
8461 1 20 . 1 1 70 70 ASP N N 70 121.130 121.130 119.652 1.478 18088
8462 1 20 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.001 0.559 18088
8463 1 20 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.937 -1.937 18088
8464 1 20 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.036 0.634 18088
8465 1 20 . 1 1 70 70 ASP H H 70 8.320 8.320 8.193 0.127 18088
8466 1 20 . 1 1 71 71 PHE N N 71 119.290 119.290 120.207 -0.917 18088
8467 1 20 . 1 1 71 71 PHE HA H 71 3.470 3.470 3.992 -0.522 18088
8468 1 20 . 1 1 71 71 PHE CA C 71 61.460 61.460 61.675 -0.215 18088
8469 1 20 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.252 0.978 18088
8470 1 20 . 1 1 71 71 PHE H H 71 9.480 9.480 8.460 1.020 18088
8471 1 20 . 1 1 72 72 GLN N N 72 116.810 116.810 118.466 -1.656 18088
8472 1 20 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.809 -0.399 18088
8473 1 20 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.500 1.150 18088
8474 1 20 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.180 0.550 18088
8475 1 20 . 1 1 72 72 GLN H H 72 8.140 8.140 8.625 -0.485 18088
8476 1 20 . 1 1 73 73 GLU N N 73 119.590 119.590 118.896 0.694 18088
8477 1 20 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.048 -0.088 18088
8478 1 20 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.838 0.292 18088
8479 1 20 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.321 0.869 18088
8480 1 20 . 1 1 73 73 GLU H H 73 8.260 8.260 8.867 -0.607 18088
8481 1 20 . 1 1 74 74 TYR N N 74 122.520 122.520 122.270 0.250 18088
8482 1 20 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.102 0.228 18088
8483 1 20 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.199 -1.079 18088
8484 1 20 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.389 -1.679 18088
8485 1 20 . 1 1 74 74 TYR H H 74 8.240 8.240 8.170 0.070 18088
8486 1 20 . 1 1 75 75 VAL N N 75 120.300 120.300 116.952 3.348 18088
8487 1 20 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.189 -0.539 18088
8488 1 20 . 1 1 75 75 VAL CA C 75 66.880 66.880 65.916 0.964 18088
8489 1 20 . 1 1 75 75 VAL CB C 75 30.430 30.430 30.477 -0.047 18088
8490 1 20 . 1 1 75 75 VAL H H 75 7.980 7.980 7.918 0.062 18088
8491 1 20 . 1 1 76 76 VAL N N 76 119.180 119.180 119.256 -0.076 18088
8492 1 20 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.651 -0.321 18088
8493 1 20 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.050 0.600 18088
8494 1 20 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.120 0.470 18088
8495 1 20 . 1 1 76 76 VAL H H 76 7.560 7.560 8.217 -0.657 18088
8496 1 20 . 1 1 77 77 LEU N N 77 121.440 121.440 119.200 2.240 18088
8497 1 20 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.023 0.117 18088
8498 1 20 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.374 0.806 18088
8499 1 20 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.959 -0.009 18088
8500 1 20 . 1 1 77 77 LEU H H 77 7.740 7.740 7.069 0.671 18088
8501 1 20 . 1 1 78 78 VAL N N 78 119.220 119.220 116.096 3.124 18088
8502 1 20 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.423 0.017 18088
8503 1 20 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.782 1.348 18088
8504 1 20 . 1 1 78 78 VAL CB C 78 31.310 31.310 31.042 0.268 18088
8505 1 20 . 1 1 78 78 VAL H H 78 8.320 8.320 7.165 1.155 18088
8506 1 20 . 1 1 79 79 ALA N N 79 124.780 124.780 120.313 4.467 18088
8507 1 20 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.090 -0.080 18088
8508 1 20 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.866 1.994 18088
8509 1 20 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.242 -0.283 18088
8510 1 20 . 1 1 79 79 ALA H H 79 9.000 9.000 7.863 1.137 18088
8511 1 20 . 1 1 80 80 ALA N N 80 121.760 121.760 121.234 0.526 18088
8512 1 20 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.966 -0.046 18088
8513 1 20 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.489 0.681 18088
8514 1 20 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.147 -0.667 18088
8515 1 20 . 1 1 80 80 ALA H H 80 8.240 8.240 7.401 0.839 18088
8516 1 20 . 1 1 81 81 LEU N N 81 118.310 118.310 117.656 0.654 18088
8517 1 20 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.052 -0.402 18088
8518 1 20 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.266 0.044 18088
8519 1 20 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.910 -1.260 18088
8520 1 20 . 1 1 81 81 LEU H H 81 7.920 7.920 7.369 0.551 18088
8521 1 20 . 1 1 82 82 THR N N 82 116.240 116.240 115.941 0.299 18088
8522 1 20 . 1 1 82 82 THR HA H 82 3.710 3.710 3.941 -0.231 18088
8523 1 20 . 1 1 82 82 THR CA C 82 68.770 68.770 66.546 2.224 18088
8524 1 20 . 1 1 82 82 THR CB C 82 67.420 67.420 68.404 -0.984 18088
8525 1 20 . 1 1 82 82 THR H H 82 8.120 8.120 7.549 0.571 18088
8526 1 20 . 1 1 83 83 VAL N N 83 120.000 120.000 111.998 8.002 18088
8527 1 20 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.627 -0.597 18088
8528 1 20 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.580 3.370 18088
8529 1 20 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.244 -0.394 18088
8530 1 20 . 1 1 83 83 VAL H H 83 7.780 7.780 7.237 0.543 18088
8531 1 20 . 1 1 87 87 ASN N N 87 124.810 124.810 117.820 6.990 18088
8532 1 20 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.281 -0.051 18088
8533 1 20 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.170 1.860 18088
8534 1 20 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.209 0.061 18088
8535 1 20 . 1 1 87 87 ASN H H 87 9.130 9.130 7.912 1.218 18088
8536 1 20 . 1 1 88 88 PHE N N 88 120.680 120.680 116.134 4.546 18088
8537 1 20 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.266 -0.176 18088
8538 1 20 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.794 1.036 18088
8539 1 20 . 1 1 88 88 PHE CB C 88 39.310 39.310 39.092 0.218 18088
8540 1 20 . 1 1 88 88 PHE H H 88 8.650 8.650 7.786 0.864 18088
8541 1 20 . 1 1 89 89 PHE N N 89 112.580 112.580 115.316 -2.736 18088
8542 1 20 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.712 -0.912 18088
8543 1 20 . 1 1 89 89 PHE CA C 89 58.910 58.910 58.183 0.727 18088
8544 1 20 . 1 1 89 89 PHE CB C 89 38.880 38.880 41.253 -2.373 18088
8545 1 20 . 1 1 89 89 PHE H H 89 7.410 7.410 7.682 -0.272 18088
8546 1 20 . 1 1 90 90 TRP N N 90 118.690 118.690 122.434 -3.744 18088
8547 1 20 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.712 -0.122 18088
8548 1 20 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.422 -0.122 18088
8549 1 20 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.582 3.598 18088
8550 1 20 . 1 1 90 90 TRP H H 90 7.370 7.370 8.426 -1.056 18088
8551 1 20 . 1 1 91 91 GLU N N 91 121.380 121.380 120.073 1.307 18088
8552 1 20 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.408 -0.068 18088
8553 1 20 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.245 0.225 18088
8554 1 20 . 1 1 91 91 GLU CB C 91 30.430 30.430 31.099 -0.669 18088
8555 1 20 . 1 1 91 91 GLU H H 91 7.820 7.820 8.303 -0.483 18088
8556 1 20 . 1 1 92 92 ASN N N 92 120.640 120.640 124.112 -3.472 18088
8557 1 20 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.735 0.065 18088
8558 1 20 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.853 -0.313 18088
8559 1 20 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.986 -0.006 18088
8560 1 20 . 1 1 92 92 ASN H H 92 8.560 8.560 8.599 -0.039 18088
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 87 2.880 -0.344 2.876 18088
2 1 1 "Average Difference" HA 93 0.347 0.006 0.348 18088
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18088
4 1 1 "Average Difference" CA 88 1.186 -0.009 1.193 18088
5 1 1 "Average Difference" CB 83 1.031 0.078 1.035 18088
6 1 1 "Average Difference" HN 87 0.717 -0.252 0.675 18088
7 1 2 "Average Difference" N 87 2.842 -0.229 2.849 18088
8 1 2 "Average Difference" HA 93 0.332 0.017 0.334 18088
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18088
10 1 2 "Average Difference" CA 88 1.164 -0.024 1.170 18088
11 1 2 "Average Difference" CB 83 0.920 0.077 0.923 18088
12 1 2 "Average Difference" HN 87 0.676 -0.246 0.633 18088
13 1 3 "Average Difference" N 87 2.799 -0.259 2.804 18088
14 1 3 "Average Difference" HA 93 0.340 0.017 0.342 18088
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18088
16 1 3 "Average Difference" CA 88 1.175 -0.069 1.180 18088
17 1 3 "Average Difference" CB 83 0.935 0.019 0.940 18088
18 1 3 "Average Difference" HN 87 0.657 -0.226 0.621 18088
19 1 4 "Average Difference" N 87 3.040 -0.154 3.054 18088
20 1 4 "Average Difference" HA 93 0.336 0.018 0.338 18088
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18088
22 1 4 "Average Difference" CA 88 1.192 -0.060 1.198 18088
23 1 4 "Average Difference" CB 83 1.027 -0.019 1.033 18088
24 1 4 "Average Difference" HN 87 0.667 -0.225 0.632 18088
25 1 5 "Average Difference" N 87 2.942 -0.258 2.948 18088
26 1 5 "Average Difference" HA 93 0.339 0.008 0.340 18088
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18088
28 1 5 "Average Difference" CA 88 1.140 -0.061 1.145 18088
29 1 5 "Average Difference" CB 83 0.985 0.070 0.988 18088
30 1 5 "Average Difference" HN 87 0.690 -0.251 0.646 18088
31 1 6 "Average Difference" N 87 2.919 -0.142 2.932 18088
32 1 6 "Average Difference" HA 93 0.341 0.015 0.343 18088
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18088
34 1 6 "Average Difference" CA 88 1.282 -0.053 1.289 18088
35 1 6 "Average Difference" CB 83 0.967 -0.009 0.973 18088
36 1 6 "Average Difference" HN 87 0.664 -0.201 0.636 18088
37 1 7 "Average Difference" N 87 2.839 -0.240 2.845 18088
38 1 7 "Average Difference" HA 93 0.337 0.024 0.338 18088
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18088
40 1 7 "Average Difference" CA 88 1.174 -0.109 1.175 18088
41 1 7 "Average Difference" CB 83 0.950 0.057 0.954 18088
42 1 7 "Average Difference" HN 87 0.673 -0.307 0.602 18088
43 1 8 "Average Difference" N 87 2.951 -0.217 2.960 18088
44 1 8 "Average Difference" HA 93 0.337 0.024 0.338 18088
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18088
46 1 8 "Average Difference" CA 88 1.171 -0.071 1.176 18088
47 1 8 "Average Difference" CB 83 1.012 0.118 1.011 18088
48 1 8 "Average Difference" HN 87 0.662 -0.230 0.624 18088
49 1 9 "Average Difference" N 87 2.897 -0.292 2.899 18088
50 1 9 "Average Difference" HA 93 0.333 0.015 0.334 18088
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18088
52 1 9 "Average Difference" CA 88 1.190 -0.077 1.194 18088
53 1 9 "Average Difference" CB 83 0.923 0.054 0.927 18088
54 1 9 "Average Difference" HN 87 0.686 -0.249 0.642 18088
55 1 10 "Average Difference" N 87 2.885 -0.100 2.900 18088
56 1 10 "Average Difference" HA 93 0.337 0.014 0.338 18088
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18088
58 1 10 "Average Difference" CA 88 1.191 -0.009 1.198 18088
59 1 10 "Average Difference" CB 83 1.044 0.078 1.048 18088
60 1 10 "Average Difference" HN 87 0.641 -0.190 0.616 18088
61 1 11 "Average Difference" N 87 2.884 -0.284 2.887 18088
62 1 11 "Average Difference" HA 93 0.351 -0.004 0.353 18088
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18088
64 1 11 "Average Difference" CA 88 1.246 -0.059 1.252 18088
65 1 11 "Average Difference" CB 83 1.001 0.069 1.005 18088
66 1 11 "Average Difference" HN 87 0.691 -0.307 0.623 18088
67 1 12 "Average Difference" N 87 2.916 -0.238 2.923 18088
68 1 12 "Average Difference" HA 93 0.333 0.017 0.334 18088
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18088
70 1 12 "Average Difference" CA 88 1.170 -0.126 1.170 18088
71 1 12 "Average Difference" CB 83 0.937 0.143 0.932 18088
72 1 12 "Average Difference" HN 87 0.686 -0.262 0.638 18088
73 1 13 "Average Difference" N 87 2.926 -0.145 2.939 18088
74 1 13 "Average Difference" HA 93 0.322 0.025 0.322 18088
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18088
76 1 13 "Average Difference" CA 88 1.084 -0.087 1.087 18088
77 1 13 "Average Difference" CB 83 0.975 0.035 0.980 18088
78 1 13 "Average Difference" HN 87 0.666 -0.196 0.640 18088
79 1 14 "Average Difference" N 87 2.783 -0.152 2.795 18088
80 1 14 "Average Difference" HA 93 0.356 0.006 0.358 18088
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18088
82 1 14 "Average Difference" CA 88 1.220 -0.078 1.224 18088
83 1 14 "Average Difference" CB 83 1.011 0.078 1.014 18088
84 1 14 "Average Difference" HN 87 0.678 -0.290 0.616 18088
85 1 15 "Average Difference" N 87 2.827 -0.133 2.841 18088
86 1 15 "Average Difference" HA 93 0.334 0.009 0.336 18088
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18088
88 1 15 "Average Difference" CA 88 1.150 -0.064 1.155 18088
89 1 15 "Average Difference" CB 83 0.966 0.042 0.971 18088
90 1 15 "Average Difference" HN 87 0.713 -0.235 0.677 18088
91 1 16 "Average Difference" N 87 2.944 -0.165 2.956 18088
92 1 16 "Average Difference" HA 93 0.340 0.027 0.341 18088
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18088
94 1 16 "Average Difference" CA 88 1.166 -0.093 1.169 18088
95 1 16 "Average Difference" CB 83 1.035 0.031 1.041 18088
96 1 16 "Average Difference" HN 87 0.693 -0.253 0.649 18088
97 1 17 "Average Difference" N 87 2.838 -0.179 2.848 18088
98 1 17 "Average Difference" HA 93 0.351 0.018 0.352 18088
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18088
100 1 17 "Average Difference" CA 88 1.165 -0.040 1.171 18088
101 1 17 "Average Difference" CB 83 0.999 0.058 1.004 18088
102 1 17 "Average Difference" HN 87 0.672 -0.263 0.622 18088
103 1 18 "Average Difference" N 87 2.916 -0.268 2.920 18088
104 1 18 "Average Difference" HA 93 0.346 0.003 0.348 18088
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18088
106 1 18 "Average Difference" CA 88 1.157 -0.030 1.163 18088
107 1 18 "Average Difference" CB 83 0.981 0.093 0.982 18088
108 1 18 "Average Difference" HN 87 0.657 -0.242 0.614 18088
109 1 19 "Average Difference" N 87 2.850 -0.269 2.854 18088
110 1 19 "Average Difference" HA 93 0.342 0.004 0.344 18088
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18088
112 1 19 "Average Difference" CA 88 1.134 -0.092 1.137 18088
113 1 19 "Average Difference" CB 83 0.910 0.066 0.913 18088
114 1 19 "Average Difference" HN 87 0.663 -0.258 0.615 18088
115 1 20 "Average Difference" N 87 2.970 -0.205 2.980 18088
116 1 20 "Average Difference" HA 93 0.332 0.020 0.333 18088
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18088
118 1 20 "Average Difference" CA 88 1.166 -0.103 1.168 18088
119 1 20 "Average Difference" CB 83 0.997 0.062 1.001 18088
120 1 20 "Average Difference" HN 87 0.673 -0.237 0.633 18088
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 18088
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 SER N N 2 118.720 118.720 116.128 2.592 18088
2 1 . 1 1 2 2 SER HA H 2 4.690 4.690 4.571 0.119 18088
3 1 . 1 1 2 2 SER CA C 2 57.270 57.270 57.439 -0.169 18088
4 1 . 1 1 2 2 SER CB C 2 65.140 65.140 65.079 0.061 18088
5 1 . 1 1 2 2 SER H H 2 9.270 9.270 8.330 0.940 18088
6 1 . 1 1 3 3 GLU N N 3 122.920 122.920 122.765 0.155 18088
7 1 . 1 1 3 3 GLU HA H 3 4.120 4.120 4.089 0.031 18088
8 1 . 1 1 3 3 GLU CA C 3 60.490 60.490 59.465 1.025 18088
9 1 . 1 1 3 3 GLU CB C 3 28.970 28.970 29.529 -0.558 18088
10 1 . 1 1 3 3 GLU H H 3 9.260 9.260 8.938 0.322 18088
11 1 . 1 1 4 4 LEU N N 4 121.140 121.140 116.078 5.062 18088
12 1 . 1 1 4 4 LEU HA H 4 4.040 4.040 4.155 -0.115 18088
13 1 . 1 1 4 4 LEU CA C 4 58.060 58.060 57.835 0.225 18088
14 1 . 1 1 4 4 LEU CB C 4 42.190 42.190 41.181 1.009 18088
15 1 . 1 1 4 4 LEU H H 4 8.920 8.920 7.827 1.093 18088
16 1 . 1 1 5 5 GLU N N 5 118.710 118.710 119.941 -1.232 18088
17 1 . 1 1 5 5 GLU HA H 5 3.280 3.280 4.024 -0.744 18088
18 1 . 1 1 5 5 GLU CA C 5 59.670 59.670 59.419 0.251 18088
19 1 . 1 1 5 5 GLU CB C 5 29.150 29.150 29.431 -0.281 18088
20 1 . 1 1 5 5 GLU H H 5 7.880 7.880 7.772 0.108 18088
21 1 . 1 1 6 6 THR N N 6 116.050 116.050 116.142 -0.092 18088
22 1 . 1 1 6 6 THR HA H 6 4.020 4.020 4.043 -0.023 18088
23 1 . 1 1 6 6 THR CA C 6 66.580 66.580 66.165 0.415 18088
24 1 . 1 1 6 6 THR CB C 6 68.620 68.620 68.604 0.016 18088
25 1 . 1 1 6 6 THR H H 6 8.440 8.440 7.683 0.757 18088
26 1 . 1 1 7 7 ALA N N 7 125.840 125.840 125.181 0.659 18088
27 1 . 1 1 7 7 ALA HA H 7 4.280 4.280 4.044 0.236 18088
28 1 . 1 1 7 7 ALA CA C 7 55.600 55.600 55.087 0.513 18088
29 1 . 1 1 7 7 ALA CB C 7 18.070 18.070 18.301 -0.231 18088
30 1 . 1 1 7 7 ALA H H 7 8.320 8.320 7.784 0.536 18088
31 1 . 1 1 8 8 MET N N 8 115.330 115.330 117.140 -1.810 18088
32 1 . 1 1 8 8 MET HA H 8 4.860 4.860 4.159 0.701 18088
33 1 . 1 1 8 8 MET CA C 8 56.510 56.510 57.347 -0.837 18088
34 1 . 1 1 8 8 MET CB C 8 28.930 28.930 30.955 -2.025 18088
35 1 . 1 1 8 8 MET H H 8 8.150 8.150 7.757 0.393 18088
36 1 . 1 1 9 9 GLU N N 9 120.410 120.410 118.797 1.613 18088
37 1 . 1 1 9 9 GLU HA H 9 4.160 4.160 4.019 0.141 18088
38 1 . 1 1 9 9 GLU CA C 9 59.950 59.950 59.620 0.330 18088
39 1 . 1 1 9 9 GLU CB C 9 28.820 28.820 29.592 -0.772 18088
40 1 . 1 1 9 9 GLU H H 9 8.760 8.760 7.799 0.961 18088
41 1 . 1 1 10 10 THR N N 10 118.820 118.820 112.887 5.933 18088
42 1 . 1 1 10 10 THR HA H 10 4.130 4.130 4.309 -0.179 18088
43 1 . 1 1 10 10 THR CA C 10 67.180 67.180 65.408 1.772 18088
44 1 . 1 1 10 10 THR CB C 10 67.770 67.770 68.883 -1.113 18088
45 1 . 1 1 10 10 THR H H 10 8.510 8.510 8.019 0.491 18088
46 1 . 1 1 11 11 LEU N N 11 121.840 121.840 122.602 -0.762 18088
47 1 . 1 1 11 11 LEU HA H 11 4.080 4.080 4.317 -0.237 18088
48 1 . 1 1 11 11 LEU CA C 11 60.250 60.250 58.015 2.235 18088
49 1 . 1 1 11 11 LEU CB C 11 41.900 41.900 41.103 0.797 18088
50 1 . 1 1 11 11 LEU H H 11 8.380 8.380 7.566 0.814 18088
51 1 . 1 1 12 12 ILE N N 12 121.310 121.310 118.728 2.582 18088
52 1 . 1 1 12 12 ILE HA H 12 3.540 3.540 3.680 -0.140 18088
53 1 . 1 1 12 12 ILE CA C 12 66.120 66.120 65.518 0.603 18088
54 1 . 1 1 12 12 ILE CB C 12 38.340 38.340 37.170 1.170 18088
55 1 . 1 1 12 12 ILE H H 12 8.520 8.520 7.793 0.727 18088
56 1 . 1 1 13 13 ASN N N 13 120.570 120.570 118.376 2.194 18088
57 1 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.434 -0.064 18088
58 1 . 1 1 13 13 ASN CA C 13 56.540 56.540 56.155 0.385 18088
59 1 . 1 1 13 13 ASN CB C 13 37.910 37.910 38.367 -0.457 18088
60 1 . 1 1 13 13 ASN H H 13 8.700 8.700 7.684 1.016 18088
61 1 . 1 1 14 14 VAL N N 14 122.040 122.040 119.649 2.391 18088
62 1 . 1 1 14 14 VAL HA H 14 3.880 3.880 3.716 0.164 18088
63 1 . 1 1 14 14 VAL CA C 14 66.510 66.510 66.013 0.497 18088
64 1 . 1 1 14 14 VAL CB C 14 31.820 31.820 31.433 0.387 18088
65 1 . 1 1 14 14 VAL H H 14 8.900 8.900 7.498 1.402 18088
66 1 . 1 1 15 15 PHE N N 15 120.410 120.410 119.960 0.450 18088
67 1 . 1 1 15 15 PHE HA H 15 3.580 3.580 3.870 -0.290 18088
68 1 . 1 1 15 15 PHE CA C 15 62.380 62.380 61.246 1.134 18088
69 1 . 1 1 15 15 PHE CB C 15 39.430 39.430 39.160 0.271 18088
70 1 . 1 1 15 15 PHE H H 15 7.490 7.490 7.398 0.092 18088
71 1 . 1 1 16 16 HIS N N 16 118.200 118.200 117.956 0.244 18088
72 1 . 1 1 16 16 HIS HA H 16 5.220 5.220 4.331 0.889 18088
73 1 . 1 1 16 16 HIS CA C 16 55.330 55.330 57.776 -2.446 18088
74 1 . 1 1 16 16 HIS CB C 16 30.180 30.180 30.150 0.030 18088
75 1 . 1 1 16 16 HIS H H 16 9.280 9.280 8.167 1.113 18088
76 1 . 1 1 17 17 ALA N N 17 121.060 121.060 122.511 -1.451 18088
77 1 . 1 1 17 17 ALA HA H 17 3.830 3.830 3.951 -0.121 18088
78 1 . 1 1 17 17 ALA CA C 17 54.430 54.430 54.080 0.350 18088
79 1 . 1 1 17 17 ALA CB C 17 17.530 17.530 18.637 -1.107 18088
80 1 . 1 1 17 17 ALA H H 17 8.180 8.180 7.738 0.442 18088
81 1 . 1 1 18 18 HIS N N 18 112.580 112.580 114.605 -2.025 18088
82 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.640 -0.260 18088
83 1 . 1 1 18 18 HIS CA C 18 56.430 56.430 54.662 1.768 18088
84 1 . 1 1 18 18 HIS CB C 18 30.950 30.950 30.409 0.541 18088
85 1 . 1 1 18 18 HIS H H 18 7.410 7.410 7.532 -0.122 18088
86 1 . 1 1 19 19 SER HA H 19 4.100 4.100 4.022 0.078 18088
87 1 . 1 1 19 19 SER CA C 19 60.250 60.250 59.400 0.850 18088
88 1 . 1 1 19 19 SER CB C 19 61.700 61.700 63.591 -1.891 18088
89 1 . 1 1 20 20 GLY N N 20 106.830 106.830 113.739 -6.909 18088
90 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.341 -0.191 18088
91 1 . 1 1 20 20 GLY H H 20 8.260 8.260 8.332 -0.073 18088
92 1 . 1 1 21 21 LYS N N 21 120.310 120.310 123.162 -2.852 18088
93 1 . 1 1 21 21 LYS HA H 21 3.970 3.970 4.333 -0.363 18088
94 1 . 1 1 21 21 LYS CA C 21 58.500 58.500 56.733 1.767 18088
95 1 . 1 1 21 21 LYS CB C 21 32.700 32.700 32.681 0.019 18088
96 1 . 1 1 21 21 LYS H H 21 7.670 7.670 8.222 -0.552 18088
97 1 . 1 1 22 22 GLU N N 22 117.240 117.240 121.544 -4.304 18088
98 1 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.229 0.201 18088
99 1 . 1 1 22 22 GLU CA C 22 55.320 55.320 57.647 -2.326 18088
100 1 . 1 1 22 22 GLU CB C 22 31.150 31.150 29.977 1.173 18088
101 1 . 1 1 22 22 GLU H H 22 7.870 7.870 8.618 -0.748 18088
102 1 . 1 1 23 23 GLY N N 23 107.910 107.910 107.376 0.534 18088
103 1 . 1 1 23 23 GLY CA C 23 45.860 45.860 45.212 0.647 18088
104 1 . 1 1 23 23 GLY H H 23 8.110 8.110 8.397 -0.287 18088
105 1 . 1 1 24 24 ASP N N 24 122.900 122.900 121.583 1.317 18088
106 1 . 1 1 24 24 ASP HA H 24 4.550 4.550 4.957 -0.407 18088
107 1 . 1 1 24 24 ASP CA C 24 53.490 53.490 53.185 0.305 18088
108 1 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.578 0.782 18088
109 1 . 1 1 24 24 ASP H H 24 8.180 8.180 8.205 -0.025 18088
110 1 . 1 1 25 25 LYS N N 25 124.810 124.810 123.806 1.004 18088
111 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.199 -0.109 18088
112 1 . 1 1 25 25 LYS CA C 25 57.380 57.380 58.893 -1.513 18088
113 1 . 1 1 25 25 LYS CB C 25 31.950 31.950 32.714 -0.764 18088
114 1 . 1 1 25 25 LYS H H 25 8.440 8.440 8.719 -0.279 18088
115 1 . 1 1 26 26 TYR N N 26 117.200 117.200 115.694 1.506 18088
116 1 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.439 0.681 18088
117 1 . 1 1 26 26 TYR CA C 26 57.350 57.350 59.817 -2.467 18088
118 1 . 1 1 26 26 TYR CB C 26 37.670 37.670 38.214 -0.544 18088
119 1 . 1 1 26 26 TYR H H 26 8.490 8.490 8.458 0.032 18088
120 1 . 1 1 27 27 LYS N N 27 118.320 118.320 116.470 1.850 18088
121 1 . 1 1 27 27 LYS HA H 27 5.480 5.480 4.951 0.529 18088
122 1 . 1 1 27 27 LYS CA C 27 53.760 53.760 54.017 -0.257 18088
123 1 . 1 1 27 27 LYS CB C 27 37.420 37.420 36.099 1.321 18088
124 1 . 1 1 27 27 LYS H H 27 7.870 7.870 7.652 0.218 18088
125 1 . 1 1 28 28 LEU N N 28 121.530 121.530 121.398 0.132 18088
126 1 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.736 -0.016 18088
127 1 . 1 1 28 28 LEU CA C 28 52.720 52.720 53.939 -1.219 18088
128 1 . 1 1 28 28 LEU CB C 28 46.380 46.380 45.946 0.434 18088
129 1 . 1 1 28 28 LEU H H 28 8.840 8.840 8.111 0.728 18088
130 1 . 1 1 29 29 SER N N 29 120.620 120.620 116.810 3.810 18088
131 1 . 1 1 29 29 SER HA H 29 5.040 5.040 4.572 0.468 18088
132 1 . 1 1 29 29 SER CA C 29 57.850 57.850 58.725 -0.875 18088
133 1 . 1 1 29 29 SER CB C 29 64.240 64.240 63.927 0.313 18088
134 1 . 1 1 29 29 SER H H 29 8.940 8.940 8.581 0.359 18088
135 1 . 1 1 30 30 LYS N N 30 124.390 124.390 122.452 1.938 18088
136 1 . 1 1 30 30 LYS HA H 30 3.860 3.860 4.119 -0.259 18088
137 1 . 1 1 30 30 LYS CA C 30 61.460 61.460 59.948 1.513 18088
138 1 . 1 1 30 30 LYS CB C 30 31.820 31.820 32.688 -0.868 18088
139 1 . 1 1 30 30 LYS H H 30 8.810 8.810 8.664 0.146 18088
140 1 . 1 1 31 31 LYS N N 31 120.250 120.250 119.497 0.753 18088
141 1 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.930 0.240 18088
142 1 . 1 1 31 31 LYS CA C 31 59.290 59.290 59.618 -0.328 18088
143 1 . 1 1 31 31 LYS CB C 31 32.470 32.470 31.670 0.800 18088
144 1 . 1 1 31 31 LYS H H 31 8.740 8.740 7.743 0.997 18088
145 1 . 1 1 32 32 GLU N N 32 121.570 121.570 119.233 2.337 18088
146 1 . 1 1 32 32 GLU HA H 32 4.080 4.080 4.123 -0.043 18088
147 1 . 1 1 32 32 GLU CA C 32 58.280 58.280 58.469 -0.189 18088
148 1 . 1 1 32 32 GLU CB C 32 29.240 29.240 28.997 0.243 18088
149 1 . 1 1 32 32 GLU H H 32 7.790 7.790 8.552 -0.762 18088
150 1 . 1 1 33 33 LEU N N 33 121.720 121.720 121.512 0.208 18088
151 1 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.101 -0.101 18088
152 1 . 1 1 33 33 LEU CA C 33 57.190 57.190 57.352 -0.162 18088
153 1 . 1 1 33 33 LEU CB C 33 40.480 40.480 42.055 -1.575 18088
154 1 . 1 1 33 33 LEU H H 33 8.890 8.890 7.929 0.961 18088
155 1 . 1 1 34 34 LYS N N 34 120.420 120.420 119.528 0.892 18088
156 1 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.820 -0.200 18088
157 1 . 1 1 34 34 LYS CA C 34 60.840 60.840 60.556 0.284 18088
158 1 . 1 1 34 34 LYS CB C 34 31.750 31.750 32.076 -0.326 18088
159 1 . 1 1 34 34 LYS H H 34 8.420 8.420 8.143 0.277 18088
160 1 . 1 1 35 35 GLU N N 35 117.260 117.260 118.337 -1.077 18088
161 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.056 0.014 18088
162 1 . 1 1 35 35 GLU CA C 35 59.250 59.250 58.738 0.512 18088
163 1 . 1 1 35 35 GLU CB C 35 29.050 29.050 29.710 -0.660 18088
164 1 . 1 1 35 35 GLU H H 35 7.220 7.220 7.551 -0.331 18088
165 1 . 1 1 36 36 LEU N N 36 122.740 122.740 121.075 1.666 18088
166 1 . 1 1 36 36 LEU HA H 36 3.730 3.730 3.902 -0.172 18088
167 1 . 1 1 36 36 LEU CA C 36 59.220 59.220 58.081 1.139 18088
168 1 . 1 1 36 36 LEU CB C 36 42.200 42.200 41.410 0.790 18088
169 1 . 1 1 36 36 LEU H H 36 8.330 8.330 7.449 0.881 18088
170 1 . 1 1 37 37 LEU N N 37 120.360 120.360 115.183 5.177 18088
171 1 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.218 -0.538 18088
172 1 . 1 1 37 37 LEU CA C 37 58.270 58.270 57.874 0.396 18088
173 1 . 1 1 37 37 LEU CB C 37 41.500 41.500 41.231 0.269 18088
174 1 . 1 1 37 37 LEU H H 37 8.790 8.790 7.703 1.087 18088
175 1 . 1 1 38 38 GLN N N 38 113.560 113.560 117.732 -4.172 18088
176 1 . 1 1 38 38 GLN HA H 38 3.720 3.720 4.050 -0.330 18088
177 1 . 1 1 38 38 GLN CA C 38 58.680 58.680 58.422 0.258 18088
178 1 . 1 1 38 38 GLN CB C 38 28.760 28.760 28.523 0.237 18088
179 1 . 1 1 38 38 GLN H H 38 8.100 8.100 8.151 -0.051 18088
180 1 . 1 1 39 39 THR N N 39 109.810 109.810 115.488 -5.678 18088
181 1 . 1 1 39 39 THR HA H 39 4.280 4.280 4.196 0.085 18088
182 1 . 1 1 39 39 THR CA C 39 64.510 64.510 65.598 -1.088 18088
183 1 . 1 1 39 39 THR CB C 39 69.740 69.740 68.947 0.793 18088
184 1 . 1 1 39 39 THR H H 39 7.690 7.690 7.809 -0.119 18088
185 1 . 1 1 40 40 GLU N N 40 118.480 118.480 121.239 -2.759 18088
186 1 . 1 1 40 40 GLU HA H 40 4.730 4.730 4.262 0.468 18088
187 1 . 1 1 40 40 GLU CA C 40 56.690 56.690 58.495 -1.805 18088
188 1 . 1 1 40 40 GLU CB C 40 30.090 30.090 29.925 0.165 18088
189 1 . 1 1 40 40 GLU H H 40 9.000 9.000 7.805 1.195 18088
190 1 . 1 1 41 41 LEU N N 41 120.000 120.000 120.352 -0.352 18088
191 1 . 1 1 41 41 LEU HA H 41 5.150 5.150 4.608 0.542 18088
192 1 . 1 1 41 41 LEU CA C 41 53.240 53.240 53.999 -0.759 18088
193 1 . 1 1 41 41 LEU CB C 41 42.250 42.250 41.688 0.562 18088
194 1 . 1 1 41 41 LEU H H 41 7.890 7.890 7.941 -0.051 18088
195 1 . 1 1 42 42 SER N N 42 112.560 112.560 116.660 -4.100 18088
196 1 . 1 1 42 42 SER HA H 42 3.840 3.840 4.351 -0.511 18088
197 1 . 1 1 42 42 SER CA C 42 61.610 61.610 60.700 0.910 18088
198 1 . 1 1 42 42 SER CB C 42 62.780 62.780 62.920 -0.140 18088
199 1 . 1 1 42 42 SER H H 42 6.890 6.890 7.687 -0.797 18088
200 1 . 1 1 43 43 GLY N N 43 114.540 114.540 109.399 5.141 18088
201 1 . 1 1 43 43 GLY CA C 43 46.660 46.660 47.286 -0.626 18088
202 1 . 1 1 43 43 GLY H H 43 9.310 9.310 8.045 1.265 18088
203 1 . 1 1 44 44 PHE N N 44 125.000 125.000 119.164 5.836 18088
204 1 . 1 1 44 44 PHE HA H 44 4.580 4.580 4.433 0.147 18088
205 1 . 1 1 44 44 PHE CA C 44 57.610 57.610 59.661 -2.050 18088
206 1 . 1 1 44 44 PHE CB C 44 36.460 36.460 38.781 -2.321 18088
207 1 . 1 1 44 44 PHE H H 44 8.400 8.400 7.509 0.891 18088
208 1 . 1 1 45 45 LEU N N 45 116.880 116.880 120.190 -3.310 18088
209 1 . 1 1 45 45 LEU HA H 45 3.510 3.510 4.036 -0.526 18088
210 1 . 1 1 45 45 LEU CA C 45 57.240 57.240 57.296 -0.056 18088
211 1 . 1 1 45 45 LEU CB C 45 41.520 41.520 41.819 -0.299 18088
212 1 . 1 1 45 45 LEU H H 45 8.550 8.550 7.829 0.721 18088
213 1 . 1 1 46 46 ASP N N 46 119.260 119.260 120.072 -0.812 18088
214 1 . 1 1 46 46 ASP HA H 46 4.720 4.720 4.440 0.280 18088
215 1 . 1 1 46 46 ASP CA C 46 55.130 55.130 56.688 -1.558 18088
216 1 . 1 1 46 46 ASP CB C 46 41.460 41.460 40.739 0.721 18088
217 1 . 1 1 46 46 ASP H H 46 7.460 7.460 7.899 -0.439 18088
218 1 . 1 1 47 47 ALA N N 47 124.850 124.850 122.099 2.751 18088
219 1 . 1 1 47 47 ALA HA H 47 4.540 4.540 4.306 0.234 18088
220 1 . 1 1 47 47 ALA CA C 47 50.690 50.690 51.701 -1.011 18088
221 1 . 1 1 47 47 ALA CB C 47 18.790 18.790 17.540 1.250 18088
222 1 . 1 1 47 47 ALA H H 47 7.620 7.620 7.568 0.052 18088
223 1 . 1 1 48 48 GLN N N 48 116.830 116.830 117.951 -1.121 18088
224 1 . 1 1 48 48 GLN HA H 48 3.800 3.800 4.225 -0.425 18088
225 1 . 1 1 48 48 GLN CA C 48 57.150 57.150 56.582 0.568 18088
226 1 . 1 1 48 48 GLN CB C 48 29.810 29.810 28.968 0.842 18088
227 1 . 1 1 48 48 GLN H H 48 7.740 7.740 7.735 0.005 18088
228 1 . 1 1 49 49 LYS N N 49 121.570 121.570 122.527 -0.957 18088
229 1 . 1 1 49 49 LYS HA H 49 4.120 4.120 4.468 -0.348 18088
230 1 . 1 1 49 49 LYS CA C 49 55.830 55.830 56.919 -1.089 18088
231 1 . 1 1 49 49 LYS CB C 49 31.050 31.050 34.086 -3.036 18088
232 1 . 1 1 49 49 LYS H H 49 7.790 7.790 8.457 -0.667 18088
233 1 . 1 1 50 50 ASP N N 50 118.910 118.910 123.333 -4.423 18088
234 1 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.702 -0.012 18088
235 1 . 1 1 50 50 ASP CA C 50 51.830 51.830 53.822 -1.992 18088
236 1 . 1 1 50 50 ASP CB C 50 39.950 39.950 39.447 0.503 18088
237 1 . 1 1 50 50 ASP H H 50 7.480 7.480 8.153 -0.673 18088
238 1 . 1 1 51 51 VAL N N 51 122.060 122.060 122.693 -0.633 18088
239 1 . 1 1 51 51 VAL HA H 51 3.900 3.900 3.601 0.299 18088
240 1 . 1 1 51 51 VAL CA C 51 64.730 64.730 65.589 -0.859 18088
241 1 . 1 1 51 51 VAL CB C 51 31.950 31.950 31.503 0.447 18088
242 1 . 1 1 51 51 VAL H H 51 7.820 7.820 8.771 -0.951 18088
243 1 . 1 1 52 52 ASP N N 52 120.090 120.090 120.229 -0.139 18088
244 1 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.341 0.039 18088
245 1 . 1 1 52 52 ASP CA C 52 57.260 57.260 57.417 -0.157 18088
246 1 . 1 1 52 52 ASP CB C 52 40.580 40.580 40.093 0.487 18088
247 1 . 1 1 52 52 ASP H H 52 8.190 8.190 8.276 -0.086 18088
248 1 . 1 1 53 53 ALA N N 53 122.110 122.110 122.290 -0.180 18088
249 1 . 1 1 53 53 ALA HA H 53 4.040 4.040 4.242 -0.202 18088
250 1 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.924 -0.324 18088
251 1 . 1 1 53 53 ALA CB C 53 18.680 18.680 18.746 -0.066 18088
252 1 . 1 1 53 53 ALA H H 53 7.620 7.620 8.407 -0.788 18088
253 1 . 1 1 54 54 VAL N N 54 118.070 118.070 118.746 -0.676 18088
254 1 . 1 1 54 54 VAL HA H 54 3.420 3.420 3.562 -0.143 18088
255 1 . 1 1 54 54 VAL CA C 54 66.340 66.340 66.728 -0.388 18088
256 1 . 1 1 54 54 VAL CB C 54 32.010 32.010 31.453 0.557 18088
257 1 . 1 1 54 54 VAL H H 54 7.380 7.380 7.647 -0.267 18088
258 1 . 1 1 55 55 ASP N N 55 119.590 119.590 118.735 0.855 18088
259 1 . 1 1 55 55 ASP HA H 55 4.310 4.310 4.479 -0.169 18088
260 1 . 1 1 55 55 ASP CA C 55 57.370 57.370 56.981 0.389 18088
261 1 . 1 1 55 55 ASP CB C 55 40.960 40.960 40.918 0.042 18088
262 1 . 1 1 55 55 ASP H H 55 8.500 8.500 8.291 0.209 18088
263 1 . 1 1 56 56 LYS N N 56 118.010 118.010 120.221 -2.211 18088
264 1 . 1 1 56 56 LYS HA H 56 3.940 3.940 4.042 -0.102 18088
265 1 . 1 1 56 56 LYS CA C 56 59.760 59.760 59.341 0.419 18088
266 1 . 1 1 56 56 LYS CB C 56 32.510 32.510 32.609 -0.099 18088
267 1 . 1 1 56 56 LYS H H 56 7.970 7.970 7.495 0.475 18088
268 1 . 1 1 57 57 VAL N N 57 119.390 119.390 120.063 -0.673 18088
269 1 . 1 1 57 57 VAL HA H 57 3.710 3.710 3.733 -0.023 18088
270 1 . 1 1 57 57 VAL CA C 57 66.040 66.040 65.944 0.096 18088
271 1 . 1 1 57 57 VAL CB C 57 32.100 32.100 31.809 0.291 18088
272 1 . 1 1 57 57 VAL H H 57 7.310 7.310 8.237 -0.927 18088
273 1 . 1 1 58 58 MET N N 58 116.040 116.040 116.905 -0.865 18088
274 1 . 1 1 58 58 MET HA H 58 4.120 4.120 4.104 0.016 18088
275 1 . 1 1 58 58 MET CA C 58 57.430 57.430 58.221 -0.791 18088
276 1 . 1 1 58 58 MET CB C 58 31.260 31.260 31.705 -0.445 18088
277 1 . 1 1 58 58 MET H H 58 8.370 8.370 7.718 0.652 18088
278 1 . 1 1 59 59 LYS N N 59 118.900 118.900 119.007 -0.107 18088
279 1 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.061 0.009 18088
280 1 . 1 1 59 59 LYS CA C 59 59.130 59.130 59.038 0.092 18088
281 1 . 1 1 59 59 LYS CB C 59 32.390 32.390 32.205 0.185 18088
282 1 . 1 1 59 59 LYS H H 59 8.600 8.600 7.995 0.605 18088
283 1 . 1 1 60 60 GLU N N 60 119.880 119.880 119.850 0.030 18088
284 1 . 1 1 60 60 GLU HA H 60 4.040 4.040 4.096 -0.056 18088
285 1 . 1 1 60 60 GLU CA C 60 59.530 59.530 59.280 0.250 18088
286 1 . 1 1 60 60 GLU CB C 60 28.550 28.550 29.681 -1.131 18088
287 1 . 1 1 60 60 GLU H H 60 7.430 7.430 7.780 -0.350 18088
288 1 . 1 1 61 61 LEU N N 61 116.900 116.900 117.769 -0.869 18088
289 1 . 1 1 61 61 LEU HA H 61 3.940 3.940 4.144 -0.204 18088
290 1 . 1 1 61 61 LEU CA C 61 57.210 57.210 57.391 -0.181 18088
291 1 . 1 1 61 61 LEU CB C 61 40.530 40.530 41.634 -1.104 18088
292 1 . 1 1 61 61 LEU H H 61 7.600 7.600 7.483 0.117 18088
293 1 . 1 1 62 62 ASP N N 62 115.990 115.990 119.161 -3.171 18088
294 1 . 1 1 62 62 ASP HA H 62 4.470 4.470 4.314 0.156 18088
295 1 . 1 1 62 62 ASP CA C 62 56.120 56.120 57.178 -1.058 18088
296 1 . 1 1 62 62 ASP CB C 62 41.530 41.530 40.972 0.558 18088
297 1 . 1 1 62 62 ASP H H 62 7.590 7.590 7.897 -0.307 18088
298 1 . 1 1 63 63 GLU N N 63 118.920 118.920 116.928 1.992 18088
299 1 . 1 1 63 63 GLU HA H 63 4.110 4.110 4.272 -0.162 18088
300 1 . 1 1 63 63 GLU CA C 63 58.030 58.030 58.038 -0.008 18088
301 1 . 1 1 63 63 GLU CB C 63 30.000 30.000 29.666 0.334 18088
302 1 . 1 1 63 63 GLU H H 63 8.120 8.120 7.802 0.318 18088
303 1 . 1 1 64 64 ASN N N 64 117.750 117.750 117.920 -0.170 18088
304 1 . 1 1 64 64 ASN HA H 64 5.170 5.170 4.930 0.240 18088
305 1 . 1 1 64 64 ASN CA C 64 51.870 51.870 52.820 -0.950 18088
306 1 . 1 1 64 64 ASN CB C 64 38.610 38.610 38.745 -0.135 18088
307 1 . 1 1 64 64 ASN H H 64 7.730 7.730 7.815 -0.085 18088
308 1 . 1 1 65 65 GLY N N 65 107.100 107.100 109.656 -2.556 18088
309 1 . 1 1 65 65 GLY CA C 65 47.880 47.880 47.074 0.806 18088
310 1 . 1 1 65 65 GLY H H 65 7.750 7.750 7.876 -0.126 18088
311 1 . 1 1 66 66 ASP N N 66 115.630 115.630 120.305 -4.675 18088
312 1 . 1 1 66 66 ASP HA H 66 4.830 4.830 4.727 0.103 18088
313 1 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.037 0.013 18088
314 1 . 1 1 66 66 ASP CB C 66 40.560 40.560 40.712 -0.152 18088
315 1 . 1 1 66 66 ASP H H 66 8.320 8.320 8.159 0.161 18088
316 1 . 1 1 67 67 GLY N N 67 109.240 109.240 108.353 0.887 18088
317 1 . 1 1 67 67 GLY CA C 67 44.790 44.790 44.993 -0.203 18088
318 1 . 1 1 67 67 GLY H H 67 8.260 8.260 7.878 0.382 18088
319 1 . 1 1 68 68 GLU N N 68 117.540 117.540 117.569 -0.030 18088
320 1 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.787 0.463 18088
321 1 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.518 -0.548 18088
322 1 . 1 1 68 68 GLU CB C 68 33.890 33.890 33.721 0.169 18088
323 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.173 0.327 18088
324 1 . 1 1 69 69 VAL N N 69 115.550 115.550 118.960 -3.410 18088
325 1 . 1 1 69 69 VAL HA H 69 4.960 4.960 4.695 0.265 18088
326 1 . 1 1 69 69 VAL CA C 69 59.070 59.070 59.569 -0.499 18088
327 1 . 1 1 69 69 VAL CB C 69 35.010 35.010 35.676 -0.666 18088
328 1 . 1 1 69 69 VAL H H 69 9.190 9.190 8.694 0.496 18088
329 1 . 1 1 70 70 ASP N N 70 121.130 121.130 120.299 0.831 18088
330 1 . 1 1 70 70 ASP HA H 70 5.560 5.560 5.000 0.560 18088
331 1 . 1 1 70 70 ASP CA C 70 51.000 51.000 52.910 -1.910 18088
332 1 . 1 1 70 70 ASP CB C 70 42.670 42.670 42.209 0.461 18088
333 1 . 1 1 70 70 ASP H H 70 8.320 8.320 8.167 0.153 18088
334 1 . 1 1 71 71 PHE N N 71 119.290 119.290 120.444 -1.154 18088
335 1 . 1 1 71 71 PHE HA H 71 3.470 3.470 4.065 -0.595 18088
336 1 . 1 1 71 71 PHE CA C 71 61.460 61.460 62.142 -0.682 18088
337 1 . 1 1 71 71 PHE CB C 71 40.230 40.230 39.724 0.506 18088
338 1 . 1 1 71 71 PHE H H 71 9.480 9.480 8.644 0.836 18088
339 1 . 1 1 72 72 GLN N N 72 116.810 116.810 118.650 -1.839 18088
340 1 . 1 1 72 72 GLN HA H 72 3.410 3.410 3.891 -0.481 18088
341 1 . 1 1 72 72 GLN CA C 72 60.650 60.650 59.467 1.183 18088
342 1 . 1 1 72 72 GLN CB C 72 28.730 28.730 28.092 0.638 18088
343 1 . 1 1 72 72 GLN H H 72 8.140 8.140 8.760 -0.620 18088
344 1 . 1 1 73 73 GLU N N 73 119.590 119.590 118.699 0.891 18088
345 1 . 1 1 73 73 GLU HA H 73 3.960 3.960 4.056 -0.096 18088
346 1 . 1 1 73 73 GLU CA C 73 59.130 59.130 58.643 0.487 18088
347 1 . 1 1 73 73 GLU CB C 73 30.190 30.190 29.394 0.796 18088
348 1 . 1 1 73 73 GLU H H 73 8.260 8.260 8.370 -0.110 18088
349 1 . 1 1 74 74 TYR N N 74 122.520 122.520 121.856 0.664 18088
350 1 . 1 1 74 74 TYR HA H 74 4.330 4.330 4.074 0.256 18088
351 1 . 1 1 74 74 TYR CA C 74 60.120 60.120 61.166 -1.046 18088
352 1 . 1 1 74 74 TYR CB C 74 36.710 36.710 38.244 -1.534 18088
353 1 . 1 1 74 74 TYR H H 74 8.240 8.240 8.081 0.159 18088
354 1 . 1 1 75 75 VAL N N 75 120.300 120.300 117.742 2.558 18088
355 1 . 1 1 75 75 VAL HA H 75 2.650 2.650 3.218 -0.568 18088
356 1 . 1 1 75 75 VAL CA C 75 66.880 66.880 66.147 0.733 18088
357 1 . 1 1 75 75 VAL CB C 75 30.430 30.430 31.049 -0.619 18088
358 1 . 1 1 75 75 VAL H H 75 7.980 7.980 7.917 0.063 18088
359 1 . 1 1 76 76 VAL N N 76 119.180 119.180 119.549 -0.369 18088
360 1 . 1 1 76 76 VAL HA H 76 3.330 3.330 3.587 -0.257 18088
361 1 . 1 1 76 76 VAL CA C 76 66.650 66.650 66.077 0.573 18088
362 1 . 1 1 76 76 VAL CB C 76 31.590 31.590 31.151 0.439 18088
363 1 . 1 1 76 76 VAL H H 76 7.560 7.560 7.900 -0.340 18088
364 1 . 1 1 77 77 LEU N N 77 121.440 121.440 119.509 1.931 18088
365 1 . 1 1 77 77 LEU HA H 77 4.140 4.140 4.020 0.120 18088
366 1 . 1 1 77 77 LEU CA C 77 58.180 58.180 57.682 0.498 18088
367 1 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.531 0.419 18088
368 1 . 1 1 77 77 LEU H H 77 7.740 7.740 7.277 0.463 18088
369 1 . 1 1 78 78 VAL N N 78 119.220 119.220 115.666 3.554 18088
370 1 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.482 -0.042 18088
371 1 . 1 1 78 78 VAL CA C 78 67.130 67.130 65.399 1.731 18088
372 1 . 1 1 78 78 VAL CB C 78 31.310 31.310 30.801 0.509 18088
373 1 . 1 1 78 78 VAL H H 78 8.320 8.320 7.167 1.153 18088
374 1 . 1 1 79 79 ALA N N 79 124.780 124.780 121.262 3.518 18088
375 1 . 1 1 79 79 ALA HA H 79 4.010 4.010 4.131 -0.121 18088
376 1 . 1 1 79 79 ALA CA C 79 55.860 55.860 53.823 2.037 18088
377 1 . 1 1 79 79 ALA CB C 79 17.960 17.960 18.391 -0.431 18088
378 1 . 1 1 79 79 ALA H H 79 9.000 9.000 8.039 0.961 18088
379 1 . 1 1 80 80 ALA N N 80 121.760 121.760 121.367 0.393 18088
380 1 . 1 1 80 80 ALA HA H 80 3.920 3.920 3.978 -0.058 18088
381 1 . 1 1 80 80 ALA CA C 80 55.170 55.170 54.543 0.627 18088
382 1 . 1 1 80 80 ALA CB C 80 17.480 17.480 18.228 -0.749 18088
383 1 . 1 1 80 80 ALA H H 80 8.240 8.240 7.533 0.707 18088
384 1 . 1 1 81 81 LEU N N 81 118.310 118.310 117.509 0.801 18088
385 1 . 1 1 81 81 LEU HA H 81 3.650 3.650 4.086 -0.436 18088
386 1 . 1 1 81 81 LEU CA C 81 57.310 57.310 57.331 -0.021 18088
387 1 . 1 1 81 81 LEU CB C 81 40.650 40.650 41.984 -1.334 18088
388 1 . 1 1 81 81 LEU H H 81 7.920 7.920 7.442 0.478 18088
389 1 . 1 1 82 82 THR N N 82 116.240 116.240 115.950 0.290 18088
390 1 . 1 1 82 82 THR HA H 82 3.710 3.710 3.975 -0.265 18088
391 1 . 1 1 82 82 THR CA C 82 68.770 68.770 66.557 2.213 18088
392 1 . 1 1 82 82 THR CB C 82 67.420 67.420 68.570 -1.150 18088
393 1 . 1 1 82 82 THR H H 82 8.120 8.120 7.608 0.512 18088
394 1 . 1 1 83 83 VAL N N 83 120.000 120.000 112.630 7.370 18088
395 1 . 1 1 83 83 VAL HA H 83 3.030 3.030 3.617 -0.587 18088
396 1 . 1 1 83 83 VAL CA C 83 64.950 64.950 61.491 3.458 18088
397 1 . 1 1 83 83 VAL CB C 83 30.850 30.850 31.162 -0.312 18088
398 1 . 1 1 83 83 VAL H H 83 7.780 7.780 7.271 0.509 18088
399 1 . 1 1 87 87 ASN N N 87 124.810 124.810 117.466 7.344 18088
400 1 . 1 1 87 87 ASN HA H 87 4.230 4.230 4.215 0.015 18088
401 1 . 1 1 87 87 ASN CA C 87 56.030 56.030 54.124 1.906 18088
402 1 . 1 1 87 87 ASN CB C 87 38.270 38.270 38.186 0.084 18088
403 1 . 1 1 87 87 ASN H H 87 9.130 9.130 7.647 1.483 18088
404 1 . 1 1 88 88 PHE N N 88 120.680 120.680 115.882 4.798 18088
405 1 . 1 1 88 88 PHE HA H 88 4.090 4.090 4.120 -0.030 18088
406 1 . 1 1 88 88 PHE CA C 88 60.830 60.830 59.435 1.395 18088
407 1 . 1 1 88 88 PHE CB C 88 39.310 39.310 38.939 0.371 18088
408 1 . 1 1 88 88 PHE H H 88 8.650 8.650 7.481 1.169 18088
409 1 . 1 1 89 89 PHE N N 89 112.580 112.580 114.601 -2.021 18088
410 1 . 1 1 89 89 PHE HA H 89 3.800 3.800 4.706 -0.906 18088
411 1 . 1 1 89 89 PHE CA C 89 58.910 58.910 57.569 1.341 18088
412 1 . 1 1 89 89 PHE CB C 89 38.880 38.880 40.788 -1.908 18088
413 1 . 1 1 89 89 PHE H H 89 7.410 7.410 7.395 0.015 18088
414 1 . 1 1 90 90 TRP N N 90 118.690 118.690 121.974 -3.284 18088
415 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.671 -0.081 18088
416 1 . 1 1 90 90 TRP CA C 90 56.300 56.300 56.582 -0.282 18088
417 1 . 1 1 90 90 TRP CB C 90 31.180 31.180 27.896 3.284 18088
418 1 . 1 1 90 90 TRP H H 90 7.370 7.370 8.132 -0.762 18088
419 1 . 1 1 91 91 GLU N N 91 121.380 121.380 119.870 1.509 18088
420 1 . 1 1 91 91 GLU HA H 91 4.340 4.340 4.402 -0.062 18088
421 1 . 1 1 91 91 GLU CA C 91 56.470 56.470 56.363 0.107 18088
422 1 . 1 1 91 91 GLU CB C 91 30.430 30.430 30.949 -0.518 18088
423 1 . 1 1 91 91 GLU H H 91 7.820 7.820 8.063 -0.243 18088
424 1 . 1 1 92 92 ASN N N 92 120.640 120.640 123.768 -3.128 18088
425 1 . 1 1 92 92 ASN HA H 92 4.800 4.800 4.723 0.077 18088
426 1 . 1 1 92 92 ASN CA C 92 53.540 53.540 53.838 -0.298 18088
427 1 . 1 1 92 92 ASN CB C 92 38.980 38.980 38.715 0.265 18088
428 1 . 1 1 92 92 ASN H H 92 8.560 8.560 8.642 -0.082 18088
stop_
save_