data_18089
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18089
_Entry.PDB_ID 2LLU
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 18089
_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 2 118.700 118.700 115.519 3.181 18089
2 1 1 . 1 1 2 2 SER HA H 2 4.680 4.680 4.518 0.162 18089
3 1 1 . 1 1 2 2 SER CA C 2 57.280 57.280 57.895 -0.615 18089
4 1 1 . 1 1 2 2 SER CB C 2 65.190 65.190 64.681 0.509 18089
5 1 1 . 1 1 2 2 SER H H 2 9.250 9.250 8.258 0.992 18089
6 1 1 . 1 1 3 3 GLU N N 3 122.910 122.910 121.427 1.483 18089
7 1 1 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.103 0.007 18089
8 1 1 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.161 1.319 18089
9 1 1 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.712 -0.702 18089
10 1 1 . 1 1 3 3 GLU H H 3 9.250 9.250 8.740 0.510 18089
11 1 1 . 1 1 4 4 LEU N N 4 121.150 121.150 117.151 3.999 18089
12 1 1 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.182 -0.132 18089
13 1 1 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.517 0.173 18089
14 1 1 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.064 1.086 18089
15 1 1 . 1 1 4 4 LEU H H 4 8.940 8.940 7.891 1.049 18089
16 1 1 . 1 1 5 5 GLU N N 5 118.630 118.630 119.068 -0.438 18089
17 1 1 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.050 -0.810 18089
18 1 1 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.325 0.385 18089
19 1 1 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.946 0.024 18089
20 1 1 . 1 1 5 5 GLU H H 5 7.840 7.840 8.748 -0.908 18089
21 1 1 . 1 1 6 6 THR N N 6 116.040 116.040 115.178 0.862 18089
22 1 1 . 1 1 6 6 THR HA H 6 4.000 4.000 4.070 -0.070 18089
23 1 1 . 1 1 6 6 THR CA C 6 66.620 66.620 65.281 1.339 18089
24 1 1 . 1 1 6 6 THR CB C 6 68.650 68.650 68.251 0.399 18089
25 1 1 . 1 1 6 6 THR H H 6 8.430 8.430 7.730 0.700 18089
26 1 1 . 1 1 7 7 ALA N N 7 125.730 125.730 125.042 0.688 18089
27 1 1 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.107 0.163 18089
28 1 1 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.983 0.607 18089
29 1 1 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.481 -0.331 18089
30 1 1 . 1 1 7 7 ALA H H 7 8.290 8.290 7.628 0.662 18089
31 1 1 . 1 1 8 8 MET N N 8 115.120 115.120 116.217 -1.097 18089
32 1 1 . 1 1 8 8 MET HA H 8 4.870 4.870 4.150 0.720 18089
33 1 1 . 1 1 8 8 MET CA C 8 56.540 56.540 58.840 -2.300 18089
34 1 1 . 1 1 8 8 MET CB C 8 28.950 28.950 31.987 -3.037 18089
35 1 1 . 1 1 8 8 MET H H 8 8.100 8.100 7.646 0.454 18089
36 1 1 . 1 1 9 9 GLU N N 9 120.560 120.560 118.524 2.036 18089
37 1 1 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.975 0.135 18089
38 1 1 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.337 1.143 18089
39 1 1 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.959 -0.119 18089
40 1 1 . 1 1 9 9 GLU H H 9 8.710 8.710 7.862 0.848 18089
41 1 1 . 1 1 10 10 THR N N 10 118.800 118.800 113.832 4.968 18089
42 1 1 . 1 1 10 10 THR HA H 10 4.120 4.120 4.160 -0.040 18089
43 1 1 . 1 1 10 10 THR CA C 10 67.230 67.230 65.295 1.935 18089
44 1 1 . 1 1 10 10 THR CB C 10 67.570 67.570 68.583 -1.013 18089
45 1 1 . 1 1 10 10 THR H H 10 8.470 8.470 7.859 0.611 18089
46 1 1 . 1 1 11 11 LEU N N 11 121.860 121.860 120.766 1.094 18089
47 1 1 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.258 -0.148 18089
48 1 1 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.909 2.571 18089
49 1 1 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.769 1.171 18089
50 1 1 . 1 1 11 11 LEU H H 11 8.340 8.340 7.732 0.608 18089
51 1 1 . 1 1 12 12 ILE N N 12 121.270 121.270 117.262 4.008 18089
52 1 1 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.144 -0.594 18089
53 1 1 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.557 1.603 18089
54 1 1 . 1 1 12 12 ILE CB C 12 38.400 38.400 38.051 0.349 18089
55 1 1 . 1 1 12 12 ILE H H 12 8.480 8.480 7.914 0.566 18089
56 1 1 . 1 1 13 13 ASN N N 13 120.510 120.510 120.394 0.116 18089
57 1 1 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.477 -0.127 18089
58 1 1 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.334 0.156 18089
59 1 1 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.765 0.175 18089
60 1 1 . 1 1 13 13 ASN H H 13 8.690 8.690 8.609 0.081 18089
61 1 1 . 1 1 14 14 VAL N N 14 121.990 121.990 118.427 3.563 18089
62 1 1 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.959 -0.089 18089
63 1 1 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.035 2.514 18089
64 1 1 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.335 -0.625 18089
65 1 1 . 1 1 14 14 VAL H H 14 8.880 8.880 7.398 1.482 18089
66 1 1 . 1 1 15 15 PHE N N 15 120.470 120.470 120.259 0.211 18089
67 1 1 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.676 -0.106 18089
68 1 1 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.183 1.297 18089
69 1 1 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.081 0.419 18089
70 1 1 . 1 1 15 15 PHE H H 15 7.480 7.480 7.805 -0.325 18089
71 1 1 . 1 1 16 16 HIS N N 16 118.280 118.280 119.066 -0.786 18089
72 1 1 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.232 1.018 18089
73 1 1 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.506 -3.536 18089
74 1 1 . 1 1 16 16 HIS CB C 16 30.130 30.130 29.945 0.185 18089
75 1 1 . 1 1 16 16 HIS H H 16 9.270 9.270 8.164 1.106 18089
76 1 1 . 1 1 17 17 ALA N N 17 121.080 121.080 121.174 -0.094 18089
77 1 1 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.130 -0.290 18089
78 1 1 . 1 1 17 17 ALA CA C 17 54.440 54.440 53.890 0.550 18089
79 1 1 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.776 -1.176 18089
80 1 1 . 1 1 17 17 ALA H H 17 8.160 8.160 7.315 0.845 18089
81 1 1 . 1 1 18 18 HIS N N 18 112.570 112.570 112.541 0.029 18089
82 1 1 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.617 -0.267 18089
83 1 1 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.008 1.482 18089
84 1 1 . 1 1 18 18 HIS CB C 18 30.990 30.990 31.494 -0.504 18089
85 1 1 . 1 1 18 18 HIS H H 18 7.410 7.410 7.474 -0.064 18089
86 1 1 . 1 1 19 19 SER HA H 19 4.110 4.110 4.130 -0.020 18089
87 1 1 . 1 1 19 19 SER CA C 19 60.480 60.480 58.171 2.309 18089
88 1 1 . 1 1 19 19 SER CB C 19 61.800 61.800 62.617 -0.817 18089
89 1 1 . 1 1 20 20 GLY N N 20 106.720 106.720 114.831 -8.111 18089
90 1 1 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.475 -0.235 18089
91 1 1 . 1 1 20 20 GLY H H 20 8.260 8.260 8.363 -0.103 18089
92 1 1 . 1 1 21 21 LYS N N 21 120.240 120.240 121.091 -0.851 18089
93 1 1 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.105 -0.115 18089
94 1 1 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.194 0.266 18089
95 1 1 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.218 0.282 18089
96 1 1 . 1 1 21 21 LYS H H 21 7.640 7.640 7.997 -0.357 18089
97 1 1 . 1 1 22 22 GLU N N 22 117.060 117.060 118.314 -1.254 18089
98 1 1 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.169 0.261 18089
99 1 1 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.305 -1.925 18089
100 1 1 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.793 1.247 18089
101 1 1 . 1 1 22 22 GLU H H 22 7.840 7.840 8.320 -0.480 18089
102 1 1 . 1 1 23 23 GLY N N 23 107.770 107.770 103.801 3.969 18089
103 1 1 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.905 0.925 18089
104 1 1 . 1 1 23 23 GLY H H 23 8.100 8.100 8.279 -0.179 18089
105 1 1 . 1 1 24 24 ASP N N 24 122.990 122.990 119.313 3.677 18089
106 1 1 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.854 -0.274 18089
107 1 1 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.695 0.915 18089
108 1 1 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.193 -0.833 18089
109 1 1 . 1 1 24 24 ASP H H 24 8.190 8.190 7.786 0.404 18089
110 1 1 . 1 1 25 25 LYS N N 25 124.920 124.920 119.912 5.008 18089
111 1 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.001 0.089 18089
112 1 1 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.168 0.202 18089
113 1 1 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.946 -0.936 18089
114 1 1 . 1 1 25 25 LYS H H 25 8.440 8.440 8.504 -0.064 18089
115 1 1 . 1 1 26 26 TYR N N 26 117.220 117.220 116.092 1.128 18089
116 1 1 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.756 0.364 18089
117 1 1 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.291 0.089 18089
118 1 1 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.427 -0.727 18089
119 1 1 . 1 1 26 26 TYR H H 26 8.490 8.490 7.894 0.596 18089
120 1 1 . 1 1 27 27 LYS N N 27 118.300 118.300 118.458 -0.158 18089
121 1 1 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.502 -0.012 18089
122 1 1 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.523 -0.703 18089
123 1 1 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.854 0.606 18089
124 1 1 . 1 1 27 27 LYS H H 27 7.870 7.870 7.335 0.535 18089
125 1 1 . 1 1 28 28 LEU N N 28 121.380 121.380 121.629 -0.249 18089
126 1 1 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.603 0.127 18089
127 1 1 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.222 -1.403 18089
128 1 1 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.752 0.618 18089
129 1 1 . 1 1 28 28 LEU H H 28 8.830 8.830 8.877 -0.047 18089
130 1 1 . 1 1 29 29 SER N N 29 120.620 120.620 115.855 4.765 18089
131 1 1 . 1 1 29 29 SER HA H 29 5.030 5.030 5.009 0.021 18089
132 1 1 . 1 1 29 29 SER CA C 29 57.890 57.890 57.936 -0.046 18089
133 1 1 . 1 1 29 29 SER CB C 29 64.270 64.270 64.718 -0.448 18089
134 1 1 . 1 1 29 29 SER H H 29 8.940 8.940 8.538 0.402 18089
135 1 1 . 1 1 30 30 LYS N N 30 124.430 124.430 122.174 2.256 18089
136 1 1 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.155 -0.285 18089
137 1 1 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.616 2.014 18089
138 1 1 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.790 -1.080 18089
139 1 1 . 1 1 30 30 LYS H H 30 8.820 8.820 8.211 0.609 18089
140 1 1 . 1 1 31 31 LYS N N 31 120.230 120.230 118.498 1.732 18089
141 1 1 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.925 0.245 18089
142 1 1 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.059 0.282 18089
143 1 1 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.889 0.611 18089
144 1 1 . 1 1 31 31 LYS H H 31 8.730 8.730 7.461 1.269 18089
145 1 1 . 1 1 32 32 GLU N N 32 121.570 121.570 119.928 1.642 18089
146 1 1 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.075 0.025 18089
147 1 1 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.978 -0.938 18089
148 1 1 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.095 -0.425 18089
149 1 1 . 1 1 32 32 GLU H H 32 7.780 7.780 7.644 0.136 18089
150 1 1 . 1 1 33 33 LEU N N 33 121.620 121.620 120.033 1.587 18089
151 1 1 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.876 0.124 18089
152 1 1 . 1 1 33 33 LEU CA C 33 57.290 57.290 58.054 -0.764 18089
153 1 1 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.569 -1.069 18089
154 1 1 . 1 1 33 33 LEU H H 33 8.910 8.910 7.506 1.404 18089
155 1 1 . 1 1 34 34 LYS N N 34 120.460 120.460 118.242 2.218 18089
156 1 1 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.897 -0.277 18089
157 1 1 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.541 1.399 18089
158 1 1 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.131 -0.721 18089
159 1 1 . 1 1 34 34 LYS H H 34 8.440 8.440 8.025 0.415 18089
160 1 1 . 1 1 35 35 GLU N N 35 117.190 117.190 118.832 -1.642 18089
161 1 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.419 -0.349 18089
162 1 1 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.734 0.536 18089
163 1 1 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.822 -0.792 18089
164 1 1 . 1 1 35 35 GLU H H 35 7.200 7.200 7.772 -0.572 18089
165 1 1 . 1 1 36 36 LEU N N 36 122.760 122.760 118.914 3.846 18089
166 1 1 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.172 -0.412 18089
167 1 1 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.962 1.038 18089
168 1 1 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.271 1.009 18089
169 1 1 . 1 1 36 36 LEU H H 36 8.310 8.310 7.802 0.508 18089
170 1 1 . 1 1 37 37 LEU N N 37 120.220 120.220 118.764 1.456 18089
171 1 1 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.261 -0.581 18089
172 1 1 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.634 0.686 18089
173 1 1 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.497 -0.977 18089
174 1 1 . 1 1 37 37 LEU H H 37 8.820 8.820 8.672 0.148 18089
175 1 1 . 1 1 38 38 GLN N N 38 113.470 113.470 116.832 -3.362 18089
176 1 1 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.174 -0.414 18089
177 1 1 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.113 0.887 18089
178 1 1 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.353 0.507 18089
179 1 1 . 1 1 38 38 GLN H H 38 8.110 8.110 7.944 0.166 18089
180 1 1 . 1 1 39 39 THR N N 39 109.960 109.960 113.205 -3.245 18089
181 1 1 . 1 1 39 39 THR HA H 39 4.290 4.290 4.344 -0.054 18089
182 1 1 . 1 1 39 39 THR CA C 39 64.560 64.560 63.948 0.612 18089
183 1 1 . 1 1 39 39 THR CB C 39 69.750 69.750 69.430 0.320 18089
184 1 1 . 1 1 39 39 THR H H 39 7.720 7.720 7.576 0.144 18089
185 1 1 . 1 1 40 40 GLU N N 40 118.420 118.420 118.839 -0.419 18089
186 1 1 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.430 0.290 18089
187 1 1 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.766 0.024 18089
188 1 1 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.040 -1.840 18089
189 1 1 . 1 1 40 40 GLU H H 40 9.020 9.020 7.975 1.045 18089
190 1 1 . 1 1 41 41 LEU N N 41 119.120 119.120 121.346 -2.226 18089
191 1 1 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.631 0.499 18089
192 1 1 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.931 -0.771 18089
193 1 1 . 1 1 41 41 LEU CB C 41 42.040 42.040 43.077 -1.037 18089
194 1 1 . 1 1 41 41 LEU H H 41 7.760 7.760 7.790 -0.030 18089
195 1 1 . 1 1 42 42 SER N N 42 112.960 112.960 116.488 -3.528 18089
196 1 1 . 1 1 42 42 SER HA H 42 3.870 3.870 4.413 -0.543 18089
197 1 1 . 1 1 42 42 SER CA C 42 61.630 61.630 57.851 3.779 18089
198 1 1 . 1 1 42 42 SER CB C 42 62.790 62.790 61.205 1.585 18089
199 1 1 . 1 1 42 42 SER H H 42 6.940 6.940 8.026 -1.086 18089
200 1 1 . 1 1 43 43 GLY N N 43 114.580 114.580 112.116 2.464 18089
201 1 1 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.596 1.184 18089
202 1 1 . 1 1 43 43 GLY H H 43 9.250 9.250 8.670 0.580 18089
203 1 1 . 1 1 44 44 PHE N N 44 124.560 124.560 118.655 5.905 18089
204 1 1 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.288 0.302 18089
205 1 1 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.624 -2.144 18089
206 1 1 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.754 -2.804 18089
207 1 1 . 1 1 44 44 PHE H H 44 8.320 8.320 7.673 0.647 18089
208 1 1 . 1 1 45 45 LEU N N 45 116.140 116.140 119.218 -3.078 18089
209 1 1 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.045 0.125 18089
210 1 1 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.965 -0.595 18089
211 1 1 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.781 0.469 18089
212 1 1 . 1 1 45 45 LEU H H 45 8.650 8.650 7.890 0.760 18089
213 1 1 . 1 1 46 46 ASP N N 46 119.960 119.960 116.367 3.593 18089
214 1 1 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.626 0.084 18089
215 1 1 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.417 0.223 18089
216 1 1 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.557 0.963 18089
217 1 1 . 1 1 46 46 ASP H H 46 7.730 7.730 8.061 -0.331 18089
218 1 1 . 1 1 47 47 ALA N N 47 124.260 124.260 119.661 4.599 18089
219 1 1 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.552 0.068 18089
220 1 1 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.199 -1.689 18089
221 1 1 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.850 -2.000 18089
222 1 1 . 1 1 47 47 ALA H H 47 7.740 7.740 7.522 0.218 18089
223 1 1 . 1 1 48 48 GLN N N 48 117.380 117.380 118.112 -0.732 18089
224 1 1 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.017 0.073 18089
225 1 1 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.543 0.827 18089
226 1 1 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.756 2.714 18089
227 1 1 . 1 1 48 48 GLN H H 48 7.650 7.650 8.571 -0.921 18089
228 1 1 . 1 1 49 49 LYS N N 49 121.400 121.400 120.652 0.748 18089
229 1 1 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.378 -0.248 18089
230 1 1 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.357 -0.117 18089
231 1 1 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.135 -2.215 18089
232 1 1 . 1 1 49 49 LYS H H 49 8.000 8.000 8.238 -0.238 18089
233 1 1 . 1 1 50 50 ASP N N 50 119.180 119.180 122.524 -3.344 18089
234 1 1 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.916 -0.256 18089
235 1 1 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.727 -2.127 18089
236 1 1 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.919 -0.059 18089
237 1 1 . 1 1 50 50 ASP H H 50 7.500 7.500 7.784 -0.284 18089
238 1 1 . 1 1 51 51 VAL N N 51 122.100 122.100 126.218 -4.118 18089
239 1 1 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.657 0.203 18089
240 1 1 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.161 -1.411 18089
241 1 1 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.829 0.141 18089
242 1 1 . 1 1 51 51 VAL H H 51 7.670 7.670 8.235 -0.565 18089
243 1 1 . 1 1 52 52 ASP N N 52 119.490 119.490 119.547 -0.057 18089
244 1 1 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.317 0.033 18089
245 1 1 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.547 -0.388 18089
246 1 1 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.670 -0.070 18089
247 1 1 . 1 1 52 52 ASP H H 52 8.130 8.130 8.273 -0.143 18089
248 1 1 . 1 1 53 53 ALA N N 53 122.220 122.220 122.199 0.021 18089
249 1 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.228 -0.208 18089
250 1 1 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.859 -0.299 18089
251 1 1 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.807 -0.067 18089
252 1 1 . 1 1 53 53 ALA H H 53 7.540 7.540 7.591 -0.051 18089
253 1 1 . 1 1 54 54 VAL N N 54 118.080 118.080 118.852 -0.772 18089
254 1 1 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.595 -0.245 18089
255 1 1 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.656 -0.076 18089
256 1 1 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.292 0.428 18089
257 1 1 . 1 1 54 54 VAL H H 54 7.310 7.310 8.204 -0.894 18089
258 1 1 . 1 1 55 55 ASP N N 55 119.630 119.630 119.324 0.306 18089
259 1 1 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.446 -0.166 18089
260 1 1 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.075 0.305 18089
261 1 1 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.758 0.152 18089
262 1 1 . 1 1 55 55 ASP H H 55 8.530 8.530 8.770 -0.240 18089
263 1 1 . 1 1 56 56 LYS N N 56 118.060 118.060 119.738 -1.678 18089
264 1 1 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.062 -0.132 18089
265 1 1 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.422 0.398 18089
266 1 1 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.555 -0.055 18089
267 1 1 . 1 1 56 56 LYS H H 56 7.950 7.950 7.430 0.520 18089
268 1 1 . 1 1 57 57 VAL N N 57 119.310 119.310 120.469 -1.159 18089
269 1 1 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.973 -0.253 18089
270 1 1 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.488 1.572 18089
271 1 1 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.708 0.382 18089
272 1 1 . 1 1 57 57 VAL H H 57 7.280 7.280 7.612 -0.332 18089
273 1 1 . 1 1 58 58 MET N N 58 115.980 115.980 119.667 -3.687 18089
274 1 1 . 1 1 58 58 MET HA H 58 4.090 4.090 4.121 -0.031 18089
275 1 1 . 1 1 58 58 MET CA C 58 57.370 57.370 58.814 -1.444 18089
276 1 1 . 1 1 58 58 MET CB C 58 31.310 31.310 31.826 -0.516 18089
277 1 1 . 1 1 58 58 MET H H 58 8.360 8.360 7.727 0.633 18089
278 1 1 . 1 1 59 59 LYS N N 59 118.900 118.900 116.924 1.976 18089
279 1 1 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.151 -0.081 18089
280 1 1 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.051 0.219 18089
281 1 1 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.765 0.745 18089
282 1 1 . 1 1 59 59 LYS H H 59 8.620 8.620 7.760 0.860 18089
283 1 1 . 1 1 60 60 GLU N N 60 119.830 119.830 121.370 -1.540 18089
284 1 1 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.255 -0.185 18089
285 1 1 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.580 0.690 18089
286 1 1 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.274 -1.614 18089
287 1 1 . 1 1 60 60 GLU H H 60 7.430 7.430 7.518 -0.088 18089
288 1 1 . 1 1 61 61 LEU N N 61 116.920 116.920 120.134 -3.214 18089
289 1 1 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.018 -0.068 18089
290 1 1 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.787 -0.517 18089
291 1 1 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.411 -0.861 18089
292 1 1 . 1 1 61 61 LEU H H 61 7.580 7.580 8.388 -0.808 18089
293 1 1 . 1 1 62 62 ASP N N 62 116.060 116.060 117.162 -1.102 18089
294 1 1 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.430 0.030 18089
295 1 1 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.568 -0.408 18089
296 1 1 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.056 0.584 18089
297 1 1 . 1 1 62 62 ASP H H 62 7.610 7.610 7.853 -0.243 18089
298 1 1 . 1 1 63 63 GLU N N 63 118.870 118.870 115.523 3.347 18089
299 1 1 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.396 -0.296 18089
300 1 1 . 1 1 63 63 GLU CA C 63 58.040 58.040 56.644 1.396 18089
301 1 1 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.660 0.390 18089
302 1 1 . 1 1 63 63 GLU H H 63 8.120 8.120 7.843 0.277 18089
303 1 1 . 1 1 64 64 ASN N N 64 117.720 117.720 117.258 0.462 18089
304 1 1 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.862 0.298 18089
305 1 1 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.238 -1.308 18089
306 1 1 . 1 1 64 64 ASN CB C 64 38.650 38.650 40.024 -1.374 18089
307 1 1 . 1 1 64 64 ASN H H 64 7.720 7.720 7.741 -0.021 18089
308 1 1 . 1 1 65 65 GLY N N 65 107.110 107.110 110.421 -3.311 18089
309 1 1 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.299 0.611 18089
310 1 1 . 1 1 65 65 GLY H H 65 7.750 7.750 8.139 -0.389 18089
311 1 1 . 1 1 66 66 ASP N N 66 115.600 115.600 120.640 -5.040 18089
312 1 1 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.497 0.343 18089
313 1 1 . 1 1 66 66 ASP CA C 66 54.050 54.050 55.479 -1.429 18089
314 1 1 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.301 0.298 18089
315 1 1 . 1 1 66 66 ASP H H 66 8.320 8.320 8.576 -0.256 18089
316 1 1 . 1 1 67 67 GLY N N 67 109.220 109.220 108.268 0.952 18089
317 1 1 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.920 -0.110 18089
318 1 1 . 1 1 67 67 GLY H H 67 8.260 8.260 7.306 0.954 18089
319 1 1 . 1 1 68 68 GLU N N 68 117.450 117.450 118.516 -1.066 18089
320 1 1 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.996 0.254 18089
321 1 1 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.861 -0.891 18089
322 1 1 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.113 1.807 18089
323 1 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.333 0.167 18089
324 1 1 . 1 1 69 69 VAL N N 69 115.390 115.390 117.211 -1.821 18089
325 1 1 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.555 0.415 18089
326 1 1 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.643 -0.513 18089
327 1 1 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.947 0.143 18089
328 1 1 . 1 1 69 69 VAL H H 69 9.190 9.190 9.150 0.040 18089
329 1 1 . 1 1 70 70 ASP N N 70 120.970 120.970 117.727 3.243 18089
330 1 1 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.267 0.303 18089
331 1 1 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.910 -1.870 18089
332 1 1 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.200 -0.460 18089
333 1 1 . 1 1 70 70 ASP H H 70 8.300 8.300 8.129 0.171 18089
334 1 1 . 1 1 71 71 PHE N N 71 119.360 119.360 118.934 0.426 18089
335 1 1 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.239 0.241 18089
336 1 1 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.190 0.310 18089
337 1 1 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.838 0.762 18089
338 1 1 . 1 1 71 71 PHE H H 71 9.520 9.520 8.957 0.563 18089
339 1 1 . 1 1 72 72 GLN N N 72 116.880 116.880 118.596 -1.716 18089
340 1 1 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.782 -0.362 18089
341 1 1 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.784 1.996 18089
342 1 1 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.531 0.449 18089
343 1 1 . 1 1 72 72 GLN H H 72 8.180 8.180 8.120 0.060 18089
344 1 1 . 1 1 73 73 GLU N N 73 119.720 119.720 119.943 -0.223 18089
345 1 1 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.025 -0.035 18089
346 1 1 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.691 0.499 18089
347 1 1 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.420 1.050 18089
348 1 1 . 1 1 73 73 GLU H H 73 8.250 8.250 7.922 0.328 18089
349 1 1 . 1 1 74 74 TYR N N 74 122.440 122.440 120.315 2.125 18089
350 1 1 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.149 0.191 18089
351 1 1 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.091 -0.821 18089
352 1 1 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.162 -1.342 18089
353 1 1 . 1 1 74 74 TYR H H 74 8.250 8.250 8.069 0.181 18089
354 1 1 . 1 1 75 75 VAL N N 75 120.220 120.220 118.069 2.151 18089
355 1 1 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.466 -0.806 18089
356 1 1 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.179 1.801 18089
357 1 1 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.026 -0.546 18089
358 1 1 . 1 1 75 75 VAL H H 75 8.010 8.010 7.231 0.779 18089
359 1 1 . 1 1 76 76 VAL N N 76 119.350 119.350 120.384 -1.034 18089
360 1 1 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.719 -0.369 18089
361 1 1 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.238 1.372 18089
362 1 1 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.372 0.338 18089
363 1 1 . 1 1 76 76 VAL H H 76 7.540 7.540 8.094 -0.554 18089
364 1 1 . 1 1 77 77 LEU N N 77 121.420 121.420 120.928 0.492 18089
365 1 1 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.869 0.311 18089
366 1 1 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.442 -0.182 18089
367 1 1 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.631 0.319 18089
368 1 1 . 1 1 77 77 LEU H H 77 7.760 7.760 8.123 -0.363 18089
369 1 1 . 1 1 78 78 VAL N N 78 119.530 119.530 114.185 5.345 18089
370 1 1 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.658 -0.218 18089
371 1 1 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.461 1.769 18089
372 1 1 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.413 -0.003 18089
373 1 1 . 1 1 78 78 VAL H H 78 8.370 8.370 7.118 1.252 18089
374 1 1 . 1 1 79 79 ALA N N 79 125.030 125.030 122.908 2.122 18089
375 1 1 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.024 0.006 18089
376 1 1 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.221 1.849 18089
377 1 1 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.492 -0.472 18089
378 1 1 . 1 1 79 79 ALA H H 79 9.070 9.070 7.196 1.874 18089
379 1 1 . 1 1 80 80 ALA N N 80 122.060 122.060 121.397 0.663 18089
380 1 1 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.880 0.110 18089
381 1 1 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.919 0.461 18089
382 1 1 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.138 -0.578 18089
383 1 1 . 1 1 80 80 ALA H H 80 8.350 8.350 8.508 -0.158 18089
384 1 1 . 1 1 81 81 LEU N N 81 117.650 117.650 116.315 1.335 18089
385 1 1 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.753 0.297 18089
386 1 1 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.216 0.474 18089
387 1 1 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.557 0.273 18089
388 1 1 . 1 1 81 81 LEU H H 81 8.060 8.060 7.381 0.679 18089
389 1 1 . 1 1 82 82 THR N N 82 117.560 117.560 115.641 1.919 18089
390 1 1 . 1 1 82 82 THR HA H 82 3.680 3.680 2.560 1.120 18089
391 1 1 . 1 1 82 82 THR CA C 82 68.820 68.820 66.457 2.363 18089
392 1 1 . 1 1 82 82 THR CB C 82 67.570 67.570 68.398 -0.828 18089
393 1 1 . 1 1 82 82 THR H H 82 8.320 8.320 6.919 1.401 18089
394 1 1 . 1 1 83 83 VAL N N 83 121.390 121.390 117.977 3.413 18089
395 1 1 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.541 -0.451 18089
396 1 1 . 1 1 83 83 VAL CA C 83 65.120 65.120 66.017 -0.897 18089
397 1 1 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.698 0.181 18089
398 1 1 . 1 1 83 83 VAL H H 83 8.000 8.000 7.956 0.044 18089
399 1 1 . 1 1 84 84 ALA N N 84 116.970 116.970 122.278 -5.308 18089
400 1 1 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.986 0.594 18089
401 1 1 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.890 -1.250 18089
402 1 1 . 1 1 84 84 ALA CB C 84 20.820 20.820 17.803 3.017 18089
403 1 1 . 1 1 84 84 ALA H H 84 7.100 7.100 7.503 -0.403 18089
404 1 1 . 1 1 85 85 CYS N N 85 112.170 112.170 114.667 -2.497 18089
405 1 1 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.427 0.113 18089
406 1 1 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.621 0.709 18089
407 1 1 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.434 3.955 18089
408 1 1 . 1 1 85 85 CYS H H 85 7.360 7.360 7.503 -0.143 18089
409 1 1 . 1 1 86 86 ASN N N 86 118.980 118.980 120.463 -1.483 18089
410 1 1 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.806 -0.326 18089
411 1 1 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.623 -0.873 18089
412 1 1 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.779 3.331 18089
413 1 1 . 1 1 86 86 ASN H H 86 8.440 8.440 8.558 -0.118 18089
414 1 1 . 1 1 87 87 ASN N N 87 124.820 124.820 119.783 5.037 18089
415 1 1 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.162 0.188 18089
416 1 1 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.487 1.003 18089
417 1 1 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.793 0.537 18089
418 1 1 . 1 1 87 87 ASN H H 87 9.210 9.210 8.239 0.971 18089
419 1 1 . 1 1 88 88 PHE N N 88 120.560 120.560 120.823 -0.263 18089
420 1 1 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.144 0.966 18089
421 1 1 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.938 0.542 18089
422 1 1 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.784 0.676 18089
423 1 1 . 1 1 88 88 PHE H H 88 8.690 8.690 7.675 1.015 18089
424 1 1 . 1 1 89 89 PHE N N 89 112.650 112.650 117.911 -5.261 18089
425 1 1 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.317 -0.557 18089
426 1 1 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.822 0.178 18089
427 1 1 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.137 0.883 18089
428 1 1 . 1 1 89 89 PHE H H 89 7.440 7.440 8.363 -0.923 18089
429 1 1 . 1 1 90 90 TRP N N 90 118.650 118.650 118.487 0.163 18089
430 1 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.570 0.020 18089
431 1 1 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.997 1.303 18089
432 1 1 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.651 4.800 18089
433 1 1 . 1 1 90 90 TRP H H 90 7.360 7.360 7.288 0.072 18089
434 1 1 . 1 1 91 91 GLU N N 91 121.410 121.410 120.332 1.078 18089
435 1 1 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.156 0.194 18089
436 1 1 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.588 -0.098 18089
437 1 1 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.076 0.393 18089
438 1 1 . 1 1 91 91 GLU H H 91 7.820 7.820 7.887 -0.067 18089
439 1 1 . 1 1 92 92 ASN N N 92 120.680 120.680 120.859 -0.179 18089
440 1 1 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.585 0.145 18089
441 1 1 . 1 1 92 92 ASN CA C 92 52.820 52.820 54.573 -1.753 18089
442 1 1 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.882 0.128 18089
443 1 1 . 1 1 92 92 ASN H H 92 8.590 8.590 8.606 -0.016 18089
444 1 2 . 1 1 2 2 SER N N 2 118.700 118.700 116.340 2.360 18089
445 1 2 . 1 1 2 2 SER HA H 2 4.680 4.680 4.620 0.060 18089
446 1 2 . 1 1 2 2 SER CA C 2 57.280 57.280 57.571 -0.291 18089
447 1 2 . 1 1 2 2 SER CB C 2 65.190 65.190 64.757 0.433 18089
448 1 2 . 1 1 2 2 SER H H 2 9.250 9.250 8.247 1.003 18089
449 1 2 . 1 1 3 3 GLU N N 3 122.910 122.910 121.829 1.081 18089
450 1 2 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.112 -0.002 18089
451 1 2 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.980 1.500 18089
452 1 2 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.834 -0.824 18089
453 1 2 . 1 1 3 3 GLU H H 3 9.250 9.250 8.701 0.549 18089
454 1 2 . 1 1 4 4 LEU N N 4 121.150 121.150 117.381 3.769 18089
455 1 2 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.147 -0.097 18089
456 1 2 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.539 0.151 18089
457 1 2 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.064 1.086 18089
458 1 2 . 1 1 4 4 LEU H H 4 8.940 8.940 7.901 1.039 18089
459 1 2 . 1 1 5 5 GLU N N 5 118.630 118.630 119.389 -0.759 18089
460 1 2 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.028 -0.788 18089
461 1 2 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.414 0.295 18089
462 1 2 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.900 0.070 18089
463 1 2 . 1 1 5 5 GLU H H 5 7.840 7.840 8.726 -0.886 18089
464 1 2 . 1 1 6 6 THR N N 6 116.040 116.040 115.377 0.663 18089
465 1 2 . 1 1 6 6 THR HA H 6 4.000 4.000 4.035 -0.035 18089
466 1 2 . 1 1 6 6 THR CA C 6 66.620 66.620 64.954 1.666 18089
467 1 2 . 1 1 6 6 THR CB C 6 68.650 68.650 68.592 0.058 18089
468 1 2 . 1 1 6 6 THR H H 6 8.430 8.430 7.775 0.655 18089
469 1 2 . 1 1 7 7 ALA N N 7 125.730 125.730 125.167 0.563 18089
470 1 2 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.071 0.199 18089
471 1 2 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.984 0.606 18089
472 1 2 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.486 -0.336 18089
473 1 2 . 1 1 7 7 ALA H H 7 8.290 8.290 7.682 0.608 18089
474 1 2 . 1 1 8 8 MET N N 8 115.120 115.120 116.284 -1.164 18089
475 1 2 . 1 1 8 8 MET HA H 8 4.870 4.870 4.135 0.735 18089
476 1 2 . 1 1 8 8 MET CA C 8 56.540 56.540 58.925 -2.385 18089
477 1 2 . 1 1 8 8 MET CB C 8 28.950 28.950 31.879 -2.929 18089
478 1 2 . 1 1 8 8 MET H H 8 8.100 8.100 7.572 0.528 18089
479 1 2 . 1 1 9 9 GLU N N 9 120.560 120.560 118.175 2.385 18089
480 1 2 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.954 0.156 18089
481 1 2 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.385 1.095 18089
482 1 2 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.830 0.010 18089
483 1 2 . 1 1 9 9 GLU H H 9 8.710 8.710 7.842 0.868 18089
484 1 2 . 1 1 10 10 THR N N 10 118.800 118.800 113.488 5.312 18089
485 1 2 . 1 1 10 10 THR HA H 10 4.120 4.120 4.145 -0.025 18089
486 1 2 . 1 1 10 10 THR CA C 10 67.230 67.230 65.306 1.924 18089
487 1 2 . 1 1 10 10 THR CB C 10 67.570 67.570 68.556 -0.986 18089
488 1 2 . 1 1 10 10 THR H H 10 8.470 8.470 7.879 0.591 18089
489 1 2 . 1 1 11 11 LEU N N 11 121.860 121.860 121.486 0.374 18089
490 1 2 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.316 -0.206 18089
491 1 2 . 1 1 11 11 LEU CA C 11 60.480 60.480 58.098 2.382 18089
492 1 2 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.776 1.164 18089
493 1 2 . 1 1 11 11 LEU H H 11 8.340 8.340 7.771 0.569 18089
494 1 2 . 1 1 12 12 ILE N N 12 121.270 121.270 117.234 4.036 18089
495 1 2 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.165 -0.615 18089
496 1 2 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.522 1.638 18089
497 1 2 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.989 0.411 18089
498 1 2 . 1 1 12 12 ILE H H 12 8.480 8.480 7.841 0.639 18089
499 1 2 . 1 1 13 13 ASN N N 13 120.510 120.510 120.454 0.056 18089
500 1 2 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.464 -0.114 18089
501 1 2 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.341 0.149 18089
502 1 2 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.718 0.222 18089
503 1 2 . 1 1 13 13 ASN H H 13 8.690 8.690 8.568 0.122 18089
504 1 2 . 1 1 14 14 VAL N N 14 121.990 121.990 118.419 3.571 18089
505 1 2 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.996 -0.126 18089
506 1 2 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.573 1.977 18089
507 1 2 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.533 -0.823 18089
508 1 2 . 1 1 14 14 VAL H H 14 8.880 8.880 7.470 1.410 18089
509 1 2 . 1 1 15 15 PHE N N 15 120.470 120.470 120.390 0.080 18089
510 1 2 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.751 -0.181 18089
511 1 2 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.619 1.861 18089
512 1 2 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.228 0.272 18089
513 1 2 . 1 1 15 15 PHE H H 15 7.480 7.480 7.742 -0.262 18089
514 1 2 . 1 1 16 16 HIS N N 16 118.280 118.280 116.984 1.296 18089
515 1 2 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.277 0.973 18089
516 1 2 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.601 -2.631 18089
517 1 2 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.392 -0.262 18089
518 1 2 . 1 1 16 16 HIS H H 16 9.270 9.270 8.318 0.952 18089
519 1 2 . 1 1 17 17 ALA N N 17 121.080 121.080 120.096 0.984 18089
520 1 2 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.156 -0.316 18089
521 1 2 . 1 1 17 17 ALA CA C 17 54.440 54.440 53.503 0.937 18089
522 1 2 . 1 1 17 17 ALA CB C 17 17.600 17.600 19.716 -2.116 18089
523 1 2 . 1 1 17 17 ALA H H 17 8.160 8.160 7.385 0.775 18089
524 1 2 . 1 1 18 18 HIS N N 18 112.570 112.570 114.204 -1.634 18089
525 1 2 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.536 -0.186 18089
526 1 2 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.310 1.180 18089
527 1 2 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.850 0.140 18089
528 1 2 . 1 1 18 18 HIS H H 18 7.410 7.410 7.552 -0.142 18089
529 1 2 . 1 1 19 19 SER HA H 19 4.110 4.110 4.214 -0.104 18089
530 1 2 . 1 1 19 19 SER CA C 19 60.480 60.480 58.462 2.018 18089
531 1 2 . 1 1 19 19 SER CB C 19 61.800 61.800 63.330 -1.530 18089
532 1 2 . 1 1 20 20 GLY N N 20 106.720 106.720 112.691 -5.971 18089
533 1 2 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.248 -0.008 18089
534 1 2 . 1 1 20 20 GLY H H 20 8.260 8.260 8.411 -0.151 18089
535 1 2 . 1 1 21 21 LYS N N 21 120.240 120.240 121.072 -0.832 18089
536 1 2 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.105 -0.115 18089
537 1 2 . 1 1 21 21 LYS CA C 21 58.460 58.460 57.890 0.570 18089
538 1 2 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.019 0.481 18089
539 1 2 . 1 1 21 21 LYS H H 21 7.640 7.640 8.097 -0.457 18089
540 1 2 . 1 1 22 22 GLU N N 22 117.060 117.060 119.007 -1.947 18089
541 1 2 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.122 0.308 18089
542 1 2 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.672 -2.292 18089
543 1 2 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.845 1.195 18089
544 1 2 . 1 1 22 22 GLU H H 22 7.840 7.840 8.411 -0.571 18089
545 1 2 . 1 1 23 23 GLY N N 23 107.770 107.770 105.587 2.183 18089
546 1 2 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.765 1.065 18089
547 1 2 . 1 1 23 23 GLY H H 23 8.100 8.100 8.280 -0.180 18089
548 1 2 . 1 1 24 24 ASP N N 24 122.990 122.990 120.845 2.145 18089
549 1 2 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.849 -0.269 18089
550 1 2 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.218 1.392 18089
551 1 2 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.586 -0.225 18089
552 1 2 . 1 1 24 24 ASP H H 24 8.190 8.190 7.999 0.191 18089
553 1 2 . 1 1 25 25 LYS N N 25 124.920 124.920 122.080 2.840 18089
554 1 2 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.125 -0.035 18089
555 1 2 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.457 -0.087 18089
556 1 2 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.631 -0.621 18089
557 1 2 . 1 1 25 25 LYS H H 25 8.440 8.440 8.554 -0.114 18089
558 1 2 . 1 1 26 26 TYR N N 26 117.220 117.220 115.582 1.638 18089
559 1 2 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.742 0.378 18089
560 1 2 . 1 1 26 26 TYR CA C 26 57.380 57.380 58.163 -0.783 18089
561 1 2 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.159 -0.459 18089
562 1 2 . 1 1 26 26 TYR H H 26 8.490 8.490 7.669 0.821 18089
563 1 2 . 1 1 27 27 LYS N N 27 118.300 118.300 118.375 -0.075 18089
564 1 2 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.502 -0.012 18089
565 1 2 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.389 -0.569 18089
566 1 2 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.880 0.580 18089
567 1 2 . 1 1 27 27 LYS H H 27 7.870 7.870 7.453 0.417 18089
568 1 2 . 1 1 28 28 LEU N N 28 121.380 121.380 121.419 -0.039 18089
569 1 2 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.663 0.067 18089
570 1 2 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.123 -1.303 18089
571 1 2 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.849 0.521 18089
572 1 2 . 1 1 28 28 LEU H H 28 8.830 8.830 8.997 -0.167 18089
573 1 2 . 1 1 29 29 SER N N 29 120.620 120.620 116.132 4.488 18089
574 1 2 . 1 1 29 29 SER HA H 29 5.030 5.030 4.913 0.117 18089
575 1 2 . 1 1 29 29 SER CA C 29 57.890 57.890 57.996 -0.106 18089
576 1 2 . 1 1 29 29 SER CB C 29 64.270 64.270 64.537 -0.267 18089
577 1 2 . 1 1 29 29 SER H H 29 8.940 8.940 8.571 0.369 18089
578 1 2 . 1 1 30 30 LYS N N 30 124.430 124.430 123.095 1.335 18089
579 1 2 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.120 -0.250 18089
580 1 2 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.182 1.448 18089
581 1 2 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.753 -1.043 18089
582 1 2 . 1 1 30 30 LYS H H 30 8.820 8.820 8.734 0.086 18089
583 1 2 . 1 1 31 31 LYS N N 31 120.230 120.230 118.916 1.314 18089
584 1 2 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.928 0.242 18089
585 1 2 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.252 0.089 18089
586 1 2 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.806 0.694 18089
587 1 2 . 1 1 31 31 LYS H H 31 8.730 8.730 7.682 1.048 18089
588 1 2 . 1 1 32 32 GLU N N 32 121.570 121.570 119.871 1.699 18089
589 1 2 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.044 0.056 18089
590 1 2 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.243 -1.203 18089
591 1 2 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.058 -0.389 18089
592 1 2 . 1 1 32 32 GLU H H 32 7.780 7.780 7.848 -0.068 18089
593 1 2 . 1 1 33 33 LEU N N 33 121.620 121.620 119.085 2.535 18089
594 1 2 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.897 0.103 18089
595 1 2 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.725 -0.435 18089
596 1 2 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.685 -1.185 18089
597 1 2 . 1 1 33 33 LEU H H 33 8.910 8.910 7.597 1.313 18089
598 1 2 . 1 1 34 34 LYS N N 34 120.460 120.460 119.352 1.108 18089
599 1 2 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.002 -0.382 18089
600 1 2 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.571 1.369 18089
601 1 2 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.224 -0.814 18089
602 1 2 . 1 1 34 34 LYS H H 34 8.440 8.440 8.033 0.407 18089
603 1 2 . 1 1 35 35 GLU N N 35 117.190 117.190 118.552 -1.362 18089
604 1 2 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.495 -0.425 18089
605 1 2 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.574 0.696 18089
606 1 2 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.836 -0.806 18089
607 1 2 . 1 1 35 35 GLU H H 35 7.200 7.200 7.974 -0.774 18089
608 1 2 . 1 1 36 36 LEU N N 36 122.760 122.760 118.886 3.874 18089
609 1 2 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.296 -0.536 18089
610 1 2 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.746 1.254 18089
611 1 2 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.209 1.071 18089
612 1 2 . 1 1 36 36 LEU H H 36 8.310 8.310 7.762 0.548 18089
613 1 2 . 1 1 37 37 LEU N N 37 120.220 120.220 118.856 1.364 18089
614 1 2 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.265 -0.585 18089
615 1 2 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.491 0.829 18089
616 1 2 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.525 -1.005 18089
617 1 2 . 1 1 37 37 LEU H H 37 8.820 8.820 8.413 0.407 18089
618 1 2 . 1 1 38 38 GLN N N 38 113.470 113.470 117.030 -3.560 18089
619 1 2 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.174 -0.414 18089
620 1 2 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.071 0.929 18089
621 1 2 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.397 0.463 18089
622 1 2 . 1 1 38 38 GLN H H 38 8.110 8.110 7.958 0.152 18089
623 1 2 . 1 1 39 39 THR N N 39 109.960 109.960 112.663 -2.703 18089
624 1 2 . 1 1 39 39 THR HA H 39 4.290 4.290 4.340 -0.050 18089
625 1 2 . 1 1 39 39 THR CA C 39 64.560 64.560 63.706 0.854 18089
626 1 2 . 1 1 39 39 THR CB C 39 69.750 69.750 69.225 0.524 18089
627 1 2 . 1 1 39 39 THR H H 39 7.720 7.720 7.634 0.086 18089
628 1 2 . 1 1 40 40 GLU N N 40 118.420 118.420 119.414 -0.994 18089
629 1 2 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.393 0.327 18089
630 1 2 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.796 -0.006 18089
631 1 2 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.081 -1.881 18089
632 1 2 . 1 1 40 40 GLU H H 40 9.020 9.020 7.932 1.088 18089
633 1 2 . 1 1 41 41 LEU N N 41 119.120 119.120 120.789 -1.669 18089
634 1 2 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.634 0.496 18089
635 1 2 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.387 -0.227 18089
636 1 2 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.653 -0.613 18089
637 1 2 . 1 1 41 41 LEU H H 41 7.760 7.760 7.672 0.088 18089
638 1 2 . 1 1 42 42 SER N N 42 112.960 112.960 116.160 -3.200 18089
639 1 2 . 1 1 42 42 SER HA H 42 3.870 3.870 4.419 -0.549 18089
640 1 2 . 1 1 42 42 SER CA C 42 61.630 61.630 57.305 4.325 18089
641 1 2 . 1 1 42 42 SER CB C 42 62.790 62.790 61.827 0.964 18089
642 1 2 . 1 1 42 42 SER H H 42 6.940 6.940 8.079 -1.139 18089
643 1 2 . 1 1 43 43 GLY N N 43 114.580 114.580 113.400 1.180 18089
644 1 2 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.653 1.127 18089
645 1 2 . 1 1 43 43 GLY H H 43 9.250 9.250 8.697 0.553 18089
646 1 2 . 1 1 44 44 PHE N N 44 124.560 124.560 118.654 5.906 18089
647 1 2 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.297 0.293 18089
648 1 2 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.653 -2.173 18089
649 1 2 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.777 -2.827 18089
650 1 2 . 1 1 44 44 PHE H H 44 8.320 8.320 7.645 0.675 18089
651 1 2 . 1 1 45 45 LEU N N 45 116.140 116.140 119.227 -3.087 18089
652 1 2 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.042 0.128 18089
653 1 2 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.932 -0.562 18089
654 1 2 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.721 0.529 18089
655 1 2 . 1 1 45 45 LEU H H 45 8.650 8.650 7.893 0.757 18089
656 1 2 . 1 1 46 46 ASP N N 46 119.960 119.960 117.759 2.201 18089
657 1 2 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.569 0.141 18089
658 1 2 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.352 0.288 18089
659 1 2 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.891 0.629 18089
660 1 2 . 1 1 46 46 ASP H H 46 7.730 7.730 8.018 -0.287 18089
661 1 2 . 1 1 47 47 ALA N N 47 124.260 124.260 120.382 3.878 18089
662 1 2 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.462 0.158 18089
663 1 2 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.471 -1.962 18089
664 1 2 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.544 -1.694 18089
665 1 2 . 1 1 47 47 ALA H H 47 7.740 7.740 7.451 0.289 18089
666 1 2 . 1 1 48 48 GLN N N 48 117.380 117.380 118.181 -0.801 18089
667 1 2 . 1 1 48 48 GLN HA H 48 4.090 4.090 3.988 0.102 18089
668 1 2 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.496 0.874 18089
669 1 2 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.787 2.683 18089
670 1 2 . 1 1 48 48 GLN H H 48 7.650 7.650 8.623 -0.973 18089
671 1 2 . 1 1 49 49 LYS N N 49 121.400 121.400 120.377 1.023 18089
672 1 2 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.305 -0.175 18089
673 1 2 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.311 -0.071 18089
674 1 2 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.979 -2.059 18089
675 1 2 . 1 1 49 49 LYS H H 49 8.000 8.000 8.200 -0.200 18089
676 1 2 . 1 1 50 50 ASP N N 50 119.180 119.180 122.391 -3.211 18089
677 1 2 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.857 -0.197 18089
678 1 2 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.986 -2.386 18089
679 1 2 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.984 -0.124 18089
680 1 2 . 1 1 50 50 ASP H H 50 7.500 7.500 7.859 -0.359 18089
681 1 2 . 1 1 51 51 VAL N N 51 122.100 122.100 126.045 -3.945 18089
682 1 2 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.683 0.177 18089
683 1 2 . 1 1 51 51 VAL CA C 51 64.750 64.750 65.967 -1.217 18089
684 1 2 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.919 0.050 18089
685 1 2 . 1 1 51 51 VAL H H 51 7.670 7.670 8.194 -0.524 18089
686 1 2 . 1 1 52 52 ASP N N 52 119.490 119.490 119.981 -0.491 18089
687 1 2 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.365 -0.015 18089
688 1 2 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.453 -0.293 18089
689 1 2 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.121 0.479 18089
690 1 2 . 1 1 52 52 ASP H H 52 8.130 8.130 8.389 -0.259 18089
691 1 2 . 1 1 53 53 ALA N N 53 122.220 122.220 121.309 0.911 18089
692 1 2 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.230 -0.210 18089
693 1 2 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.680 -0.120 18089
694 1 2 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.762 -0.022 18089
695 1 2 . 1 1 53 53 ALA H H 53 7.540 7.540 7.598 -0.058 18089
696 1 2 . 1 1 54 54 VAL N N 54 118.080 118.080 118.959 -0.879 18089
697 1 2 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.593 -0.243 18089
698 1 2 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.890 -0.310 18089
699 1 2 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.089 0.631 18089
700 1 2 . 1 1 54 54 VAL H H 54 7.310 7.310 8.126 -0.816 18089
701 1 2 . 1 1 55 55 ASP N N 55 119.630 119.630 119.318 0.312 18089
702 1 2 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.446 -0.166 18089
703 1 2 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.649 -0.269 18089
704 1 2 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.973 -0.063 18089
705 1 2 . 1 1 55 55 ASP H H 55 8.530 8.530 8.804 -0.274 18089
706 1 2 . 1 1 56 56 LYS N N 56 118.060 118.060 119.405 -1.345 18089
707 1 2 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.112 -0.182 18089
708 1 2 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.284 0.536 18089
709 1 2 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.574 -0.074 18089
710 1 2 . 1 1 56 56 LYS H H 56 7.950 7.950 7.270 0.680 18089
711 1 2 . 1 1 57 57 VAL N N 57 119.310 119.310 121.057 -1.747 18089
712 1 2 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.935 -0.215 18089
713 1 2 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.436 1.624 18089
714 1 2 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.328 -0.238 18089
715 1 2 . 1 1 57 57 VAL H H 57 7.280 7.280 7.887 -0.607 18089
716 1 2 . 1 1 58 58 MET N N 58 115.980 115.980 119.253 -3.273 18089
717 1 2 . 1 1 58 58 MET HA H 58 4.090 4.090 4.065 0.025 18089
718 1 2 . 1 1 58 58 MET CA C 58 57.370 57.370 58.890 -1.520 18089
719 1 2 . 1 1 58 58 MET CB C 58 31.310 31.310 31.773 -0.463 18089
720 1 2 . 1 1 58 58 MET H H 58 8.360 8.360 8.313 0.047 18089
721 1 2 . 1 1 59 59 LYS N N 59 118.900 118.900 116.958 1.942 18089
722 1 2 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.013 0.057 18089
723 1 2 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.513 -0.243 18089
724 1 2 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.584 0.926 18089
725 1 2 . 1 1 59 59 LYS H H 59 8.620 8.620 7.628 0.992 18089
726 1 2 . 1 1 60 60 GLU N N 60 119.830 119.830 121.333 -1.503 18089
727 1 2 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.269 -0.199 18089
728 1 2 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.785 0.485 18089
729 1 2 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.099 -1.439 18089
730 1 2 . 1 1 60 60 GLU H H 60 7.430 7.430 7.464 -0.034 18089
731 1 2 . 1 1 61 61 LEU N N 61 116.920 116.920 121.275 -4.355 18089
732 1 2 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.050 -0.100 18089
733 1 2 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.746 -0.476 18089
734 1 2 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.204 -0.654 18089
735 1 2 . 1 1 61 61 LEU H H 61 7.580 7.580 8.653 -1.073 18089
736 1 2 . 1 1 62 62 ASP N N 62 116.060 116.060 118.648 -2.588 18089
737 1 2 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.403 0.057 18089
738 1 2 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.926 -0.766 18089
739 1 2 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.040 0.600 18089
740 1 2 . 1 1 62 62 ASP H H 62 7.610 7.610 8.194 -0.584 18089
741 1 2 . 1 1 63 63 GLU N N 63 118.870 118.870 116.060 2.810 18089
742 1 2 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.342 -0.242 18089
743 1 2 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.592 0.448 18089
744 1 2 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.258 -0.208 18089
745 1 2 . 1 1 63 63 GLU H H 63 8.120 8.120 7.683 0.437 18089
746 1 2 . 1 1 64 64 ASN N N 64 117.720 117.720 118.594 -0.874 18089
747 1 2 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.837 0.323 18089
748 1 2 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.700 -2.769 18089
749 1 2 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.075 -0.425 18089
750 1 2 . 1 1 64 64 ASN H H 64 7.720 7.720 8.683 -0.963 18089
751 1 2 . 1 1 65 65 GLY N N 65 107.110 107.110 109.828 -2.718 18089
752 1 2 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.374 0.536 18089
753 1 2 . 1 1 65 65 GLY H H 65 7.750 7.750 8.632 -0.882 18089
754 1 2 . 1 1 66 66 ASP N N 66 115.600 115.600 121.276 -5.676 18089
755 1 2 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.709 0.131 18089
756 1 2 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.829 0.221 18089
757 1 2 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.882 -0.282 18089
758 1 2 . 1 1 66 66 ASP H H 66 8.320 8.320 7.678 0.642 18089
759 1 2 . 1 1 67 67 GLY N N 67 109.220 109.220 108.201 1.019 18089
760 1 2 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.677 0.133 18089
761 1 2 . 1 1 67 67 GLY H H 67 8.260 8.260 8.063 0.197 18089
762 1 2 . 1 1 68 68 GLU N N 68 117.450 117.450 118.826 -1.376 18089
763 1 2 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.050 0.200 18089
764 1 2 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.253 -0.283 18089
765 1 2 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.113 0.807 18089
766 1 2 . 1 1 68 68 GLU H H 68 8.500 8.500 8.372 0.128 18089
767 1 2 . 1 1 69 69 VAL N N 69 115.390 115.390 114.680 0.710 18089
768 1 2 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.629 0.341 18089
769 1 2 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.469 -0.339 18089
770 1 2 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.043 0.047 18089
771 1 2 . 1 1 69 69 VAL H H 69 9.190 9.190 9.135 0.055 18089
772 1 2 . 1 1 70 70 ASP N N 70 120.970 120.970 117.294 3.676 18089
773 1 2 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.208 0.362 18089
774 1 2 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.591 -1.551 18089
775 1 2 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.979 -1.239 18089
776 1 2 . 1 1 70 70 ASP H H 70 8.300 8.300 8.023 0.277 18089
777 1 2 . 1 1 71 71 PHE N N 71 119.360 119.360 119.981 -0.621 18089
778 1 2 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.305 0.175 18089
779 1 2 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.103 0.397 18089
780 1 2 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.636 0.964 18089
781 1 2 . 1 1 71 71 PHE H H 71 9.520 9.520 8.841 0.679 18089
782 1 2 . 1 1 72 72 GLN N N 72 116.880 116.880 119.274 -2.394 18089
783 1 2 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.820 -0.400 18089
784 1 2 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.107 1.673 18089
785 1 2 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.442 0.538 18089
786 1 2 . 1 1 72 72 GLN H H 72 8.180 8.180 8.463 -0.283 18089
787 1 2 . 1 1 73 73 GLU N N 73 119.720 119.720 120.051 -0.331 18089
788 1 2 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.024 -0.034 18089
789 1 2 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.748 0.442 18089
790 1 2 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.457 1.013 18089
791 1 2 . 1 1 73 73 GLU H H 73 8.250 8.250 8.029 0.221 18089
792 1 2 . 1 1 74 74 TYR N N 74 122.440 122.440 120.090 2.350 18089
793 1 2 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.154 0.186 18089
794 1 2 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.180 -0.910 18089
795 1 2 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.148 -1.328 18089
796 1 2 . 1 1 74 74 TYR H H 74 8.250 8.250 7.983 0.267 18089
797 1 2 . 1 1 75 75 VAL N N 75 120.220 120.220 117.812 2.408 18089
798 1 2 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.320 -0.660 18089
799 1 2 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.834 1.146 18089
800 1 2 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.458 -0.978 18089
801 1 2 . 1 1 75 75 VAL H H 75 8.010 8.010 7.146 0.864 18089
802 1 2 . 1 1 76 76 VAL N N 76 119.350 119.350 120.294 -0.944 18089
803 1 2 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.693 -0.343 18089
804 1 2 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.329 1.280 18089
805 1 2 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.919 -0.209 18089
806 1 2 . 1 1 76 76 VAL H H 76 7.540 7.540 7.833 -0.293 18089
807 1 2 . 1 1 77 77 LEU N N 77 121.420 121.420 120.864 0.556 18089
808 1 2 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.890 0.290 18089
809 1 2 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.538 -0.278 18089
810 1 2 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.696 0.254 18089
811 1 2 . 1 1 77 77 LEU H H 77 7.760 7.760 8.007 -0.247 18089
812 1 2 . 1 1 78 78 VAL N N 78 119.530 119.530 114.817 4.713 18089
813 1 2 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.691 -0.251 18089
814 1 2 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.554 1.676 18089
815 1 2 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.268 0.142 18089
816 1 2 . 1 1 78 78 VAL H H 78 8.370 8.370 7.123 1.247 18089
817 1 2 . 1 1 79 79 ALA N N 79 125.030 125.030 122.528 2.502 18089
818 1 2 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.065 -0.035 18089
819 1 2 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.136 1.934 18089
820 1 2 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.412 -0.392 18089
821 1 2 . 1 1 79 79 ALA H H 79 9.070 9.070 7.142 1.928 18089
822 1 2 . 1 1 80 80 ALA N N 80 122.060 122.060 121.478 0.582 18089
823 1 2 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.880 0.110 18089
824 1 2 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.945 0.435 18089
825 1 2 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.168 -0.608 18089
826 1 2 . 1 1 80 80 ALA H H 80 8.350 8.350 8.501 -0.151 18089
827 1 2 . 1 1 81 81 LEU N N 81 117.650 117.650 115.972 1.678 18089
828 1 2 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.796 0.254 18089
829 1 2 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.416 0.274 18089
830 1 2 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.329 0.501 18089
831 1 2 . 1 1 81 81 LEU H H 81 8.060 8.060 7.360 0.700 18089
832 1 2 . 1 1 82 82 THR N N 82 117.560 117.560 115.446 2.114 18089
833 1 2 . 1 1 82 82 THR HA H 82 3.680 3.680 2.516 1.164 18089
834 1 2 . 1 1 82 82 THR CA C 82 68.820 68.820 66.147 2.673 18089
835 1 2 . 1 1 82 82 THR CB C 82 67.570 67.570 68.435 -0.865 18089
836 1 2 . 1 1 82 82 THR H H 82 8.320 8.320 6.836 1.484 18089
837 1 2 . 1 1 83 83 VAL N N 83 121.390 121.390 118.285 3.105 18089
838 1 2 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.572 -0.482 18089
839 1 2 . 1 1 83 83 VAL CA C 83 65.120 65.120 66.161 -1.041 18089
840 1 2 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.453 0.427 18089
841 1 2 . 1 1 83 83 VAL H H 83 8.000 8.000 7.845 0.155 18089
842 1 2 . 1 1 84 84 ALA N N 84 116.970 116.970 122.190 -5.220 18089
843 1 2 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.067 0.513 18089
844 1 2 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.963 -1.323 18089
845 1 2 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.128 2.692 18089
846 1 2 . 1 1 84 84 ALA H H 84 7.100 7.100 7.473 -0.373 18089
847 1 2 . 1 1 85 85 CYS N N 85 112.170 112.170 114.912 -2.742 18089
848 1 2 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.613 -0.073 18089
849 1 2 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.254 1.076 18089
850 1 2 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.200 4.190 18089
851 1 2 . 1 1 85 85 CYS H H 85 7.360 7.360 7.507 -0.147 18089
852 1 2 . 1 1 86 86 ASN N N 86 118.980 118.980 121.018 -2.038 18089
853 1 2 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.581 -0.101 18089
854 1 2 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.486 -0.736 18089
855 1 2 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.695 3.415 18089
856 1 2 . 1 1 86 86 ASN H H 86 8.440 8.440 8.358 0.082 18089
857 1 2 . 1 1 87 87 ASN N N 87 124.820 124.820 119.394 5.426 18089
858 1 2 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.072 0.278 18089
859 1 2 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.344 1.146 18089
860 1 2 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.586 0.744 18089
861 1 2 . 1 1 87 87 ASN H H 87 9.210 9.210 7.733 1.477 18089
862 1 2 . 1 1 88 88 PHE N N 88 120.560 120.560 120.363 0.197 18089
863 1 2 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.647 0.463 18089
864 1 2 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.729 0.751 18089
865 1 2 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.882 0.578 18089
866 1 2 . 1 1 88 88 PHE H H 88 8.690 8.690 7.648 1.042 18089
867 1 2 . 1 1 89 89 PHE N N 89 112.650 112.650 119.364 -6.714 18089
868 1 2 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.293 -0.533 18089
869 1 2 . 1 1 89 89 PHE CA C 89 59.000 59.000 57.738 1.262 18089
870 1 2 . 1 1 89 89 PHE CB C 89 39.020 39.020 39.443 -0.423 18089
871 1 2 . 1 1 89 89 PHE H H 89 7.440 7.440 8.151 -0.711 18089
872 1 2 . 1 1 90 90 TRP N N 90 118.650 118.650 118.328 0.322 18089
873 1 2 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.523 0.067 18089
874 1 2 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.237 1.063 18089
875 1 2 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.622 3.829 18089
876 1 2 . 1 1 90 90 TRP H H 90 7.360 7.360 7.302 0.058 18089
877 1 2 . 1 1 91 91 GLU N N 91 121.410 121.410 119.344 2.066 18089
878 1 2 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.332 0.018 18089
879 1 2 . 1 1 91 91 GLU CA C 91 56.490 56.490 55.554 0.936 18089
880 1 2 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.661 -0.191 18089
881 1 2 . 1 1 91 91 GLU H H 91 7.820 7.820 7.626 0.194 18089
882 1 2 . 1 1 92 92 ASN N N 92 120.680 120.680 120.031 0.649 18089
883 1 2 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.596 0.134 18089
884 1 2 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.106 -0.286 18089
885 1 2 . 1 1 92 92 ASN CB C 92 39.010 39.010 39.158 -0.148 18089
886 1 2 . 1 1 92 92 ASN H H 92 8.590 8.590 8.402 0.188 18089
887 1 3 . 1 1 2 2 SER N N 2 118.700 118.700 115.498 3.202 18089
888 1 3 . 1 1 2 2 SER HA H 2 4.680 4.680 4.502 0.178 18089
889 1 3 . 1 1 2 2 SER CA C 2 57.280 57.280 57.758 -0.478 18089
890 1 3 . 1 1 2 2 SER CB C 2 65.190 65.190 64.981 0.209 18089
891 1 3 . 1 1 2 2 SER H H 2 9.250 9.250 8.107 1.143 18089
892 1 3 . 1 1 3 3 GLU N N 3 122.910 122.910 120.998 1.912 18089
893 1 3 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.107 0.003 18089
894 1 3 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.893 1.587 18089
895 1 3 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.655 -0.645 18089
896 1 3 . 1 1 3 3 GLU H H 3 9.250 9.250 8.728 0.522 18089
897 1 3 . 1 1 4 4 LEU N N 4 121.150 121.150 115.971 5.179 18089
898 1 3 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.119 -0.069 18089
899 1 3 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.362 0.328 18089
900 1 3 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.131 1.019 18089
901 1 3 . 1 1 4 4 LEU H H 4 8.940 8.940 7.857 1.083 18089
902 1 3 . 1 1 5 5 GLU N N 5 118.630 118.630 119.594 -0.964 18089
903 1 3 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.073 -0.833 18089
904 1 3 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.044 0.666 18089
905 1 3 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.979 -0.009 18089
906 1 3 . 1 1 5 5 GLU H H 5 7.840 7.840 7.956 -0.116 18089
907 1 3 . 1 1 6 6 THR N N 6 116.040 116.040 115.723 0.317 18089
908 1 3 . 1 1 6 6 THR HA H 6 4.000 4.000 4.053 -0.053 18089
909 1 3 . 1 1 6 6 THR CA C 6 66.620 66.620 65.775 0.845 18089
910 1 3 . 1 1 6 6 THR CB C 6 68.650 68.650 68.294 0.356 18089
911 1 3 . 1 1 6 6 THR H H 6 8.430 8.430 7.792 0.638 18089
912 1 3 . 1 1 7 7 ALA N N 7 125.730 125.730 125.288 0.442 18089
913 1 3 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.103 0.167 18089
914 1 3 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.916 0.674 18089
915 1 3 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.445 -0.295 18089
916 1 3 . 1 1 7 7 ALA H H 7 8.290 8.290 7.611 0.679 18089
917 1 3 . 1 1 8 8 MET N N 8 115.120 115.120 116.191 -1.071 18089
918 1 3 . 1 1 8 8 MET HA H 8 4.870 4.870 4.099 0.771 18089
919 1 3 . 1 1 8 8 MET CA C 8 56.540 56.540 58.914 -2.374 18089
920 1 3 . 1 1 8 8 MET CB C 8 28.950 28.950 31.948 -2.998 18089
921 1 3 . 1 1 8 8 MET H H 8 8.100 8.100 7.585 0.515 18089
922 1 3 . 1 1 9 9 GLU N N 9 120.560 120.560 118.062 2.498 18089
923 1 3 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.951 0.159 18089
924 1 3 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.402 1.078 18089
925 1 3 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.862 -0.022 18089
926 1 3 . 1 1 9 9 GLU H H 9 8.710 8.710 7.845 0.865 18089
927 1 3 . 1 1 10 10 THR N N 10 118.800 118.800 113.424 5.376 18089
928 1 3 . 1 1 10 10 THR HA H 10 4.120 4.120 4.154 -0.034 18089
929 1 3 . 1 1 10 10 THR CA C 10 67.230 67.230 65.309 1.921 18089
930 1 3 . 1 1 10 10 THR CB C 10 67.570 67.570 68.595 -1.025 18089
931 1 3 . 1 1 10 10 THR H H 10 8.470 8.470 7.895 0.575 18089
932 1 3 . 1 1 11 11 LEU N N 11 121.860 121.860 121.335 0.525 18089
933 1 3 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.285 -0.175 18089
934 1 3 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.803 2.677 18089
935 1 3 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.585 1.355 18089
936 1 3 . 1 1 11 11 LEU H H 11 8.340 8.340 7.724 0.616 18089
937 1 3 . 1 1 12 12 ILE N N 12 121.270 121.270 117.824 3.446 18089
938 1 3 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.157 -0.607 18089
939 1 3 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.482 1.678 18089
940 1 3 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.801 0.599 18089
941 1 3 . 1 1 12 12 ILE H H 12 8.480 8.480 7.808 0.672 18089
942 1 3 . 1 1 13 13 ASN N N 13 120.510 120.510 120.166 0.344 18089
943 1 3 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.454 -0.104 18089
944 1 3 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.333 0.157 18089
945 1 3 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.675 0.265 18089
946 1 3 . 1 1 13 13 ASN H H 13 8.690 8.690 8.516 0.174 18089
947 1 3 . 1 1 14 14 VAL N N 14 121.990 121.990 118.371 3.619 18089
948 1 3 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.955 -0.085 18089
949 1 3 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.365 2.185 18089
950 1 3 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.433 -0.723 18089
951 1 3 . 1 1 14 14 VAL H H 14 8.880 8.880 7.378 1.502 18089
952 1 3 . 1 1 15 15 PHE N N 15 120.470 120.470 119.926 0.544 18089
953 1 3 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.684 -0.114 18089
954 1 3 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.826 1.654 18089
955 1 3 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.144 0.356 18089
956 1 3 . 1 1 15 15 PHE H H 15 7.480 7.480 7.697 -0.217 18089
957 1 3 . 1 1 16 16 HIS N N 16 118.280 118.280 116.473 1.807 18089
958 1 3 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.400 0.850 18089
959 1 3 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.272 -3.301 18089
960 1 3 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.624 -0.494 18089
961 1 3 . 1 1 16 16 HIS H H 16 9.270 9.270 8.348 0.922 18089
962 1 3 . 1 1 17 17 ALA N N 17 121.080 121.080 122.739 -1.659 18089
963 1 3 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.002 -0.162 18089
964 1 3 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.332 0.108 18089
965 1 3 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.657 -1.057 18089
966 1 3 . 1 1 17 17 ALA H H 17 8.160 8.160 7.425 0.735 18089
967 1 3 . 1 1 18 18 HIS N N 18 112.570 112.570 114.139 -1.569 18089
968 1 3 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.624 -0.274 18089
969 1 3 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.861 1.629 18089
970 1 3 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.847 1.143 18089
971 1 3 . 1 1 18 18 HIS H H 18 7.410 7.410 7.544 -0.134 18089
972 1 3 . 1 1 19 19 SER HA H 19 4.110 4.110 4.116 -0.006 18089
973 1 3 . 1 1 19 19 SER CA C 19 60.480 60.480 58.501 1.979 18089
974 1 3 . 1 1 19 19 SER CB C 19 61.800 61.800 62.372 -0.572 18089
975 1 3 . 1 1 20 20 GLY N N 20 106.720 106.720 113.369 -6.649 18089
976 1 3 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.102 0.138 18089
977 1 3 . 1 1 20 20 GLY H H 20 8.260 8.260 8.100 0.160 18089
978 1 3 . 1 1 21 21 LYS N N 21 120.240 120.240 121.114 -0.874 18089
979 1 3 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.009 -0.019 18089
980 1 3 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.324 0.136 18089
981 1 3 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.080 0.420 18089
982 1 3 . 1 1 21 21 LYS H H 21 7.640 7.640 7.519 0.121 18089
983 1 3 . 1 1 22 22 GLU N N 22 117.060 117.060 117.016 0.044 18089
984 1 3 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.149 0.281 18089
985 1 3 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.153 -1.773 18089
986 1 3 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.385 1.655 18089
987 1 3 . 1 1 22 22 GLU H H 22 7.840 7.840 8.188 -0.348 18089
988 1 3 . 1 1 23 23 GLY N N 23 107.770 107.770 106.269 1.501 18089
989 1 3 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.810 1.020 18089
990 1 3 . 1 1 23 23 GLY H H 23 8.100 8.100 7.639 0.461 18089
991 1 3 . 1 1 24 24 ASP N N 24 122.990 122.990 120.115 2.875 18089
992 1 3 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.858 -0.278 18089
993 1 3 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.650 0.960 18089
994 1 3 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.016 0.345 18089
995 1 3 . 1 1 24 24 ASP H H 24 8.190 8.190 7.887 0.303 18089
996 1 3 . 1 1 25 25 LYS N N 25 124.920 124.920 124.355 0.565 18089
997 1 3 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.929 0.161 18089
998 1 3 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.133 -0.763 18089
999 1 3 . 1 1 25 25 LYS CB C 25 32.010 32.010 31.897 0.113 18089
1000 1 3 . 1 1 25 25 LYS H H 25 8.440 8.440 8.643 -0.203 18089
1001 1 3 . 1 1 26 26 TYR N N 26 117.220 117.220 115.684 1.536 18089
1002 1 3 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.545 0.575 18089
1003 1 3 . 1 1 26 26 TYR CA C 26 57.380 57.380 59.330 -1.950 18089
1004 1 3 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.870 -1.170 18089
1005 1 3 . 1 1 26 26 TYR H H 26 8.490 8.490 7.658 0.832 18089
1006 1 3 . 1 1 27 27 LYS N N 27 118.300 118.300 116.601 1.699 18089
1007 1 3 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.306 0.184 18089
1008 1 3 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.069 -0.249 18089
1009 1 3 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.221 0.239 18089
1010 1 3 . 1 1 27 27 LYS H H 27 7.870 7.870 7.824 0.046 18089
1011 1 3 . 1 1 28 28 LEU N N 28 121.380 121.380 117.922 3.458 18089
1012 1 3 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.633 0.097 18089
1013 1 3 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.212 -1.392 18089
1014 1 3 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.776 0.594 18089
1015 1 3 . 1 1 28 28 LEU H H 28 8.830 8.830 8.639 0.191 18089
1016 1 3 . 1 1 29 29 SER N N 29 120.620 120.620 114.344 6.276 18089
1017 1 3 . 1 1 29 29 SER HA H 29 5.030 5.030 5.156 -0.126 18089
1018 1 3 . 1 1 29 29 SER CA C 29 57.890 57.890 57.003 0.887 18089
1019 1 3 . 1 1 29 29 SER CB C 29 64.270 64.270 65.564 -1.294 18089
1020 1 3 . 1 1 29 29 SER H H 29 8.940 8.940 8.574 0.366 18089
1021 1 3 . 1 1 30 30 LYS N N 30 124.430 124.430 122.222 2.208 18089
1022 1 3 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.116 -0.246 18089
1023 1 3 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.918 1.712 18089
1024 1 3 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.714 -1.004 18089
1025 1 3 . 1 1 30 30 LYS H H 30 8.820 8.820 8.301 0.519 18089
1026 1 3 . 1 1 31 31 LYS N N 31 120.230 120.230 118.197 2.033 18089
1027 1 3 . 1 1 31 31 LYS HA H 31 4.170 4.170 4.041 0.129 18089
1028 1 3 . 1 1 31 31 LYS CA C 31 59.340 59.340 58.992 0.348 18089
1029 1 3 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.957 0.543 18089
1030 1 3 . 1 1 31 31 LYS H H 31 8.730 8.730 7.774 0.956 18089
1031 1 3 . 1 1 32 32 GLU N N 32 121.570 121.570 119.725 1.845 18089
1032 1 3 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.143 -0.043 18089
1033 1 3 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.436 -0.396 18089
1034 1 3 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.375 -0.705 18089
1035 1 3 . 1 1 32 32 GLU H H 32 7.780 7.780 7.745 0.035 18089
1036 1 3 . 1 1 33 33 LEU N N 33 121.620 121.620 120.137 1.483 18089
1037 1 3 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.130 -0.130 18089
1038 1 3 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.457 -0.167 18089
1039 1 3 . 1 1 33 33 LEU CB C 33 40.500 40.500 42.001 -1.501 18089
1040 1 3 . 1 1 33 33 LEU H H 33 8.910 8.910 7.277 1.633 18089
1041 1 3 . 1 1 34 34 LYS N N 34 120.460 120.460 119.256 1.204 18089
1042 1 3 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.016 -0.396 18089
1043 1 3 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.651 1.289 18089
1044 1 3 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.259 -0.849 18089
1045 1 3 . 1 1 34 34 LYS H H 34 8.440 8.440 8.238 0.202 18089
1046 1 3 . 1 1 35 35 GLU N N 35 117.190 117.190 119.016 -1.826 18089
1047 1 3 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.416 -0.346 18089
1048 1 3 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.901 0.369 18089
1049 1 3 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.731 -0.701 18089
1050 1 3 . 1 1 35 35 GLU H H 35 7.200 7.200 7.629 -0.429 18089
1051 1 3 . 1 1 36 36 LEU N N 36 122.760 122.760 118.512 4.248 18089
1052 1 3 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.238 -0.478 18089
1053 1 3 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.825 1.175 18089
1054 1 3 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.695 0.585 18089
1055 1 3 . 1 1 36 36 LEU H H 36 8.310 8.310 7.551 0.759 18089
1056 1 3 . 1 1 37 37 LEU N N 37 120.220 120.220 118.791 1.429 18089
1057 1 3 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.331 -0.651 18089
1058 1 3 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.442 0.878 18089
1059 1 3 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.561 -1.041 18089
1060 1 3 . 1 1 37 37 LEU H H 37 8.820 8.820 8.367 0.453 18089
1061 1 3 . 1 1 38 38 GLN N N 38 113.470 113.470 117.054 -3.584 18089
1062 1 3 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.182 -0.422 18089
1063 1 3 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.073 0.927 18089
1064 1 3 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.418 0.443 18089
1065 1 3 . 1 1 38 38 GLN H H 38 8.110 8.110 7.987 0.123 18089
1066 1 3 . 1 1 39 39 THR N N 39 109.960 109.960 112.772 -2.812 18089
1067 1 3 . 1 1 39 39 THR HA H 39 4.290 4.290 4.356 -0.066 18089
1068 1 3 . 1 1 39 39 THR CA C 39 64.560 64.560 63.622 0.938 18089
1069 1 3 . 1 1 39 39 THR CB C 39 69.750 69.750 69.137 0.613 18089
1070 1 3 . 1 1 39 39 THR H H 39 7.720 7.720 7.596 0.124 18089
1071 1 3 . 1 1 40 40 GLU N N 40 118.420 118.420 119.460 -1.040 18089
1072 1 3 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.405 0.315 18089
1073 1 3 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.809 -0.019 18089
1074 1 3 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.073 -1.873 18089
1075 1 3 . 1 1 40 40 GLU H H 40 9.020 9.020 7.955 1.065 18089
1076 1 3 . 1 1 41 41 LEU N N 41 119.120 119.120 121.156 -2.036 18089
1077 1 3 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.631 0.499 18089
1078 1 3 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.389 -0.229 18089
1079 1 3 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.583 -0.543 18089
1080 1 3 . 1 1 41 41 LEU H H 41 7.760 7.760 7.702 0.058 18089
1081 1 3 . 1 1 42 42 SER N N 42 112.960 112.960 116.448 -3.488 18089
1082 1 3 . 1 1 42 42 SER HA H 42 3.870 3.870 4.415 -0.545 18089
1083 1 3 . 1 1 42 42 SER CA C 42 61.630 61.630 57.933 3.697 18089
1084 1 3 . 1 1 42 42 SER CB C 42 62.790 62.790 61.259 1.531 18089
1085 1 3 . 1 1 42 42 SER H H 42 6.940 6.940 8.029 -1.089 18089
1086 1 3 . 1 1 43 43 GLY N N 43 114.580 114.580 112.012 2.568 18089
1087 1 3 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.517 1.263 18089
1088 1 3 . 1 1 43 43 GLY H H 43 9.250 9.250 8.596 0.654 18089
1089 1 3 . 1 1 44 44 PHE N N 44 124.560 124.560 118.589 5.971 18089
1090 1 3 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.279 0.311 18089
1091 1 3 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.609 -2.130 18089
1092 1 3 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.653 -2.703 18089
1093 1 3 . 1 1 44 44 PHE H H 44 8.320 8.320 7.578 0.742 18089
1094 1 3 . 1 1 45 45 LEU N N 45 116.140 116.140 119.646 -3.506 18089
1095 1 3 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.037 0.133 18089
1096 1 3 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.878 -0.508 18089
1097 1 3 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.580 0.670 18089
1098 1 3 . 1 1 45 45 LEU H H 45 8.650 8.650 7.975 0.675 18089
1099 1 3 . 1 1 46 46 ASP N N 46 119.960 119.960 117.642 2.318 18089
1100 1 3 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.565 0.145 18089
1101 1 3 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.387 0.253 18089
1102 1 3 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.976 0.544 18089
1103 1 3 . 1 1 46 46 ASP H H 46 7.730 7.730 8.020 -0.290 18089
1104 1 3 . 1 1 47 47 ALA N N 47 124.260 124.260 120.543 3.717 18089
1105 1 3 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.495 0.125 18089
1106 1 3 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.461 -1.951 18089
1107 1 3 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.565 -1.715 18089
1108 1 3 . 1 1 47 47 ALA H H 47 7.740 7.740 7.538 0.202 18089
1109 1 3 . 1 1 48 48 GLN N N 48 117.380 117.380 117.990 -0.610 18089
1110 1 3 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.010 0.080 18089
1111 1 3 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.450 0.920 18089
1112 1 3 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.679 2.791 18089
1113 1 3 . 1 1 48 48 GLN H H 48 7.650 7.650 8.443 -0.793 18089
1114 1 3 . 1 1 49 49 LYS N N 49 121.400 121.400 120.279 1.121 18089
1115 1 3 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.361 -0.231 18089
1116 1 3 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.369 -0.129 18089
1117 1 3 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.938 -2.018 18089
1118 1 3 . 1 1 49 49 LYS H H 49 8.000 8.000 8.207 -0.207 18089
1119 1 3 . 1 1 50 50 ASP N N 50 119.180 119.180 122.592 -3.412 18089
1120 1 3 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.847 -0.187 18089
1121 1 3 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.639 -2.039 18089
1122 1 3 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.732 0.128 18089
1123 1 3 . 1 1 50 50 ASP H H 50 7.500 7.500 7.871 -0.371 18089
1124 1 3 . 1 1 51 51 VAL N N 51 122.100 122.100 124.418 -2.318 18089
1125 1 3 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.601 0.259 18089
1126 1 3 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.138 -1.387 18089
1127 1 3 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.954 0.016 18089
1128 1 3 . 1 1 51 51 VAL H H 51 7.670 7.670 8.106 -0.436 18089
1129 1 3 . 1 1 52 52 ASP N N 52 119.490 119.490 119.810 -0.320 18089
1130 1 3 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.363 -0.013 18089
1131 1 3 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.244 -0.084 18089
1132 1 3 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.450 0.150 18089
1133 1 3 . 1 1 52 52 ASP H H 52 8.130 8.130 8.643 -0.513 18089
1134 1 3 . 1 1 53 53 ALA N N 53 122.220 122.220 122.092 0.128 18089
1135 1 3 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.267 -0.247 18089
1136 1 3 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.834 -0.274 18089
1137 1 3 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.841 -0.101 18089
1138 1 3 . 1 1 53 53 ALA H H 53 7.540 7.540 7.511 0.029 18089
1139 1 3 . 1 1 54 54 VAL N N 54 118.080 118.080 118.828 -0.748 18089
1140 1 3 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.518 -0.168 18089
1141 1 3 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.741 -0.161 18089
1142 1 3 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.527 0.193 18089
1143 1 3 . 1 1 54 54 VAL H H 54 7.310 7.310 8.129 -0.819 18089
1144 1 3 . 1 1 55 55 ASP N N 55 119.630 119.630 119.485 0.145 18089
1145 1 3 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.440 -0.160 18089
1146 1 3 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.227 0.153 18089
1147 1 3 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.631 0.279 18089
1148 1 3 . 1 1 55 55 ASP H H 55 8.530 8.530 8.697 -0.167 18089
1149 1 3 . 1 1 56 56 LYS N N 56 118.060 118.060 119.700 -1.640 18089
1150 1 3 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.092 -0.162 18089
1151 1 3 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.339 0.481 18089
1152 1 3 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.495 0.005 18089
1153 1 3 . 1 1 56 56 LYS H H 56 7.950 7.950 7.205 0.745 18089
1154 1 3 . 1 1 57 57 VAL N N 57 119.310 119.310 120.735 -1.425 18089
1155 1 3 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.836 -0.116 18089
1156 1 3 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.953 1.107 18089
1157 1 3 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.938 0.152 18089
1158 1 3 . 1 1 57 57 VAL H H 57 7.280 7.280 7.733 -0.453 18089
1159 1 3 . 1 1 58 58 MET N N 58 115.980 115.980 119.335 -3.355 18089
1160 1 3 . 1 1 58 58 MET HA H 58 4.090 4.090 4.101 -0.011 18089
1161 1 3 . 1 1 58 58 MET CA C 58 57.370 57.370 58.918 -1.548 18089
1162 1 3 . 1 1 58 58 MET CB C 58 31.310 31.310 31.919 -0.609 18089
1163 1 3 . 1 1 58 58 MET H H 58 8.360 8.360 8.144 0.216 18089
1164 1 3 . 1 1 59 59 LYS N N 59 118.900 118.900 117.207 1.693 18089
1165 1 3 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.062 0.008 18089
1166 1 3 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.035 0.235 18089
1167 1 3 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.808 0.702 18089
1168 1 3 . 1 1 59 59 LYS H H 59 8.620 8.620 7.663 0.957 18089
1169 1 3 . 1 1 60 60 GLU N N 60 119.830 119.830 121.252 -1.422 18089
1170 1 3 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.151 -0.081 18089
1171 1 3 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.417 0.853 18089
1172 1 3 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.173 -1.513 18089
1173 1 3 . 1 1 60 60 GLU H H 60 7.430 7.430 7.403 0.027 18089
1174 1 3 . 1 1 61 61 LEU N N 61 116.920 116.920 120.960 -4.040 18089
1175 1 3 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.067 -0.117 18089
1176 1 3 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.567 -0.297 18089
1177 1 3 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.561 -1.011 18089
1178 1 3 . 1 1 61 61 LEU H H 61 7.580 7.580 8.637 -1.057 18089
1179 1 3 . 1 1 62 62 ASP N N 62 116.060 116.060 117.627 -1.567 18089
1180 1 3 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.429 0.031 18089
1181 1 3 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.612 -0.452 18089
1182 1 3 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.206 0.434 18089
1183 1 3 . 1 1 62 62 ASP H H 62 7.610 7.610 7.831 -0.221 18089
1184 1 3 . 1 1 63 63 GLU N N 63 118.870 118.870 115.849 3.021 18089
1185 1 3 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.372 -0.272 18089
1186 1 3 . 1 1 63 63 GLU CA C 63 58.040 58.040 56.349 1.691 18089
1187 1 3 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.035 1.016 18089
1188 1 3 . 1 1 63 63 GLU H H 63 8.120 8.120 7.717 0.403 18089
1189 1 3 . 1 1 64 64 ASN N N 64 117.720 117.720 117.673 0.047 18089
1190 1 3 . 1 1 64 64 ASN HA H 64 5.160 5.160 5.075 0.085 18089
1191 1 3 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.734 -1.804 18089
1192 1 3 . 1 1 64 64 ASN CB C 64 38.650 38.650 41.078 -2.428 18089
1193 1 3 . 1 1 64 64 ASN H H 64 7.720 7.720 7.734 -0.014 18089
1194 1 3 . 1 1 65 65 GLY N N 65 107.110 107.110 109.485 -2.375 18089
1195 1 3 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.520 0.390 18089
1196 1 3 . 1 1 65 65 GLY H H 65 7.750 7.750 7.919 -0.169 18089
1197 1 3 . 1 1 66 66 ASP N N 66 115.600 115.600 119.166 -3.566 18089
1198 1 3 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.581 0.259 18089
1199 1 3 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.483 0.567 18089
1200 1 3 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.022 0.578 18089
1201 1 3 . 1 1 66 66 ASP H H 66 8.320 8.320 7.903 0.417 18089
1202 1 3 . 1 1 67 67 GLY N N 67 109.220 109.220 108.879 0.341 18089
1203 1 3 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.870 -0.060 18089
1204 1 3 . 1 1 67 67 GLY H H 67 8.260 8.260 7.948 0.312 18089
1205 1 3 . 1 1 68 68 GLU N N 68 117.450 117.450 120.266 -2.816 18089
1206 1 3 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.188 0.062 18089
1207 1 3 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.739 -0.769 18089
1208 1 3 . 1 1 68 68 GLU CB C 68 33.920 33.920 31.893 2.027 18089
1209 1 3 . 1 1 68 68 GLU H H 68 8.500 8.500 8.297 0.203 18089
1210 1 3 . 1 1 69 69 VAL N N 69 115.390 115.390 118.236 -2.846 18089
1211 1 3 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.547 0.423 18089
1212 1 3 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.310 -0.180 18089
1213 1 3 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.246 -0.156 18089
1214 1 3 . 1 1 69 69 VAL H H 69 9.190 9.190 9.172 0.018 18089
1215 1 3 . 1 1 70 70 ASP N N 70 120.970 120.970 117.393 3.577 18089
1216 1 3 . 1 1 70 70 ASP HA H 70 5.570 5.570 4.996 0.574 18089
1217 1 3 . 1 1 70 70 ASP CA C 70 51.040 51.040 53.006 -1.966 18089
1218 1 3 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.819 -1.079 18089
1219 1 3 . 1 1 70 70 ASP H H 70 8.300 8.300 7.984 0.316 18089
1220 1 3 . 1 1 71 71 PHE N N 71 119.360 119.360 120.145 -0.785 18089
1221 1 3 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.261 0.219 18089
1222 1 3 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.219 0.281 18089
1223 1 3 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.543 1.057 18089
1224 1 3 . 1 1 71 71 PHE H H 71 9.520 9.520 8.984 0.536 18089
1225 1 3 . 1 1 72 72 GLN N N 72 116.880 116.880 119.053 -2.173 18089
1226 1 3 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.847 -0.427 18089
1227 1 3 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.087 1.693 18089
1228 1 3 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.486 0.494 18089
1229 1 3 . 1 1 72 72 GLN H H 72 8.180 8.180 8.387 -0.207 18089
1230 1 3 . 1 1 73 73 GLU N N 73 119.720 119.720 120.243 -0.523 18089
1231 1 3 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.022 -0.032 18089
1232 1 3 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.980 0.210 18089
1233 1 3 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.489 0.981 18089
1234 1 3 . 1 1 73 73 GLU H H 73 8.250 8.250 8.038 0.212 18089
1235 1 3 . 1 1 74 74 TYR N N 74 122.440 122.440 119.951 2.489 18089
1236 1 3 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.163 0.177 18089
1237 1 3 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.155 -0.885 18089
1238 1 3 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.238 -1.418 18089
1239 1 3 . 1 1 74 74 TYR H H 74 8.250 8.250 7.974 0.276 18089
1240 1 3 . 1 1 75 75 VAL N N 75 120.220 120.220 117.926 2.294 18089
1241 1 3 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.488 -0.828 18089
1242 1 3 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.153 1.827 18089
1243 1 3 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.051 -0.571 18089
1244 1 3 . 1 1 75 75 VAL H H 75 8.010 8.010 7.184 0.826 18089
1245 1 3 . 1 1 76 76 VAL N N 76 119.350 119.350 120.365 -1.015 18089
1246 1 3 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.729 -0.379 18089
1247 1 3 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.273 1.337 18089
1248 1 3 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.376 0.334 18089
1249 1 3 . 1 1 76 76 VAL H H 76 7.540 7.540 8.115 -0.575 18089
1250 1 3 . 1 1 77 77 LEU N N 77 121.420 121.420 120.909 0.511 18089
1251 1 3 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.897 0.283 18089
1252 1 3 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.471 -0.211 18089
1253 1 3 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.537 0.413 18089
1254 1 3 . 1 1 77 77 LEU H H 77 7.760 7.760 8.182 -0.422 18089
1255 1 3 . 1 1 78 78 VAL N N 78 119.530 119.530 115.621 3.909 18089
1256 1 3 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.693 -0.253 18089
1257 1 3 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.779 2.451 18089
1258 1 3 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.760 0.650 18089
1259 1 3 . 1 1 78 78 VAL H H 78 8.370 8.370 7.165 1.205 18089
1260 1 3 . 1 1 79 79 ALA N N 79 125.030 125.030 122.749 2.281 18089
1261 1 3 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.031 -0.001 18089
1262 1 3 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.309 1.761 18089
1263 1 3 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.351 -0.331 18089
1264 1 3 . 1 1 79 79 ALA H H 79 9.070 9.070 7.160 1.910 18089
1265 1 3 . 1 1 80 80 ALA N N 80 122.060 122.060 121.528 0.532 18089
1266 1 3 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.880 0.110 18089
1267 1 3 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.957 0.423 18089
1268 1 3 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.168 -0.608 18089
1269 1 3 . 1 1 80 80 ALA H H 80 8.350 8.350 8.505 -0.155 18089
1270 1 3 . 1 1 81 81 LEU N N 81 117.650 117.650 116.084 1.566 18089
1271 1 3 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.736 0.314 18089
1272 1 3 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.097 0.593 18089
1273 1 3 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.556 0.274 18089
1274 1 3 . 1 1 81 81 LEU H H 81 8.060 8.060 7.371 0.689 18089
1275 1 3 . 1 1 82 82 THR N N 82 117.560 117.560 115.409 2.151 18089
1276 1 3 . 1 1 82 82 THR HA H 82 3.680 3.680 2.760 0.920 18089
1277 1 3 . 1 1 82 82 THR CA C 82 68.820 68.820 66.158 2.662 18089
1278 1 3 . 1 1 82 82 THR CB C 82 67.570 67.570 68.648 -1.078 18089
1279 1 3 . 1 1 82 82 THR H H 82 8.320 8.320 6.877 1.443 18089
1280 1 3 . 1 1 83 83 VAL N N 83 121.390 121.390 117.143 4.247 18089
1281 1 3 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.854 -0.764 18089
1282 1 3 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.172 -0.052 18089
1283 1 3 . 1 1 83 83 VAL CB C 83 30.880 30.880 31.037 -0.157 18089
1284 1 3 . 1 1 83 83 VAL H H 83 8.000 8.000 8.091 -0.091 18089
1285 1 3 . 1 1 84 84 ALA N N 84 116.970 116.970 123.372 -6.402 18089
1286 1 3 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.056 0.524 18089
1287 1 3 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.859 -1.219 18089
1288 1 3 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.273 2.547 18089
1289 1 3 . 1 1 84 84 ALA H H 84 7.100 7.100 7.593 -0.493 18089
1290 1 3 . 1 1 85 85 CYS N N 85 112.170 112.170 112.706 -0.536 18089
1291 1 3 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.536 0.004 18089
1292 1 3 . 1 1 85 85 CYS CA C 85 60.330 60.330 58.675 1.655 18089
1293 1 3 . 1 1 85 85 CYS CB C 85 32.390 32.390 29.020 3.370 18089
1294 1 3 . 1 1 85 85 CYS H H 85 7.360 7.360 7.463 -0.103 18089
1295 1 3 . 1 1 86 86 ASN N N 86 118.980 118.980 120.287 -1.307 18089
1296 1 3 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.783 -0.303 18089
1297 1 3 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.823 -1.073 18089
1298 1 3 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.887 3.223 18089
1299 1 3 . 1 1 86 86 ASN H H 86 8.440 8.440 8.381 0.059 18089
1300 1 3 . 1 1 87 87 ASN N N 87 124.820 124.820 119.619 5.201 18089
1301 1 3 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.178 0.172 18089
1302 1 3 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.378 1.112 18089
1303 1 3 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.453 0.877 18089
1304 1 3 . 1 1 87 87 ASN H H 87 9.210 9.210 7.773 1.437 18089
1305 1 3 . 1 1 88 88 PHE N N 88 120.560 120.560 119.712 0.848 18089
1306 1 3 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.146 0.964 18089
1307 1 3 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.659 0.821 18089
1308 1 3 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.395 1.065 18089
1309 1 3 . 1 1 88 88 PHE H H 88 8.690 8.690 7.576 1.114 18089
1310 1 3 . 1 1 89 89 PHE N N 89 112.650 112.650 117.651 -5.001 18089
1311 1 3 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.408 -0.648 18089
1312 1 3 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.435 0.565 18089
1313 1 3 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.183 0.837 18089
1314 1 3 . 1 1 89 89 PHE H H 89 7.440 7.440 8.135 -0.695 18089
1315 1 3 . 1 1 90 90 TRP N N 90 118.650 118.650 118.524 0.126 18089
1316 1 3 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.551 0.039 18089
1317 1 3 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.213 1.087 18089
1318 1 3 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.729 4.721 18089
1319 1 3 . 1 1 90 90 TRP H H 90 7.360 7.360 7.227 0.133 18089
1320 1 3 . 1 1 91 91 GLU N N 91 121.410 121.410 120.766 0.644 18089
1321 1 3 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.151 0.199 18089
1322 1 3 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.969 -0.479 18089
1323 1 3 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.143 0.327 18089
1324 1 3 . 1 1 91 91 GLU H H 91 7.820 7.820 8.122 -0.302 18089
1325 1 3 . 1 1 92 92 ASN N N 92 120.680 120.680 120.649 0.031 18089
1326 1 3 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.736 -0.006 18089
1327 1 3 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.454 -0.634 18089
1328 1 3 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.809 0.201 18089
1329 1 3 . 1 1 92 92 ASN H H 92 8.590 8.590 8.525 0.065 18089
1330 1 4 . 1 1 2 2 SER N N 2 118.700 118.700 117.099 1.601 18089
1331 1 4 . 1 1 2 2 SER HA H 2 4.680 4.680 4.408 0.272 18089
1332 1 4 . 1 1 2 2 SER CA C 2 57.280 57.280 57.789 -0.509 18089
1333 1 4 . 1 1 2 2 SER CB C 2 65.190 65.190 64.797 0.393 18089
1334 1 4 . 1 1 2 2 SER H H 2 9.250 9.250 8.212 1.038 18089
1335 1 4 . 1 1 3 3 GLU N N 3 122.910 122.910 121.875 1.035 18089
1336 1 4 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.056 0.054 18089
1337 1 4 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.274 1.206 18089
1338 1 4 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.742 -0.732 18089
1339 1 4 . 1 1 3 3 GLU H H 3 9.250 9.250 8.724 0.526 18089
1340 1 4 . 1 1 4 4 LEU N N 4 121.150 121.150 116.989 4.161 18089
1341 1 4 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.188 -0.138 18089
1342 1 4 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.548 0.142 18089
1343 1 4 . 1 1 4 4 LEU CB C 4 42.150 42.150 40.963 1.187 18089
1344 1 4 . 1 1 4 4 LEU H H 4 8.940 8.940 7.884 1.056 18089
1345 1 4 . 1 1 5 5 GLU N N 5 118.630 118.630 119.428 -0.798 18089
1346 1 4 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.080 -0.840 18089
1347 1 4 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.269 0.441 18089
1348 1 4 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.738 0.232 18089
1349 1 4 . 1 1 5 5 GLU H H 5 7.840 7.840 8.734 -0.894 18089
1350 1 4 . 1 1 6 6 THR N N 6 116.040 116.040 115.413 0.627 18089
1351 1 4 . 1 1 6 6 THR HA H 6 4.000 4.000 4.096 -0.096 18089
1352 1 4 . 1 1 6 6 THR CA C 6 66.620 66.620 65.746 0.874 18089
1353 1 4 . 1 1 6 6 THR CB C 6 68.650 68.650 68.197 0.453 18089
1354 1 4 . 1 1 6 6 THR H H 6 8.430 8.430 7.599 0.831 18089
1355 1 4 . 1 1 7 7 ALA N N 7 125.730 125.730 125.313 0.417 18089
1356 1 4 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.078 0.192 18089
1357 1 4 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.018 0.572 18089
1358 1 4 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.405 -0.255 18089
1359 1 4 . 1 1 7 7 ALA H H 7 8.290 8.290 7.304 0.986 18089
1360 1 4 . 1 1 8 8 MET N N 8 115.120 115.120 115.953 -0.833 18089
1361 1 4 . 1 1 8 8 MET HA H 8 4.870 4.870 4.162 0.708 18089
1362 1 4 . 1 1 8 8 MET CA C 8 56.540 56.540 58.900 -2.360 18089
1363 1 4 . 1 1 8 8 MET CB C 8 28.950 28.950 32.013 -3.063 18089
1364 1 4 . 1 1 8 8 MET H H 8 8.100 8.100 7.546 0.554 18089
1365 1 4 . 1 1 9 9 GLU N N 9 120.560 120.560 117.974 2.586 18089
1366 1 4 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.968 0.142 18089
1367 1 4 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.465 1.015 18089
1368 1 4 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.895 -0.055 18089
1369 1 4 . 1 1 9 9 GLU H H 9 8.710 8.710 7.853 0.857 18089
1370 1 4 . 1 1 10 10 THR N N 10 118.800 118.800 113.445 5.355 18089
1371 1 4 . 1 1 10 10 THR HA H 10 4.120 4.120 4.130 -0.010 18089
1372 1 4 . 1 1 10 10 THR CA C 10 67.230 67.230 65.628 1.602 18089
1373 1 4 . 1 1 10 10 THR CB C 10 67.570 67.570 68.516 -0.946 18089
1374 1 4 . 1 1 10 10 THR H H 10 8.470 8.470 7.746 0.724 18089
1375 1 4 . 1 1 11 11 LEU N N 11 121.860 121.860 120.766 1.094 18089
1376 1 4 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.349 -0.239 18089
1377 1 4 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.843 2.637 18089
1378 1 4 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.865 1.075 18089
1379 1 4 . 1 1 11 11 LEU H H 11 8.340 8.340 7.651 0.689 18089
1380 1 4 . 1 1 12 12 ILE N N 12 121.270 121.270 118.315 2.955 18089
1381 1 4 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.100 -0.550 18089
1382 1 4 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.025 1.135 18089
1383 1 4 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.711 0.689 18089
1384 1 4 . 1 1 12 12 ILE H H 12 8.480 8.480 7.929 0.551 18089
1385 1 4 . 1 1 13 13 ASN N N 13 120.510 120.510 119.897 0.613 18089
1386 1 4 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.470 -0.120 18089
1387 1 4 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.302 0.188 18089
1388 1 4 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.689 0.251 18089
1389 1 4 . 1 1 13 13 ASN H H 13 8.690 8.690 8.274 0.416 18089
1390 1 4 . 1 1 14 14 VAL N N 14 121.990 121.990 118.517 3.473 18089
1391 1 4 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.949 -0.079 18089
1392 1 4 . 1 1 14 14 VAL CA C 14 66.550 66.550 65.177 1.373 18089
1393 1 4 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.564 -0.854 18089
1394 1 4 . 1 1 14 14 VAL H H 14 8.880 8.880 7.449 1.431 18089
1395 1 4 . 1 1 15 15 PHE N N 15 120.470 120.470 120.073 0.397 18089
1396 1 4 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.751 -0.181 18089
1397 1 4 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.091 1.389 18089
1398 1 4 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.172 0.328 18089
1399 1 4 . 1 1 15 15 PHE H H 15 7.480 7.480 7.992 -0.512 18089
1400 1 4 . 1 1 16 16 HIS N N 16 118.280 118.280 116.313 1.967 18089
1401 1 4 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.359 0.891 18089
1402 1 4 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.114 -2.144 18089
1403 1 4 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.370 -0.240 18089
1404 1 4 . 1 1 16 16 HIS H H 16 9.270 9.270 8.397 0.873 18089
1405 1 4 . 1 1 17 17 ALA N N 17 121.080 121.080 123.414 -2.334 18089
1406 1 4 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.999 -0.159 18089
1407 1 4 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.491 -0.051 18089
1408 1 4 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.695 -1.095 18089
1409 1 4 . 1 1 17 17 ALA H H 17 8.160 8.160 7.521 0.639 18089
1410 1 4 . 1 1 18 18 HIS N N 18 112.570 112.570 113.827 -1.257 18089
1411 1 4 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.761 -0.411 18089
1412 1 4 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.058 1.432 18089
1413 1 4 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.037 0.953 18089
1414 1 4 . 1 1 18 18 HIS H H 18 7.410 7.410 7.880 -0.470 18089
1415 1 4 . 1 1 19 19 SER HA H 19 4.110 4.110 4.171 -0.061 18089
1416 1 4 . 1 1 19 19 SER CA C 19 60.480 60.480 58.015 2.465 18089
1417 1 4 . 1 1 19 19 SER CB C 19 61.800 61.800 64.794 -2.994 18089
1418 1 4 . 1 1 20 20 GLY N N 20 106.720 106.720 111.650 -4.930 18089
1419 1 4 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.534 -0.294 18089
1420 1 4 . 1 1 20 20 GLY H H 20 8.260 8.260 8.682 -0.422 18089
1421 1 4 . 1 1 21 21 LYS N N 21 120.240 120.240 121.328 -1.088 18089
1422 1 4 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.055 -0.065 18089
1423 1 4 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.281 0.179 18089
1424 1 4 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.073 0.427 18089
1425 1 4 . 1 1 21 21 LYS H H 21 7.640 7.640 7.964 -0.324 18089
1426 1 4 . 1 1 22 22 GLU N N 22 117.060 117.060 118.200 -1.140 18089
1427 1 4 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.170 0.260 18089
1428 1 4 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.655 -2.275 18089
1429 1 4 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.986 1.054 18089
1430 1 4 . 1 1 22 22 GLU H H 22 7.840 7.840 8.343 -0.503 18089
1431 1 4 . 1 1 23 23 GLY N N 23 107.770 107.770 105.483 2.287 18089
1432 1 4 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.764 1.066 18089
1433 1 4 . 1 1 23 23 GLY H H 23 8.100 8.100 8.346 -0.246 18089
1434 1 4 . 1 1 24 24 ASP N N 24 122.990 122.990 122.050 0.940 18089
1435 1 4 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.950 -0.370 18089
1436 1 4 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.977 0.633 18089
1437 1 4 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.812 0.548 18089
1438 1 4 . 1 1 24 24 ASP H H 24 8.190 8.190 8.061 0.129 18089
1439 1 4 . 1 1 25 25 LYS N N 25 124.920 124.920 123.285 1.635 18089
1440 1 4 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.889 0.201 18089
1441 1 4 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.410 -1.040 18089
1442 1 4 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.236 -0.226 18089
1443 1 4 . 1 1 25 25 LYS H H 25 8.440 8.440 8.711 -0.271 18089
1444 1 4 . 1 1 26 26 TYR N N 26 117.220 117.220 115.686 1.534 18089
1445 1 4 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.628 0.492 18089
1446 1 4 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.964 -0.584 18089
1447 1 4 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.154 -0.453 18089
1448 1 4 . 1 1 26 26 TYR H H 26 8.490 8.490 7.784 0.706 18089
1449 1 4 . 1 1 27 27 LYS N N 27 118.300 118.300 118.282 0.018 18089
1450 1 4 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.555 -0.065 18089
1451 1 4 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.280 -0.460 18089
1452 1 4 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.953 0.507 18089
1453 1 4 . 1 1 27 27 LYS H H 27 7.870 7.870 7.947 -0.077 18089
1454 1 4 . 1 1 28 28 LEU N N 28 121.380 121.380 120.434 0.946 18089
1455 1 4 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.631 0.099 18089
1456 1 4 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.290 -1.470 18089
1457 1 4 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.020 0.350 18089
1458 1 4 . 1 1 28 28 LEU H H 28 8.830 8.830 8.905 -0.075 18089
1459 1 4 . 1 1 29 29 SER N N 29 120.620 120.620 116.401 4.219 18089
1460 1 4 . 1 1 29 29 SER HA H 29 5.030 5.030 5.049 -0.019 18089
1461 1 4 . 1 1 29 29 SER CA C 29 57.890 57.890 58.578 -0.688 18089
1462 1 4 . 1 1 29 29 SER CB C 29 64.270 64.270 64.596 -0.326 18089
1463 1 4 . 1 1 29 29 SER H H 29 8.940 8.940 8.550 0.390 18089
1464 1 4 . 1 1 30 30 LYS N N 30 124.430 124.430 122.562 1.868 18089
1465 1 4 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.128 -0.258 18089
1466 1 4 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.109 1.521 18089
1467 1 4 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.770 -1.060 18089
1468 1 4 . 1 1 30 30 LYS H H 30 8.820 8.820 8.363 0.457 18089
1469 1 4 . 1 1 31 31 LYS N N 31 120.230 120.230 119.104 1.126 18089
1470 1 4 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.935 0.235 18089
1471 1 4 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.574 -0.234 18089
1472 1 4 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.649 0.851 18089
1473 1 4 . 1 1 31 31 LYS H H 31 8.730 8.730 7.768 0.962 18089
1474 1 4 . 1 1 32 32 GLU N N 32 121.570 121.570 119.896 1.674 18089
1475 1 4 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.011 0.089 18089
1476 1 4 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.355 -1.315 18089
1477 1 4 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.127 -0.456 18089
1478 1 4 . 1 1 32 32 GLU H H 32 7.780 7.780 7.989 -0.209 18089
1479 1 4 . 1 1 33 33 LEU N N 33 121.620 121.620 118.647 2.973 18089
1480 1 4 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.976 0.024 18089
1481 1 4 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.426 -0.136 18089
1482 1 4 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.801 -1.301 18089
1483 1 4 . 1 1 33 33 LEU H H 33 8.910 8.910 7.436 1.474 18089
1484 1 4 . 1 1 34 34 LYS N N 34 120.460 120.460 119.729 0.731 18089
1485 1 4 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.027 -0.407 18089
1486 1 4 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.529 1.411 18089
1487 1 4 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.204 -0.794 18089
1488 1 4 . 1 1 34 34 LYS H H 34 8.440 8.440 8.201 0.239 18089
1489 1 4 . 1 1 35 35 GLU N N 35 117.190 117.190 119.594 -2.404 18089
1490 1 4 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.408 -0.338 18089
1491 1 4 . 1 1 35 35 GLU CA C 35 59.270 59.270 59.082 0.188 18089
1492 1 4 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.796 -0.766 18089
1493 1 4 . 1 1 35 35 GLU H H 35 7.200 7.200 7.951 -0.751 18089
1494 1 4 . 1 1 36 36 LEU N N 36 122.760 122.760 117.163 5.597 18089
1495 1 4 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.225 -0.465 18089
1496 1 4 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.788 1.212 18089
1497 1 4 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.393 0.887 18089
1498 1 4 . 1 1 36 36 LEU H H 36 8.310 8.310 7.412 0.898 18089
1499 1 4 . 1 1 37 37 LEU N N 37 120.220 120.220 118.886 1.334 18089
1500 1 4 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.207 -0.527 18089
1501 1 4 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.629 0.691 18089
1502 1 4 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.485 -0.965 18089
1503 1 4 . 1 1 37 37 LEU H H 37 8.820 8.820 8.310 0.510 18089
1504 1 4 . 1 1 38 38 GLN N N 38 113.470 113.470 116.477 -3.007 18089
1505 1 4 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.248 -0.488 18089
1506 1 4 . 1 1 38 38 GLN CA C 38 59.000 59.000 57.931 1.069 18089
1507 1 4 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.604 0.256 18089
1508 1 4 . 1 1 38 38 GLN H H 38 8.110 8.110 7.940 0.170 18089
1509 1 4 . 1 1 39 39 THR N N 39 109.960 109.960 111.941 -1.981 18089
1510 1 4 . 1 1 39 39 THR HA H 39 4.290 4.290 4.426 -0.136 18089
1511 1 4 . 1 1 39 39 THR CA C 39 64.560 64.560 62.731 1.829 18089
1512 1 4 . 1 1 39 39 THR CB C 39 69.750 69.750 69.576 0.174 18089
1513 1 4 . 1 1 39 39 THR H H 39 7.720 7.720 7.684 0.036 18089
1514 1 4 . 1 1 40 40 GLU N N 40 118.420 118.420 119.879 -1.459 18089
1515 1 4 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.420 0.300 18089
1516 1 4 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.157 -0.367 18089
1517 1 4 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.873 -1.673 18089
1518 1 4 . 1 1 40 40 GLU H H 40 9.020 9.020 8.175 0.845 18089
1519 1 4 . 1 1 41 41 LEU N N 41 119.120 119.120 118.149 0.971 18089
1520 1 4 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.582 0.548 18089
1521 1 4 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.080 -1.920 18089
1522 1 4 . 1 1 41 41 LEU CB C 41 42.040 42.040 43.882 -1.841 18089
1523 1 4 . 1 1 41 41 LEU H H 41 7.760 7.760 7.520 0.240 18089
1524 1 4 . 1 1 42 42 SER N N 42 112.960 112.960 118.315 -5.355 18089
1525 1 4 . 1 1 42 42 SER HA H 42 3.870 3.870 4.135 -0.265 18089
1526 1 4 . 1 1 42 42 SER CA C 42 61.630 61.630 59.566 2.064 18089
1527 1 4 . 1 1 42 42 SER CB C 42 62.790 62.790 62.800 -0.010 18089
1528 1 4 . 1 1 42 42 SER H H 42 6.940 6.940 8.131 -1.191 18089
1529 1 4 . 1 1 43 43 GLY N N 43 114.580 114.580 110.424 4.156 18089
1530 1 4 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.690 1.090 18089
1531 1 4 . 1 1 43 43 GLY H H 43 9.250 9.250 8.191 1.059 18089
1532 1 4 . 1 1 44 44 PHE N N 44 124.560 124.560 117.750 6.810 18089
1533 1 4 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.440 0.150 18089
1534 1 4 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.273 -1.793 18089
1535 1 4 . 1 1 44 44 PHE CB C 44 35.950 35.950 37.748 -1.798 18089
1536 1 4 . 1 1 44 44 PHE H H 44 8.320 8.320 6.459 1.861 18089
1537 1 4 . 1 1 45 45 LEU N N 45 116.140 116.140 119.802 -3.662 18089
1538 1 4 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.074 0.096 18089
1539 1 4 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.549 -0.179 18089
1540 1 4 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.787 0.463 18089
1541 1 4 . 1 1 45 45 LEU H H 45 8.650 8.650 8.028 0.622 18089
1542 1 4 . 1 1 46 46 ASP N N 46 119.960 119.960 115.797 4.163 18089
1543 1 4 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.594 0.116 18089
1544 1 4 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.628 1.012 18089
1545 1 4 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.308 0.212 18089
1546 1 4 . 1 1 46 46 ASP H H 46 7.730 7.730 7.598 0.132 18089
1547 1 4 . 1 1 47 47 ALA N N 47 124.260 124.260 121.890 2.370 18089
1548 1 4 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.593 0.027 18089
1549 1 4 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.264 -1.754 18089
1550 1 4 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.088 -1.238 18089
1551 1 4 . 1 1 47 47 ALA H H 47 7.740 7.740 7.676 0.064 18089
1552 1 4 . 1 1 48 48 GLN N N 48 117.380 117.380 123.158 -5.778 18089
1553 1 4 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.403 -0.313 18089
1554 1 4 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.585 1.785 18089
1555 1 4 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.835 0.635 18089
1556 1 4 . 1 1 48 48 GLN H H 48 7.650 7.650 8.244 -0.594 18089
1557 1 4 . 1 1 49 49 LYS N N 49 121.400 121.400 122.985 -1.585 18089
1558 1 4 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.238 -0.108 18089
1559 1 4 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.288 -0.048 18089
1560 1 4 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.127 -2.207 18089
1561 1 4 . 1 1 49 49 LYS H H 49 8.000 8.000 8.343 -0.343 18089
1562 1 4 . 1 1 50 50 ASP N N 50 119.180 119.180 123.443 -4.263 18089
1563 1 4 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.906 -0.246 18089
1564 1 4 . 1 1 50 50 ASP CA C 50 51.600 51.600 54.084 -2.484 18089
1565 1 4 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.722 0.138 18089
1566 1 4 . 1 1 50 50 ASP H H 50 7.500 7.500 8.154 -0.654 18089
1567 1 4 . 1 1 51 51 VAL N N 51 122.100 122.100 125.142 -3.042 18089
1568 1 4 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.651 0.209 18089
1569 1 4 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.816 -2.066 18089
1570 1 4 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.735 0.235 18089
1571 1 4 . 1 1 51 51 VAL H H 51 7.670 7.670 8.393 -0.723 18089
1572 1 4 . 1 1 52 52 ASP N N 52 119.490 119.490 119.476 0.014 18089
1573 1 4 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.346 0.004 18089
1574 1 4 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.405 -0.245 18089
1575 1 4 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.396 0.204 18089
1576 1 4 . 1 1 52 52 ASP H H 52 8.130 8.130 8.536 -0.406 18089
1577 1 4 . 1 1 53 53 ALA N N 53 122.220 122.220 122.091 0.129 18089
1578 1 4 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.270 -0.250 18089
1579 1 4 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.859 -0.299 18089
1580 1 4 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.894 -0.154 18089
1581 1 4 . 1 1 53 53 ALA H H 53 7.540 7.540 7.636 -0.096 18089
1582 1 4 . 1 1 54 54 VAL N N 54 118.080 118.080 119.103 -1.023 18089
1583 1 4 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.568 -0.218 18089
1584 1 4 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.908 -0.328 18089
1585 1 4 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.022 0.698 18089
1586 1 4 . 1 1 54 54 VAL H H 54 7.310 7.310 8.463 -1.153 18089
1587 1 4 . 1 1 55 55 ASP N N 55 119.630 119.630 119.676 -0.046 18089
1588 1 4 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.472 -0.192 18089
1589 1 4 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.557 -0.177 18089
1590 1 4 . 1 1 55 55 ASP CB C 55 40.910 40.910 41.089 -0.179 18089
1591 1 4 . 1 1 55 55 ASP H H 55 8.530 8.530 8.768 -0.238 18089
1592 1 4 . 1 1 56 56 LYS N N 56 118.060 118.060 120.045 -1.985 18089
1593 1 4 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.089 -0.159 18089
1594 1 4 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.437 0.383 18089
1595 1 4 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.745 -0.245 18089
1596 1 4 . 1 1 56 56 LYS H H 56 7.950 7.950 7.479 0.471 18089
1597 1 4 . 1 1 57 57 VAL N N 57 119.310 119.310 120.379 -1.069 18089
1598 1 4 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.840 -0.119 18089
1599 1 4 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.995 1.065 18089
1600 1 4 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.013 0.077 18089
1601 1 4 . 1 1 57 57 VAL H H 57 7.280 7.280 8.465 -1.185 18089
1602 1 4 . 1 1 58 58 MET N N 58 115.980 115.980 118.875 -2.895 18089
1603 1 4 . 1 1 58 58 MET HA H 58 4.090 4.090 4.143 -0.053 18089
1604 1 4 . 1 1 58 58 MET CA C 58 57.370 57.370 58.673 -1.303 18089
1605 1 4 . 1 1 58 58 MET CB C 58 31.310 31.310 31.943 -0.633 18089
1606 1 4 . 1 1 58 58 MET H H 58 8.360 8.360 7.924 0.436 18089
1607 1 4 . 1 1 59 59 LYS N N 59 118.900 118.900 116.299 2.601 18089
1608 1 4 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.127 -0.057 18089
1609 1 4 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.088 0.182 18089
1610 1 4 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.683 0.826 18089
1611 1 4 . 1 1 59 59 LYS H H 59 8.620 8.620 7.732 0.888 18089
1612 1 4 . 1 1 60 60 GLU N N 60 119.830 119.830 120.427 -0.597 18089
1613 1 4 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.184 -0.114 18089
1614 1 4 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.473 0.797 18089
1615 1 4 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.269 -1.609 18089
1616 1 4 . 1 1 60 60 GLU H H 60 7.430 7.430 7.544 -0.114 18089
1617 1 4 . 1 1 61 61 LEU N N 61 116.920 116.920 121.886 -4.966 18089
1618 1 4 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.186 -0.236 18089
1619 1 4 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.767 -0.497 18089
1620 1 4 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.548 -0.998 18089
1621 1 4 . 1 1 61 61 LEU H H 61 7.580 7.580 8.306 -0.726 18089
1622 1 4 . 1 1 62 62 ASP N N 62 116.060 116.060 117.947 -1.887 18089
1623 1 4 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.333 0.127 18089
1624 1 4 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.113 -0.953 18089
1625 1 4 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.432 1.208 18089
1626 1 4 . 1 1 62 62 ASP H H 62 7.610 7.610 8.185 -0.575 18089
1627 1 4 . 1 1 63 63 GLU N N 63 118.870 118.870 116.970 1.900 18089
1628 1 4 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.428 -0.328 18089
1629 1 4 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.571 0.469 18089
1630 1 4 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.035 0.015 18089
1631 1 4 . 1 1 63 63 GLU H H 63 8.120 8.120 7.841 0.279 18089
1632 1 4 . 1 1 64 64 ASN N N 64 117.720 117.720 119.252 -1.532 18089
1633 1 4 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.766 0.394 18089
1634 1 4 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.264 -2.334 18089
1635 1 4 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.692 -0.042 18089
1636 1 4 . 1 1 64 64 ASN H H 64 7.720 7.720 7.981 -0.261 18089
1637 1 4 . 1 1 65 65 GLY N N 65 107.110 107.110 109.498 -2.388 18089
1638 1 4 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.884 1.026 18089
1639 1 4 . 1 1 65 65 GLY H H 65 7.750 7.750 8.730 -0.980 18089
1640 1 4 . 1 1 66 66 ASP N N 66 115.600 115.600 121.825 -6.225 18089
1641 1 4 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.768 0.072 18089
1642 1 4 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.816 0.234 18089
1643 1 4 . 1 1 66 66 ASP CB C 66 40.600 40.600 41.513 -0.913 18089
1644 1 4 . 1 1 66 66 ASP H H 66 8.320 8.320 7.540 0.780 18089
1645 1 4 . 1 1 67 67 GLY N N 67 109.220 109.220 108.300 0.920 18089
1646 1 4 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.603 0.207 18089
1647 1 4 . 1 1 67 67 GLY H H 67 8.260 8.260 7.986 0.274 18089
1648 1 4 . 1 1 68 68 GLU N N 68 117.450 117.450 119.673 -2.223 18089
1649 1 4 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.962 0.288 18089
1650 1 4 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.453 -0.483 18089
1651 1 4 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.352 1.568 18089
1652 1 4 . 1 1 68 68 GLU H H 68 8.500 8.500 8.391 0.109 18089
1653 1 4 . 1 1 69 69 VAL N N 69 115.390 115.390 115.957 -0.567 18089
1654 1 4 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.749 0.221 18089
1655 1 4 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.319 -0.188 18089
1656 1 4 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.491 0.599 18089
1657 1 4 . 1 1 69 69 VAL H H 69 9.190 9.190 9.191 -0.001 18089
1658 1 4 . 1 1 70 70 ASP N N 70 120.970 120.970 117.892 3.078 18089
1659 1 4 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.317 0.253 18089
1660 1 4 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.754 -1.714 18089
1661 1 4 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.134 -0.394 18089
1662 1 4 . 1 1 70 70 ASP H H 70 8.300 8.300 8.181 0.119 18089
1663 1 4 . 1 1 71 71 PHE N N 71 119.360 119.360 120.781 -1.421 18089
1664 1 4 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.129 0.351 18089
1665 1 4 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.383 -0.883 18089
1666 1 4 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.656 0.944 18089
1667 1 4 . 1 1 71 71 PHE H H 71 9.520 9.520 8.945 0.575 18089
1668 1 4 . 1 1 72 72 GLN N N 72 116.880 116.880 119.218 -2.338 18089
1669 1 4 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.834 -0.414 18089
1670 1 4 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.326 1.454 18089
1671 1 4 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.321 0.659 18089
1672 1 4 . 1 1 72 72 GLN H H 72 8.180 8.180 8.580 -0.400 18089
1673 1 4 . 1 1 73 73 GLU N N 73 119.720 119.720 118.919 0.801 18089
1674 1 4 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.009 -0.019 18089
1675 1 4 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.630 0.560 18089
1676 1 4 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.291 1.179 18089
1677 1 4 . 1 1 73 73 GLU H H 73 8.250 8.250 8.528 -0.278 18089
1678 1 4 . 1 1 74 74 TYR N N 74 122.440 122.440 121.790 0.650 18089
1679 1 4 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.096 0.244 18089
1680 1 4 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.031 -0.761 18089
1681 1 4 . 1 1 74 74 TYR CB C 74 36.820 36.820 37.996 -1.176 18089
1682 1 4 . 1 1 74 74 TYR H H 74 8.250 8.250 8.244 0.006 18089
1683 1 4 . 1 1 75 75 VAL N N 75 120.220 120.220 117.736 2.484 18089
1684 1 4 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.266 -0.606 18089
1685 1 4 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.882 1.098 18089
1686 1 4 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.459 -0.979 18089
1687 1 4 . 1 1 75 75 VAL H H 75 8.010 8.010 7.577 0.433 18089
1688 1 4 . 1 1 76 76 VAL N N 76 119.350 119.350 120.487 -1.137 18089
1689 1 4 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.675 -0.325 18089
1690 1 4 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.641 0.969 18089
1691 1 4 . 1 1 76 76 VAL CB C 76 31.710 31.710 32.047 -0.338 18089
1692 1 4 . 1 1 76 76 VAL H H 76 7.540 7.540 7.900 -0.360 18089
1693 1 4 . 1 1 77 77 LEU N N 77 121.420 121.420 120.834 0.586 18089
1694 1 4 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.836 0.344 18089
1695 1 4 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.480 -0.221 18089
1696 1 4 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.447 0.503 18089
1697 1 4 . 1 1 77 77 LEU H H 77 7.760 7.760 8.427 -0.667 18089
1698 1 4 . 1 1 78 78 VAL N N 78 119.530 119.530 114.709 4.821 18089
1699 1 4 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.773 -0.333 18089
1700 1 4 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.075 2.155 18089
1701 1 4 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.577 0.833 18089
1702 1 4 . 1 1 78 78 VAL H H 78 8.370 8.370 7.136 1.234 18089
1703 1 4 . 1 1 79 79 ALA N N 79 125.030 125.030 122.893 2.137 18089
1704 1 4 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.159 -0.129 18089
1705 1 4 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.102 1.968 18089
1706 1 4 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.434 -0.414 18089
1707 1 4 . 1 1 79 79 ALA H H 79 9.070 9.070 7.100 1.970 18089
1708 1 4 . 1 1 80 80 ALA N N 80 122.060 122.060 121.567 0.493 18089
1709 1 4 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.880 0.110 18089
1710 1 4 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.008 0.372 18089
1711 1 4 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.169 -0.609 18089
1712 1 4 . 1 1 80 80 ALA H H 80 8.350 8.350 8.538 -0.188 18089
1713 1 4 . 1 1 81 81 LEU N N 81 117.650 117.650 114.946 2.704 18089
1714 1 4 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.615 0.435 18089
1715 1 4 . 1 1 81 81 LEU CA C 81 57.690 57.690 56.839 0.851 18089
1716 1 4 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.190 1.640 18089
1717 1 4 . 1 1 81 81 LEU H H 81 8.060 8.060 7.201 0.859 18089
1718 1 4 . 1 1 82 82 THR N N 82 117.560 117.560 115.400 2.160 18089
1719 1 4 . 1 1 82 82 THR HA H 82 3.680 3.680 4.135 -0.455 18089
1720 1 4 . 1 1 82 82 THR CA C 82 68.820 68.820 66.937 1.883 18089
1721 1 4 . 1 1 82 82 THR CB C 82 67.570 67.570 68.688 -1.118 18089
1722 1 4 . 1 1 82 82 THR H H 82 8.320 8.320 6.973 1.347 18089
1723 1 4 . 1 1 83 83 VAL N N 83 121.390 121.390 118.170 3.220 18089
1724 1 4 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.949 -0.859 18089
1725 1 4 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.372 -0.252 18089
1726 1 4 . 1 1 83 83 VAL CB C 83 30.880 30.880 29.785 1.095 18089
1727 1 4 . 1 1 83 83 VAL H H 83 8.000 8.000 7.870 0.130 18089
1728 1 4 . 1 1 84 84 ALA N N 84 116.970 116.970 121.767 -4.797 18089
1729 1 4 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.077 0.503 18089
1730 1 4 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.165 -1.525 18089
1731 1 4 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.305 2.515 18089
1732 1 4 . 1 1 84 84 ALA H H 84 7.100 7.100 7.609 -0.509 18089
1733 1 4 . 1 1 85 85 CYS N N 85 112.170 112.170 114.600 -2.430 18089
1734 1 4 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.676 -0.136 18089
1735 1 4 . 1 1 85 85 CYS CA C 85 60.330 60.330 58.931 1.399 18089
1736 1 4 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.758 4.632 18089
1737 1 4 . 1 1 85 85 CYS H H 85 7.360 7.360 7.844 -0.484 18089
1738 1 4 . 1 1 86 86 ASN N N 86 118.980 118.980 120.183 -1.203 18089
1739 1 4 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.684 -0.204 18089
1740 1 4 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.075 -1.325 18089
1741 1 4 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.161 2.949 18089
1742 1 4 . 1 1 86 86 ASN H H 86 8.440 8.440 8.438 0.002 18089
1743 1 4 . 1 1 87 87 ASN N N 87 124.820 124.820 119.585 5.235 18089
1744 1 4 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.289 0.061 18089
1745 1 4 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.322 1.168 18089
1746 1 4 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.421 0.909 18089
1747 1 4 . 1 1 87 87 ASN H H 87 9.210 9.210 7.513 1.697 18089
1748 1 4 . 1 1 88 88 PHE N N 88 120.560 120.560 120.829 -0.269 18089
1749 1 4 . 1 1 88 88 PHE HA H 88 4.110 4.110 2.996 1.114 18089
1750 1 4 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.158 0.322 18089
1751 1 4 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.695 0.765 18089
1752 1 4 . 1 1 88 88 PHE H H 88 8.690 8.690 7.384 1.306 18089
1753 1 4 . 1 1 89 89 PHE N N 89 112.650 112.650 115.757 -3.107 18089
1754 1 4 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.316 -0.556 18089
1755 1 4 . 1 1 89 89 PHE CA C 89 59.000 59.000 57.953 1.047 18089
1756 1 4 . 1 1 89 89 PHE CB C 89 39.020 39.020 37.939 1.081 18089
1757 1 4 . 1 1 89 89 PHE H H 89 7.440 7.440 7.858 -0.418 18089
1758 1 4 . 1 1 90 90 TRP N N 90 118.650 118.650 117.709 0.941 18089
1759 1 4 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.392 0.198 18089
1760 1 4 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.919 0.382 18089
1761 1 4 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.324 4.126 18089
1762 1 4 . 1 1 90 90 TRP H H 90 7.360 7.360 7.158 0.202 18089
1763 1 4 . 1 1 91 91 GLU N N 91 121.410 121.410 120.007 1.403 18089
1764 1 4 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.122 0.228 18089
1765 1 4 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.941 -0.451 18089
1766 1 4 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.849 0.621 18089
1767 1 4 . 1 1 91 91 GLU H H 91 7.820 7.820 8.139 -0.319 18089
1768 1 4 . 1 1 92 92 ASN N N 92 120.680 120.680 121.365 -0.685 18089
1769 1 4 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.715 0.015 18089
1770 1 4 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.382 -0.562 18089
1771 1 4 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.867 0.143 18089
1772 1 4 . 1 1 92 92 ASN H H 92 8.590 8.590 8.599 -0.009 18089
1773 1 5 . 1 1 2 2 SER N N 2 118.700 118.700 116.476 2.224 18089
1774 1 5 . 1 1 2 2 SER HA H 2 4.680 4.680 4.503 0.177 18089
1775 1 5 . 1 1 2 2 SER CA C 2 57.280 57.280 57.698 -0.418 18089
1776 1 5 . 1 1 2 2 SER CB C 2 65.190 65.190 64.510 0.680 18089
1777 1 5 . 1 1 2 2 SER H H 2 9.250 9.250 7.856 1.394 18089
1778 1 5 . 1 1 3 3 GLU N N 3 122.910 122.910 121.730 1.180 18089
1779 1 5 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.103 0.007 18089
1780 1 5 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.112 1.368 18089
1781 1 5 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.748 -0.738 18089
1782 1 5 . 1 1 3 3 GLU H H 3 9.250 9.250 8.775 0.475 18089
1783 1 5 . 1 1 4 4 LEU N N 4 121.150 121.150 117.670 3.480 18089
1784 1 5 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.130 -0.080 18089
1785 1 5 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.577 0.113 18089
1786 1 5 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.041 1.109 18089
1787 1 5 . 1 1 4 4 LEU H H 4 8.940 8.940 7.892 1.048 18089
1788 1 5 . 1 1 5 5 GLU N N 5 118.630 118.630 119.222 -0.592 18089
1789 1 5 . 1 1 5 5 GLU HA H 5 3.240 3.240 3.996 -0.756 18089
1790 1 5 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.552 0.158 18089
1791 1 5 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.336 -0.366 18089
1792 1 5 . 1 1 5 5 GLU H H 5 7.840 7.840 8.700 -0.860 18089
1793 1 5 . 1 1 6 6 THR N N 6 116.040 116.040 115.118 0.922 18089
1794 1 5 . 1 1 6 6 THR HA H 6 4.000 4.000 4.052 -0.052 18089
1795 1 5 . 1 1 6 6 THR CA C 6 66.620 66.620 65.356 1.264 18089
1796 1 5 . 1 1 6 6 THR CB C 6 68.650 68.650 68.339 0.311 18089
1797 1 5 . 1 1 6 6 THR H H 6 8.430 8.430 7.758 0.672 18089
1798 1 5 . 1 1 7 7 ALA N N 7 125.730 125.730 124.934 0.796 18089
1799 1 5 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.085 0.185 18089
1800 1 5 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.015 0.575 18089
1801 1 5 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.443 -0.293 18089
1802 1 5 . 1 1 7 7 ALA H H 7 8.290 8.290 7.702 0.588 18089
1803 1 5 . 1 1 8 8 MET N N 8 115.120 115.120 116.392 -1.272 18089
1804 1 5 . 1 1 8 8 MET HA H 8 4.870 4.870 4.136 0.734 18089
1805 1 5 . 1 1 8 8 MET CA C 8 56.540 56.540 58.933 -2.393 18089
1806 1 5 . 1 1 8 8 MET CB C 8 28.950 28.950 31.853 -2.903 18089
1807 1 5 . 1 1 8 8 MET H H 8 8.100 8.100 7.564 0.536 18089
1808 1 5 . 1 1 9 9 GLU N N 9 120.560 120.560 118.482 2.078 18089
1809 1 5 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.015 0.095 18089
1810 1 5 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.505 0.975 18089
1811 1 5 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.901 -0.061 18089
1812 1 5 . 1 1 9 9 GLU H H 9 8.710 8.710 8.069 0.641 18089
1813 1 5 . 1 1 10 10 THR N N 10 118.800 118.800 113.277 5.523 18089
1814 1 5 . 1 1 10 10 THR HA H 10 4.120 4.120 4.168 -0.048 18089
1815 1 5 . 1 1 10 10 THR CA C 10 67.230 67.230 65.311 1.919 18089
1816 1 5 . 1 1 10 10 THR CB C 10 67.570 67.570 68.595 -1.025 18089
1817 1 5 . 1 1 10 10 THR H H 10 8.470 8.470 7.916 0.554 18089
1818 1 5 . 1 1 11 11 LEU N N 11 121.860 121.860 121.344 0.516 18089
1819 1 5 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.290 -0.180 18089
1820 1 5 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.753 2.727 18089
1821 1 5 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.601 1.339 18089
1822 1 5 . 1 1 11 11 LEU H H 11 8.340 8.340 7.718 0.622 18089
1823 1 5 . 1 1 12 12 ILE N N 12 121.270 121.270 117.296 3.974 18089
1824 1 5 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.154 -0.604 18089
1825 1 5 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.680 1.480 18089
1826 1 5 . 1 1 12 12 ILE CB C 12 38.400 38.400 38.028 0.372 18089
1827 1 5 . 1 1 12 12 ILE H H 12 8.480 8.480 7.824 0.656 18089
1828 1 5 . 1 1 13 13 ASN N N 13 120.510 120.510 120.344 0.166 18089
1829 1 5 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.508 -0.158 18089
1830 1 5 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.358 0.132 18089
1831 1 5 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.682 0.258 18089
1832 1 5 . 1 1 13 13 ASN H H 13 8.690 8.690 8.500 0.190 18089
1833 1 5 . 1 1 14 14 VAL N N 14 121.990 121.990 118.883 3.107 18089
1834 1 5 . 1 1 14 14 VAL HA H 14 3.870 3.870 4.013 -0.143 18089
1835 1 5 . 1 1 14 14 VAL CA C 14 66.550 66.550 63.697 2.853 18089
1836 1 5 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.009 -0.299 18089
1837 1 5 . 1 1 14 14 VAL H H 14 8.880 8.880 7.453 1.427 18089
1838 1 5 . 1 1 15 15 PHE N N 15 120.470 120.470 121.239 -0.769 18089
1839 1 5 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.715 -0.145 18089
1840 1 5 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.050 1.430 18089
1841 1 5 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.096 0.404 18089
1842 1 5 . 1 1 15 15 PHE H H 15 7.480 7.480 7.759 -0.279 18089
1843 1 5 . 1 1 16 16 HIS N N 16 118.280 118.280 118.098 0.182 18089
1844 1 5 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.380 0.870 18089
1845 1 5 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.097 -2.127 18089
1846 1 5 . 1 1 16 16 HIS CB C 16 30.130 30.130 29.813 0.317 18089
1847 1 5 . 1 1 16 16 HIS H H 16 9.270 9.270 8.617 0.653 18089
1848 1 5 . 1 1 17 17 ALA N N 17 121.080 121.080 122.132 -1.052 18089
1849 1 5 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.998 -0.158 18089
1850 1 5 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.000 0.440 18089
1851 1 5 . 1 1 17 17 ALA CB C 17 17.600 17.600 19.229 -1.629 18089
1852 1 5 . 1 1 17 17 ALA H H 17 8.160 8.160 7.426 0.734 18089
1853 1 5 . 1 1 18 18 HIS N N 18 112.570 112.570 113.584 -1.014 18089
1854 1 5 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.546 -0.196 18089
1855 1 5 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.131 1.359 18089
1856 1 5 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.543 0.447 18089
1857 1 5 . 1 1 18 18 HIS H H 18 7.410 7.410 7.621 -0.211 18089
1858 1 5 . 1 1 19 19 SER HA H 19 4.110 4.110 4.307 -0.197 18089
1859 1 5 . 1 1 19 19 SER CA C 19 60.480 60.480 58.626 1.854 18089
1860 1 5 . 1 1 19 19 SER CB C 19 61.800 61.800 63.206 -1.406 18089
1861 1 5 . 1 1 20 20 GLY N N 20 106.720 106.720 113.174 -6.454 18089
1862 1 5 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.683 -0.443 18089
1863 1 5 . 1 1 20 20 GLY H H 20 8.260 8.260 8.544 -0.284 18089
1864 1 5 . 1 1 21 21 LYS N N 21 120.240 120.240 121.064 -0.824 18089
1865 1 5 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.120 -0.130 18089
1866 1 5 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.209 0.251 18089
1867 1 5 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.216 0.284 18089
1868 1 5 . 1 1 21 21 LYS H H 21 7.640 7.640 8.088 -0.448 18089
1869 1 5 . 1 1 22 22 GLU N N 22 117.060 117.060 118.128 -1.068 18089
1870 1 5 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.137 0.293 18089
1871 1 5 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.813 -2.433 18089
1872 1 5 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.710 1.330 18089
1873 1 5 . 1 1 22 22 GLU H H 22 7.840 7.840 8.404 -0.564 18089
1874 1 5 . 1 1 23 23 GLY N N 23 107.770 107.770 106.606 1.164 18089
1875 1 5 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.710 1.120 18089
1876 1 5 . 1 1 23 23 GLY H H 23 8.100 8.100 8.227 -0.127 18089
1877 1 5 . 1 1 24 24 ASP N N 24 122.990 122.990 121.258 1.732 18089
1878 1 5 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.883 -0.303 18089
1879 1 5 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.031 0.579 18089
1880 1 5 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.796 0.564 18089
1881 1 5 . 1 1 24 24 ASP H H 24 8.190 8.190 8.240 -0.050 18089
1882 1 5 . 1 1 25 25 LYS N N 25 124.920 124.920 120.924 3.996 18089
1883 1 5 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.123 -0.033 18089
1884 1 5 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.636 -0.266 18089
1885 1 5 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.583 -0.573 18089
1886 1 5 . 1 1 25 25 LYS H H 25 8.440 8.440 8.448 -0.008 18089
1887 1 5 . 1 1 26 26 TYR N N 26 117.220 117.220 115.092 2.128 18089
1888 1 5 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.728 0.392 18089
1889 1 5 . 1 1 26 26 TYR CA C 26 57.380 57.380 56.625 0.755 18089
1890 1 5 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.742 -0.042 18089
1891 1 5 . 1 1 26 26 TYR H H 26 8.490 8.490 7.923 0.567 18089
1892 1 5 . 1 1 27 27 LYS N N 27 118.300 118.300 118.626 -0.326 18089
1893 1 5 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.506 -0.016 18089
1894 1 5 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.330 -0.510 18089
1895 1 5 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.804 0.656 18089
1896 1 5 . 1 1 27 27 LYS H H 27 7.870 7.870 7.434 0.436 18089
1897 1 5 . 1 1 28 28 LEU N N 28 121.380 121.380 121.262 0.118 18089
1898 1 5 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.635 0.095 18089
1899 1 5 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.005 -1.185 18089
1900 1 5 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.721 0.649 18089
1901 1 5 . 1 1 28 28 LEU H H 28 8.830 8.830 9.104 -0.274 18089
1902 1 5 . 1 1 29 29 SER N N 29 120.620 120.620 116.312 4.308 18089
1903 1 5 . 1 1 29 29 SER HA H 29 5.030 5.030 4.977 0.053 18089
1904 1 5 . 1 1 29 29 SER CA C 29 57.890 57.890 57.865 0.025 18089
1905 1 5 . 1 1 29 29 SER CB C 29 64.270 64.270 64.519 -0.249 18089
1906 1 5 . 1 1 29 29 SER H H 29 8.940 8.940 8.577 0.363 18089
1907 1 5 . 1 1 30 30 LYS N N 30 124.430 124.430 122.767 1.663 18089
1908 1 5 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.163 -0.293 18089
1909 1 5 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.972 1.658 18089
1910 1 5 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.754 -1.044 18089
1911 1 5 . 1 1 30 30 LYS H H 30 8.820 8.820 8.137 0.683 18089
1912 1 5 . 1 1 31 31 LYS N N 31 120.230 120.230 118.825 1.405 18089
1913 1 5 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.926 0.244 18089
1914 1 5 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.277 0.063 18089
1915 1 5 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.830 0.670 18089
1916 1 5 . 1 1 31 31 LYS H H 31 8.730 8.730 7.662 1.067 18089
1917 1 5 . 1 1 32 32 GLU N N 32 121.570 121.570 119.724 1.846 18089
1918 1 5 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.114 -0.014 18089
1919 1 5 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.147 -1.107 18089
1920 1 5 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.201 -0.531 18089
1921 1 5 . 1 1 32 32 GLU H H 32 7.780 7.780 7.775 0.005 18089
1922 1 5 . 1 1 33 33 LEU N N 33 121.620 121.620 119.511 2.109 18089
1923 1 5 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.929 0.071 18089
1924 1 5 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.566 -0.276 18089
1925 1 5 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.750 -1.250 18089
1926 1 5 . 1 1 33 33 LEU H H 33 8.910 8.910 7.725 1.185 18089
1927 1 5 . 1 1 34 34 LYS N N 34 120.460 120.460 119.400 1.060 18089
1928 1 5 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.020 -0.400 18089
1929 1 5 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.514 1.426 18089
1930 1 5 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.234 -0.825 18089
1931 1 5 . 1 1 34 34 LYS H H 34 8.440 8.440 8.181 0.259 18089
1932 1 5 . 1 1 35 35 GLU N N 35 117.190 117.190 119.583 -2.393 18089
1933 1 5 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.436 -0.366 18089
1934 1 5 . 1 1 35 35 GLU CA C 35 59.270 59.270 59.034 0.236 18089
1935 1 5 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.846 -0.817 18089
1936 1 5 . 1 1 35 35 GLU H H 35 7.200 7.200 7.781 -0.581 18089
1937 1 5 . 1 1 36 36 LEU N N 36 122.760 122.760 118.473 4.287 18089
1938 1 5 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.223 -0.463 18089
1939 1 5 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.835 1.165 18089
1940 1 5 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.253 1.027 18089
1941 1 5 . 1 1 36 36 LEU H H 36 8.310 8.310 7.711 0.599 18089
1942 1 5 . 1 1 37 37 LEU N N 37 120.220 120.220 118.743 1.477 18089
1943 1 5 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.295 -0.615 18089
1944 1 5 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.394 0.926 18089
1945 1 5 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.502 -0.982 18089
1946 1 5 . 1 1 37 37 LEU H H 37 8.820 8.820 8.167 0.653 18089
1947 1 5 . 1 1 38 38 GLN N N 38 113.470 113.470 116.825 -3.355 18089
1948 1 5 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.183 -0.423 18089
1949 1 5 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.137 0.863 18089
1950 1 5 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.439 0.421 18089
1951 1 5 . 1 1 38 38 GLN H H 38 8.110 8.110 7.974 0.136 18089
1952 1 5 . 1 1 39 39 THR N N 39 109.960 109.960 113.042 -3.082 18089
1953 1 5 . 1 1 39 39 THR HA H 39 4.290 4.290 4.363 -0.073 18089
1954 1 5 . 1 1 39 39 THR CA C 39 64.560 64.560 63.703 0.856 18089
1955 1 5 . 1 1 39 39 THR CB C 39 69.750 69.750 69.310 0.440 18089
1956 1 5 . 1 1 39 39 THR H H 39 7.720 7.720 7.610 0.110 18089
1957 1 5 . 1 1 40 40 GLU N N 40 118.420 118.420 119.125 -0.705 18089
1958 1 5 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.387 0.333 18089
1959 1 5 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.639 0.151 18089
1960 1 5 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.939 -1.739 18089
1961 1 5 . 1 1 40 40 GLU H H 40 9.020 9.020 7.883 1.137 18089
1962 1 5 . 1 1 41 41 LEU N N 41 119.120 119.120 120.723 -1.603 18089
1963 1 5 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.571 0.559 18089
1964 1 5 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.604 -0.444 18089
1965 1 5 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.712 -0.672 18089
1966 1 5 . 1 1 41 41 LEU H H 41 7.760 7.760 7.703 0.057 18089
1967 1 5 . 1 1 42 42 SER N N 42 112.960 112.960 116.243 -3.283 18089
1968 1 5 . 1 1 42 42 SER HA H 42 3.870 3.870 4.401 -0.531 18089
1969 1 5 . 1 1 42 42 SER CA C 42 61.630 61.630 58.141 3.489 18089
1970 1 5 . 1 1 42 42 SER CB C 42 62.790 62.790 61.913 0.877 18089
1971 1 5 . 1 1 42 42 SER H H 42 6.940 6.940 8.205 -1.265 18089
1972 1 5 . 1 1 43 43 GLY N N 43 114.580 114.580 112.755 1.825 18089
1973 1 5 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.914 0.866 18089
1974 1 5 . 1 1 43 43 GLY H H 43 9.250 9.250 8.804 0.446 18089
1975 1 5 . 1 1 44 44 PHE N N 44 124.560 124.560 118.911 5.649 18089
1976 1 5 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.452 0.138 18089
1977 1 5 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.368 -1.888 18089
1978 1 5 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.366 -2.416 18089
1979 1 5 . 1 1 44 44 PHE H H 44 8.320 8.320 7.526 0.794 18089
1980 1 5 . 1 1 45 45 LEU N N 45 116.140 116.140 120.014 -3.874 18089
1981 1 5 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.033 0.137 18089
1982 1 5 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.666 -0.296 18089
1983 1 5 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.798 0.452 18089
1984 1 5 . 1 1 45 45 LEU H H 45 8.650 8.650 8.150 0.500 18089
1985 1 5 . 1 1 46 46 ASP N N 46 119.960 119.960 115.847 4.113 18089
1986 1 5 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.543 0.167 18089
1987 1 5 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.002 0.638 18089
1988 1 5 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.113 0.407 18089
1989 1 5 . 1 1 46 46 ASP H H 46 7.730 7.730 7.757 -0.027 18089
1990 1 5 . 1 1 47 47 ALA N N 47 124.260 124.260 121.650 2.610 18089
1991 1 5 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.634 -0.014 18089
1992 1 5 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.018 -1.508 18089
1993 1 5 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.310 -1.460 18089
1994 1 5 . 1 1 47 47 ALA H H 47 7.740 7.740 7.608 0.132 18089
1995 1 5 . 1 1 48 48 GLN N N 48 117.380 117.380 124.366 -6.986 18089
1996 1 5 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.465 -0.375 18089
1997 1 5 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.082 2.288 18089
1998 1 5 . 1 1 48 48 GLN CB C 48 30.470 30.470 30.025 0.445 18089
1999 1 5 . 1 1 48 48 GLN H H 48 7.650 7.650 8.402 -0.752 18089
2000 1 5 . 1 1 49 49 LYS N N 49 121.400 121.400 122.862 -1.462 18089
2001 1 5 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.323 -0.193 18089
2002 1 5 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.576 -0.336 18089
2003 1 5 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.090 -2.170 18089
2004 1 5 . 1 1 49 49 LYS H H 49 8.000 8.000 8.587 -0.587 18089
2005 1 5 . 1 1 50 50 ASP N N 50 119.180 119.180 122.500 -3.320 18089
2006 1 5 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.871 -0.211 18089
2007 1 5 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.437 -1.837 18089
2008 1 5 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.109 0.751 18089
2009 1 5 . 1 1 50 50 ASP H H 50 7.500 7.500 7.886 -0.386 18089
2010 1 5 . 1 1 51 51 VAL N N 51 122.100 122.100 124.132 -2.032 18089
2011 1 5 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.585 0.275 18089
2012 1 5 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.212 -1.462 18089
2013 1 5 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.932 0.038 18089
2014 1 5 . 1 1 51 51 VAL H H 51 7.670 7.670 8.612 -0.942 18089
2015 1 5 . 1 1 52 52 ASP N N 52 119.490 119.490 119.691 -0.201 18089
2016 1 5 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.329 0.021 18089
2017 1 5 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.640 -0.480 18089
2018 1 5 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.054 0.545 18089
2019 1 5 . 1 1 52 52 ASP H H 52 8.130 8.130 8.398 -0.268 18089
2020 1 5 . 1 1 53 53 ALA N N 53 122.220 122.220 122.389 -0.169 18089
2021 1 5 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.199 -0.179 18089
2022 1 5 . 1 1 53 53 ALA CA C 53 54.560 54.560 55.023 -0.463 18089
2023 1 5 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.522 0.218 18089
2024 1 5 . 1 1 53 53 ALA H H 53 7.540 7.540 7.854 -0.314 18089
2025 1 5 . 1 1 54 54 VAL N N 54 118.080 118.080 118.718 -0.638 18089
2026 1 5 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.582 -0.232 18089
2027 1 5 . 1 1 54 54 VAL CA C 54 66.580 66.580 67.010 -0.430 18089
2028 1 5 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.923 0.797 18089
2029 1 5 . 1 1 54 54 VAL H H 54 7.310 7.310 8.370 -1.060 18089
2030 1 5 . 1 1 55 55 ASP N N 55 119.630 119.630 119.868 -0.238 18089
2031 1 5 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.460 -0.180 18089
2032 1 5 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.285 0.095 18089
2033 1 5 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.732 0.178 18089
2034 1 5 . 1 1 55 55 ASP H H 55 8.530 8.530 8.783 -0.253 18089
2035 1 5 . 1 1 56 56 LYS N N 56 118.060 118.060 119.942 -1.882 18089
2036 1 5 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.107 -0.177 18089
2037 1 5 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.483 0.337 18089
2038 1 5 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.713 -0.213 18089
2039 1 5 . 1 1 56 56 LYS H H 56 7.950 7.950 7.655 0.295 18089
2040 1 5 . 1 1 57 57 VAL N N 57 119.310 119.310 121.407 -2.097 18089
2041 1 5 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.985 -0.265 18089
2042 1 5 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.389 1.670 18089
2043 1 5 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.815 0.275 18089
2044 1 5 . 1 1 57 57 VAL H H 57 7.280 7.280 8.114 -0.834 18089
2045 1 5 . 1 1 58 58 MET N N 58 115.980 115.980 118.923 -2.943 18089
2046 1 5 . 1 1 58 58 MET HA H 58 4.090 4.090 4.091 -0.001 18089
2047 1 5 . 1 1 58 58 MET CA C 58 57.370 57.370 58.952 -1.582 18089
2048 1 5 . 1 1 58 58 MET CB C 58 31.310 31.310 31.828 -0.518 18089
2049 1 5 . 1 1 58 58 MET H H 58 8.360 8.360 8.281 0.079 18089
2050 1 5 . 1 1 59 59 LYS N N 59 118.900 118.900 117.246 1.654 18089
2051 1 5 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.088 -0.018 18089
2052 1 5 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.067 0.203 18089
2053 1 5 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.909 0.601 18089
2054 1 5 . 1 1 59 59 LYS H H 59 8.620 8.620 7.820 0.800 18089
2055 1 5 . 1 1 60 60 GLU N N 60 119.830 119.830 121.086 -1.256 18089
2056 1 5 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.141 -0.071 18089
2057 1 5 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.952 0.318 18089
2058 1 5 . 1 1 60 60 GLU CB C 60 28.660 28.660 29.903 -1.243 18089
2059 1 5 . 1 1 60 60 GLU H H 60 7.430 7.430 7.605 -0.175 18089
2060 1 5 . 1 1 61 61 LEU N N 61 116.920 116.920 120.988 -4.068 18089
2061 1 5 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.114 -0.164 18089
2062 1 5 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.654 -0.384 18089
2063 1 5 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.280 -0.730 18089
2064 1 5 . 1 1 61 61 LEU H H 61 7.580 7.580 8.505 -0.925 18089
2065 1 5 . 1 1 62 62 ASP N N 62 116.060 116.060 118.581 -2.521 18089
2066 1 5 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.381 0.079 18089
2067 1 5 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.906 -0.746 18089
2068 1 5 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.039 0.601 18089
2069 1 5 . 1 1 62 62 ASP H H 62 7.610 7.610 7.783 -0.173 18089
2070 1 5 . 1 1 63 63 GLU N N 63 118.870 118.870 114.529 4.341 18089
2071 1 5 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.299 -0.199 18089
2072 1 5 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.862 0.178 18089
2073 1 5 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.000 0.050 18089
2074 1 5 . 1 1 63 63 GLU H H 63 8.120 8.120 7.821 0.299 18089
2075 1 5 . 1 1 64 64 ASN N N 64 117.720 117.720 119.190 -1.470 18089
2076 1 5 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.745 0.415 18089
2077 1 5 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.305 -2.375 18089
2078 1 5 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.497 0.153 18089
2079 1 5 . 1 1 64 64 ASN H H 64 7.720 7.720 8.659 -0.939 18089
2080 1 5 . 1 1 65 65 GLY N N 65 107.110 107.110 109.537 -2.427 18089
2081 1 5 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.713 1.197 18089
2082 1 5 . 1 1 65 65 GLY H H 65 7.750 7.750 8.493 -0.743 18089
2083 1 5 . 1 1 66 66 ASP N N 66 115.600 115.600 120.933 -5.333 18089
2084 1 5 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.719 0.121 18089
2085 1 5 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.542 -0.492 18089
2086 1 5 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.994 -0.394 18089
2087 1 5 . 1 1 66 66 ASP H H 66 8.320 8.320 7.625 0.695 18089
2088 1 5 . 1 1 67 67 GLY N N 67 109.220 109.220 108.640 0.580 18089
2089 1 5 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.365 0.445 18089
2090 1 5 . 1 1 67 67 GLY H H 67 8.260 8.260 7.600 0.660 18089
2091 1 5 . 1 1 68 68 GLU N N 68 117.450 117.450 118.986 -1.536 18089
2092 1 5 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.945 0.305 18089
2093 1 5 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.146 -0.176 18089
2094 1 5 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.044 1.875 18089
2095 1 5 . 1 1 68 68 GLU H H 68 8.500 8.500 8.297 0.203 18089
2096 1 5 . 1 1 69 69 VAL N N 69 115.390 115.390 115.439 -0.049 18089
2097 1 5 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.593 0.377 18089
2098 1 5 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.786 -0.656 18089
2099 1 5 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.643 0.447 18089
2100 1 5 . 1 1 69 69 VAL H H 69 9.190 9.190 9.150 0.040 18089
2101 1 5 . 1 1 70 70 ASP N N 70 120.970 120.970 117.799 3.171 18089
2102 1 5 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.274 0.296 18089
2103 1 5 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.704 -1.664 18089
2104 1 5 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.166 -0.426 18089
2105 1 5 . 1 1 70 70 ASP H H 70 8.300 8.300 8.178 0.122 18089
2106 1 5 . 1 1 71 71 PHE N N 71 119.360 119.360 119.693 -0.333 18089
2107 1 5 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.150 0.330 18089
2108 1 5 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.722 -0.222 18089
2109 1 5 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.701 0.899 18089
2110 1 5 . 1 1 71 71 PHE H H 71 9.520 9.520 8.900 0.620 18089
2111 1 5 . 1 1 72 72 GLN N N 72 116.880 116.880 118.685 -1.805 18089
2112 1 5 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.916 -0.496 18089
2113 1 5 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.067 1.713 18089
2114 1 5 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.387 0.592 18089
2115 1 5 . 1 1 72 72 GLN H H 72 8.180 8.180 8.332 -0.152 18089
2116 1 5 . 1 1 73 73 GLU N N 73 119.720 119.720 119.076 0.644 18089
2117 1 5 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.019 -0.029 18089
2118 1 5 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.724 0.466 18089
2119 1 5 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.290 1.180 18089
2120 1 5 . 1 1 73 73 GLU H H 73 8.250 8.250 7.952 0.298 18089
2121 1 5 . 1 1 74 74 TYR N N 74 122.440 122.440 121.490 0.950 18089
2122 1 5 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.118 0.222 18089
2123 1 5 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.162 -0.892 18089
2124 1 5 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.183 -1.363 18089
2125 1 5 . 1 1 74 74 TYR H H 74 8.250 8.250 7.751 0.499 18089
2126 1 5 . 1 1 75 75 VAL N N 75 120.220 120.220 117.830 2.390 18089
2127 1 5 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.401 -0.741 18089
2128 1 5 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.801 1.179 18089
2129 1 5 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.601 -1.121 18089
2130 1 5 . 1 1 75 75 VAL H H 75 8.010 8.010 7.332 0.678 18089
2131 1 5 . 1 1 76 76 VAL N N 76 119.350 119.350 120.584 -1.234 18089
2132 1 5 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.734 -0.384 18089
2133 1 5 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.158 1.452 18089
2134 1 5 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.607 0.103 18089
2135 1 5 . 1 1 76 76 VAL H H 76 7.540 7.540 8.146 -0.606 18089
2136 1 5 . 1 1 77 77 LEU N N 77 121.420 121.420 120.497 0.923 18089
2137 1 5 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.955 0.225 18089
2138 1 5 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.342 -0.082 18089
2139 1 5 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.068 0.882 18089
2140 1 5 . 1 1 77 77 LEU H H 77 7.760 7.760 8.277 -0.517 18089
2141 1 5 . 1 1 78 78 VAL N N 78 119.530 119.530 113.971 5.559 18089
2142 1 5 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.768 -0.328 18089
2143 1 5 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.707 2.524 18089
2144 1 5 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.396 1.014 18089
2145 1 5 . 1 1 78 78 VAL H H 78 8.370 8.370 7.163 1.207 18089
2146 1 5 . 1 1 79 79 ALA N N 79 125.030 125.030 123.601 1.429 18089
2147 1 5 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.009 0.021 18089
2148 1 5 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.262 1.808 18089
2149 1 5 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.409 -0.389 18089
2150 1 5 . 1 1 79 79 ALA H H 79 9.070 9.070 7.140 1.930 18089
2151 1 5 . 1 1 80 80 ALA N N 80 122.060 122.060 121.508 0.552 18089
2152 1 5 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.870 0.120 18089
2153 1 5 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.977 0.403 18089
2154 1 5 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.155 -0.595 18089
2155 1 5 . 1 1 80 80 ALA H H 80 8.350 8.350 8.496 -0.146 18089
2156 1 5 . 1 1 81 81 LEU N N 81 117.650 117.650 116.300 1.350 18089
2157 1 5 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.753 0.297 18089
2158 1 5 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.304 0.385 18089
2159 1 5 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.458 0.372 18089
2160 1 5 . 1 1 81 81 LEU H H 81 8.060 8.060 7.341 0.719 18089
2161 1 5 . 1 1 82 82 THR N N 82 117.560 117.560 114.855 2.705 18089
2162 1 5 . 1 1 82 82 THR HA H 82 3.680 3.680 2.768 0.912 18089
2163 1 5 . 1 1 82 82 THR CA C 82 68.820 68.820 66.410 2.410 18089
2164 1 5 . 1 1 82 82 THR CB C 82 67.570 67.570 68.525 -0.955 18089
2165 1 5 . 1 1 82 82 THR H H 82 8.320 8.320 6.767 1.553 18089
2166 1 5 . 1 1 83 83 VAL N N 83 121.390 121.390 117.188 4.202 18089
2167 1 5 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.499 -0.409 18089
2168 1 5 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.478 -0.358 18089
2169 1 5 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.989 -0.109 18089
2170 1 5 . 1 1 83 83 VAL H H 83 8.000 8.000 7.713 0.287 18089
2171 1 5 . 1 1 84 84 ALA N N 84 116.970 116.970 123.915 -6.945 18089
2172 1 5 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.008 0.572 18089
2173 1 5 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.839 -1.199 18089
2174 1 5 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.058 2.762 18089
2175 1 5 . 1 1 84 84 ALA H H 84 7.100 7.100 7.093 0.007 18089
2176 1 5 . 1 1 85 85 CYS N N 85 112.170 112.170 116.105 -3.935 18089
2177 1 5 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.433 0.107 18089
2178 1 5 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.724 0.606 18089
2179 1 5 . 1 1 85 85 CYS CB C 85 32.390 32.390 25.726 6.664 18089
2180 1 5 . 1 1 85 85 CYS H H 85 7.360 7.360 7.725 -0.365 18089
2181 1 5 . 1 1 86 86 ASN N N 86 118.980 118.980 119.721 -0.741 18089
2182 1 5 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.712 -0.232 18089
2183 1 5 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.757 -0.007 18089
2184 1 5 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.935 2.175 18089
2185 1 5 . 1 1 86 86 ASN H H 86 8.440 8.440 7.879 0.561 18089
2186 1 5 . 1 1 87 87 ASN N N 87 124.820 124.820 120.949 3.871 18089
2187 1 5 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.029 0.321 18089
2188 1 5 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.662 0.828 18089
2189 1 5 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.844 0.486 18089
2190 1 5 . 1 1 87 87 ASN H H 87 9.210 9.210 8.335 0.875 18089
2191 1 5 . 1 1 88 88 PHE N N 88 120.560 120.560 120.544 0.016 18089
2192 1 5 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.605 0.505 18089
2193 1 5 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.312 0.168 18089
2194 1 5 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.924 0.536 18089
2195 1 5 . 1 1 88 88 PHE H H 88 8.690 8.690 7.305 1.385 18089
2196 1 5 . 1 1 89 89 PHE N N 89 112.650 112.650 117.867 -5.217 18089
2197 1 5 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.401 -0.641 18089
2198 1 5 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.569 0.431 18089
2199 1 5 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.442 0.578 18089
2200 1 5 . 1 1 89 89 PHE H H 89 7.440 7.440 8.218 -0.778 18089
2201 1 5 . 1 1 90 90 TRP N N 90 118.650 118.650 118.744 -0.094 18089
2202 1 5 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.643 -0.052 18089
2203 1 5 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.876 1.424 18089
2204 1 5 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.643 4.807 18089
2205 1 5 . 1 1 90 90 TRP H H 90 7.360 7.360 7.679 -0.319 18089
2206 1 5 . 1 1 91 91 GLU N N 91 121.410 121.410 120.645 0.765 18089
2207 1 5 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.199 0.151 18089
2208 1 5 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.431 0.059 18089
2209 1 5 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.061 0.409 18089
2210 1 5 . 1 1 91 91 GLU H H 91 7.820 7.820 7.947 -0.127 18089
2211 1 5 . 1 1 92 92 ASN N N 92 120.680 120.680 120.085 0.595 18089
2212 1 5 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.612 0.118 18089
2213 1 5 . 1 1 92 92 ASN CA C 92 52.820 52.820 54.006 -1.186 18089
2214 1 5 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.652 0.358 18089
2215 1 5 . 1 1 92 92 ASN H H 92 8.590 8.590 8.602 -0.012 18089
2216 1 6 . 1 1 2 2 SER N N 2 118.700 118.700 115.585 3.115 18089
2217 1 6 . 1 1 2 2 SER HA H 2 4.680 4.680 4.637 0.043 18089
2218 1 6 . 1 1 2 2 SER CA C 2 57.280 57.280 56.986 0.294 18089
2219 1 6 . 1 1 2 2 SER CB C 2 65.190 65.190 64.986 0.204 18089
2220 1 6 . 1 1 2 2 SER H H 2 9.250 9.250 8.575 0.675 18089
2221 1 6 . 1 1 3 3 GLU N N 3 122.910 122.910 122.117 0.793 18089
2222 1 6 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.203 -0.093 18089
2223 1 6 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.854 1.626 18089
2224 1 6 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.788 -0.778 18089
2225 1 6 . 1 1 3 3 GLU H H 3 9.250 9.250 8.843 0.407 18089
2226 1 6 . 1 1 4 4 LEU N N 4 121.150 121.150 117.741 3.409 18089
2227 1 6 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.013 0.037 18089
2228 1 6 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.684 0.006 18089
2229 1 6 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.169 0.981 18089
2230 1 6 . 1 1 4 4 LEU H H 4 8.940 8.940 8.260 0.680 18089
2231 1 6 . 1 1 5 5 GLU N N 5 118.630 118.630 119.050 -0.420 18089
2232 1 6 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.026 -0.786 18089
2233 1 6 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.477 0.233 18089
2234 1 6 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.372 -0.402 18089
2235 1 6 . 1 1 5 5 GLU H H 5 7.840 7.840 8.683 -0.843 18089
2236 1 6 . 1 1 6 6 THR N N 6 116.040 116.040 115.202 0.838 18089
2237 1 6 . 1 1 6 6 THR HA H 6 4.000 4.000 4.071 -0.071 18089
2238 1 6 . 1 1 6 6 THR CA C 6 66.620 66.620 65.273 1.347 18089
2239 1 6 . 1 1 6 6 THR CB C 6 68.650 68.650 68.243 0.407 18089
2240 1 6 . 1 1 6 6 THR H H 6 8.430 8.430 7.836 0.594 18089
2241 1 6 . 1 1 7 7 ALA N N 7 125.730 125.730 124.873 0.857 18089
2242 1 6 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.062 0.208 18089
2243 1 6 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.061 0.529 18089
2244 1 6 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.454 -0.304 18089
2245 1 6 . 1 1 7 7 ALA H H 7 8.290 8.290 7.183 1.107 18089
2246 1 6 . 1 1 8 8 MET N N 8 115.120 115.120 116.306 -1.186 18089
2247 1 6 . 1 1 8 8 MET HA H 8 4.870 4.870 4.129 0.741 18089
2248 1 6 . 1 1 8 8 MET CA C 8 56.540 56.540 59.016 -2.476 18089
2249 1 6 . 1 1 8 8 MET CB C 8 28.950 28.950 31.779 -2.829 18089
2250 1 6 . 1 1 8 8 MET H H 8 8.100 8.100 7.595 0.505 18089
2251 1 6 . 1 1 9 9 GLU N N 9 120.560 120.560 118.816 1.744 18089
2252 1 6 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.020 0.090 18089
2253 1 6 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.326 1.154 18089
2254 1 6 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.882 -0.042 18089
2255 1 6 . 1 1 9 9 GLU H H 9 8.710 8.710 7.956 0.754 18089
2256 1 6 . 1 1 10 10 THR N N 10 118.800 118.800 113.169 5.631 18089
2257 1 6 . 1 1 10 10 THR HA H 10 4.120 4.120 4.144 -0.024 18089
2258 1 6 . 1 1 10 10 THR CA C 10 67.230 67.230 65.313 1.917 18089
2259 1 6 . 1 1 10 10 THR CB C 10 67.570 67.570 68.856 -1.286 18089
2260 1 6 . 1 1 10 10 THR H H 10 8.470 8.470 8.051 0.419 18089
2261 1 6 . 1 1 11 11 LEU N N 11 121.860 121.860 121.107 0.753 18089
2262 1 6 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.318 -0.208 18089
2263 1 6 . 1 1 11 11 LEU CA C 11 60.480 60.480 58.111 2.369 18089
2264 1 6 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.977 0.963 18089
2265 1 6 . 1 1 11 11 LEU H H 11 8.340 8.340 7.834 0.506 18089
2266 1 6 . 1 1 12 12 ILE N N 12 121.270 121.270 117.409 3.861 18089
2267 1 6 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.154 -0.604 18089
2268 1 6 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.754 1.406 18089
2269 1 6 . 1 1 12 12 ILE CB C 12 38.400 38.400 38.025 0.375 18089
2270 1 6 . 1 1 12 12 ILE H H 12 8.480 8.480 7.619 0.861 18089
2271 1 6 . 1 1 13 13 ASN N N 13 120.510 120.510 120.212 0.298 18089
2272 1 6 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.499 -0.149 18089
2273 1 6 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.404 0.086 18089
2274 1 6 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.670 0.270 18089
2275 1 6 . 1 1 13 13 ASN H H 13 8.690 8.690 8.624 0.066 18089
2276 1 6 . 1 1 14 14 VAL N N 14 121.990 121.990 119.571 2.419 18089
2277 1 6 . 1 1 14 14 VAL HA H 14 3.870 3.870 4.023 -0.153 18089
2278 1 6 . 1 1 14 14 VAL CA C 14 66.550 66.550 63.784 2.766 18089
2279 1 6 . 1 1 14 14 VAL CB C 14 31.710 31.710 31.626 0.084 18089
2280 1 6 . 1 1 14 14 VAL H H 14 8.880 8.880 7.472 1.408 18089
2281 1 6 . 1 1 15 15 PHE N N 15 120.470 120.470 119.590 0.880 18089
2282 1 6 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.870 -0.300 18089
2283 1 6 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.005 1.475 18089
2284 1 6 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.165 0.335 18089
2285 1 6 . 1 1 15 15 PHE H H 15 7.480 7.480 7.953 -0.473 18089
2286 1 6 . 1 1 16 16 HIS N N 16 118.280 118.280 116.661 1.619 18089
2287 1 6 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.410 0.840 18089
2288 1 6 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.777 -3.807 18089
2289 1 6 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.646 -0.516 18089
2290 1 6 . 1 1 16 16 HIS H H 16 9.270 9.270 8.212 1.058 18089
2291 1 6 . 1 1 17 17 ALA N N 17 121.080 121.080 122.418 -1.338 18089
2292 1 6 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.078 -0.238 18089
2293 1 6 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.365 0.075 18089
2294 1 6 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.789 -1.189 18089
2295 1 6 . 1 1 17 17 ALA H H 17 8.160 8.160 7.325 0.835 18089
2296 1 6 . 1 1 18 18 HIS N N 18 112.570 112.570 115.293 -2.723 18089
2297 1 6 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.572 -0.222 18089
2298 1 6 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.239 1.251 18089
2299 1 6 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.751 1.239 18089
2300 1 6 . 1 1 18 18 HIS H H 18 7.410 7.410 7.768 -0.358 18089
2301 1 6 . 1 1 19 19 SER HA H 19 4.110 4.110 4.249 -0.139 18089
2302 1 6 . 1 1 19 19 SER CA C 19 60.480 60.480 58.151 2.329 18089
2303 1 6 . 1 1 19 19 SER CB C 19 61.800 61.800 64.175 -2.375 18089
2304 1 6 . 1 1 20 20 GLY N N 20 106.720 106.720 113.699 -6.979 18089
2305 1 6 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.338 -0.098 18089
2306 1 6 . 1 1 20 20 GLY H H 20 8.260 8.260 8.375 -0.115 18089
2307 1 6 . 1 1 21 21 LYS N N 21 120.240 120.240 121.477 -1.237 18089
2308 1 6 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.958 0.032 18089
2309 1 6 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.383 0.077 18089
2310 1 6 . 1 1 21 21 LYS CB C 21 32.500 32.500 31.988 0.513 18089
2311 1 6 . 1 1 21 21 LYS H H 21 7.640 7.640 8.153 -0.513 18089
2312 1 6 . 1 1 22 22 GLU N N 22 117.060 117.060 118.134 -1.074 18089
2313 1 6 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.170 0.260 18089
2314 1 6 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.604 -2.224 18089
2315 1 6 . 1 1 22 22 GLU CB C 22 31.040 31.040 30.020 1.020 18089
2316 1 6 . 1 1 22 22 GLU H H 22 7.840 7.840 8.271 -0.431 18089
2317 1 6 . 1 1 23 23 GLY N N 23 107.770 107.770 105.081 2.689 18089
2318 1 6 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.748 1.082 18089
2319 1 6 . 1 1 23 23 GLY H H 23 8.100 8.100 8.293 -0.193 18089
2320 1 6 . 1 1 24 24 ASP N N 24 122.990 122.990 120.313 2.677 18089
2321 1 6 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.852 -0.272 18089
2322 1 6 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.514 1.096 18089
2323 1 6 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.608 -0.247 18089
2324 1 6 . 1 1 24 24 ASP H H 24 8.190 8.190 7.997 0.193 18089
2325 1 6 . 1 1 25 25 LYS N N 25 124.920 124.920 121.035 3.885 18089
2326 1 6 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.172 -0.082 18089
2327 1 6 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.087 0.283 18089
2328 1 6 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.663 -0.653 18089
2329 1 6 . 1 1 25 25 LYS H H 25 8.440 8.440 8.460 -0.020 18089
2330 1 6 . 1 1 26 26 TYR N N 26 117.220 117.220 116.640 0.580 18089
2331 1 6 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.756 0.364 18089
2332 1 6 . 1 1 26 26 TYR CA C 26 57.380 57.380 58.190 -0.810 18089
2333 1 6 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.459 -0.759 18089
2334 1 6 . 1 1 26 26 TYR H H 26 8.490 8.490 8.296 0.194 18089
2335 1 6 . 1 1 27 27 LYS N N 27 118.300 118.300 118.383 -0.083 18089
2336 1 6 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.467 0.023 18089
2337 1 6 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.475 -0.655 18089
2338 1 6 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.902 0.558 18089
2339 1 6 . 1 1 27 27 LYS H H 27 7.870 7.870 7.314 0.556 18089
2340 1 6 . 1 1 28 28 LEU N N 28 121.380 121.380 120.670 0.710 18089
2341 1 6 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.614 0.116 18089
2342 1 6 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.354 -1.534 18089
2343 1 6 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.892 0.478 18089
2344 1 6 . 1 1 28 28 LEU H H 28 8.830 8.830 8.804 0.026 18089
2345 1 6 . 1 1 29 29 SER N N 29 120.620 120.620 116.173 4.447 18089
2346 1 6 . 1 1 29 29 SER HA H 29 5.030 5.030 4.936 0.094 18089
2347 1 6 . 1 1 29 29 SER CA C 29 57.890 57.890 57.583 0.307 18089
2348 1 6 . 1 1 29 29 SER CB C 29 64.270 64.270 64.635 -0.365 18089
2349 1 6 . 1 1 29 29 SER H H 29 8.940 8.940 8.516 0.424 18089
2350 1 6 . 1 1 30 30 LYS N N 30 124.430 124.430 122.020 2.410 18089
2351 1 6 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.151 -0.281 18089
2352 1 6 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.899 1.731 18089
2353 1 6 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.624 -0.915 18089
2354 1 6 . 1 1 30 30 LYS H H 30 8.820 8.820 8.856 -0.036 18089
2355 1 6 . 1 1 31 31 LYS N N 31 120.230 120.230 119.031 1.199 18089
2356 1 6 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.977 0.193 18089
2357 1 6 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.233 0.107 18089
2358 1 6 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.965 0.535 18089
2359 1 6 . 1 1 31 31 LYS H H 31 8.730 8.730 7.431 1.299 18089
2360 1 6 . 1 1 32 32 GLU N N 32 121.570 121.570 120.103 1.467 18089
2361 1 6 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.072 0.028 18089
2362 1 6 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.080 -1.040 18089
2363 1 6 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.277 -0.607 18089
2364 1 6 . 1 1 32 32 GLU H H 32 7.780 7.780 7.772 0.008 18089
2365 1 6 . 1 1 33 33 LEU N N 33 121.620 121.620 118.791 2.829 18089
2366 1 6 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.840 0.160 18089
2367 1 6 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.723 -0.433 18089
2368 1 6 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.702 -1.202 18089
2369 1 6 . 1 1 33 33 LEU H H 33 8.910 8.910 7.482 1.428 18089
2370 1 6 . 1 1 34 34 LYS N N 34 120.460 120.460 118.766 1.694 18089
2371 1 6 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.029 -0.409 18089
2372 1 6 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.531 1.409 18089
2373 1 6 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.300 -0.890 18089
2374 1 6 . 1 1 34 34 LYS H H 34 8.440 8.440 7.963 0.477 18089
2375 1 6 . 1 1 35 35 GLU N N 35 117.190 117.190 119.447 -2.257 18089
2376 1 6 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.413 -0.343 18089
2377 1 6 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.967 0.303 18089
2378 1 6 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.532 -0.502 18089
2379 1 6 . 1 1 35 35 GLU H H 35 7.200 7.200 7.696 -0.496 18089
2380 1 6 . 1 1 36 36 LEU N N 36 122.760 122.760 118.455 4.305 18089
2381 1 6 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.268 -0.508 18089
2382 1 6 . 1 1 36 36 LEU CA C 36 59.000 59.000 58.058 0.942 18089
2383 1 6 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.125 1.155 18089
2384 1 6 . 1 1 36 36 LEU H H 36 8.310 8.310 7.379 0.931 18089
2385 1 6 . 1 1 37 37 LEU N N 37 120.220 120.220 119.182 1.038 18089
2386 1 6 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.028 -0.348 18089
2387 1 6 . 1 1 37 37 LEU CA C 37 58.320 58.320 58.123 0.197 18089
2388 1 6 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.163 -0.643 18089
2389 1 6 . 1 1 37 37 LEU H H 37 8.820 8.820 8.172 0.648 18089
2390 1 6 . 1 1 38 38 GLN N N 38 113.470 113.470 115.896 -2.426 18089
2391 1 6 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.266 -0.506 18089
2392 1 6 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.022 0.978 18089
2393 1 6 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.606 0.254 18089
2394 1 6 . 1 1 38 38 GLN H H 38 8.110 8.110 8.009 0.101 18089
2395 1 6 . 1 1 39 39 THR N N 39 109.960 109.960 113.082 -3.122 18089
2396 1 6 . 1 1 39 39 THR HA H 39 4.290 4.290 4.433 -0.143 18089
2397 1 6 . 1 1 39 39 THR CA C 39 64.560 64.560 62.550 2.010 18089
2398 1 6 . 1 1 39 39 THR CB C 39 69.750 69.750 69.525 0.226 18089
2399 1 6 . 1 1 39 39 THR H H 39 7.720 7.720 7.568 0.152 18089
2400 1 6 . 1 1 40 40 GLU N N 40 118.420 118.420 120.388 -1.968 18089
2401 1 6 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.409 0.311 18089
2402 1 6 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.453 -0.663 18089
2403 1 6 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.144 -1.944 18089
2404 1 6 . 1 1 40 40 GLU H H 40 9.020 9.020 8.660 0.360 18089
2405 1 6 . 1 1 41 41 LEU N N 41 119.120 119.120 117.221 1.899 18089
2406 1 6 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.651 0.479 18089
2407 1 6 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.281 -2.121 18089
2408 1 6 . 1 1 41 41 LEU CB C 41 42.040 42.040 44.460 -2.420 18089
2409 1 6 . 1 1 41 41 LEU H H 41 7.760 7.760 7.467 0.293 18089
2410 1 6 . 1 1 42 42 SER N N 42 112.960 112.960 116.847 -3.887 18089
2411 1 6 . 1 1 42 42 SER HA H 42 3.870 3.870 4.044 -0.174 18089
2412 1 6 . 1 1 42 42 SER CA C 42 61.630 61.630 59.316 2.314 18089
2413 1 6 . 1 1 42 42 SER CB C 42 62.790 62.790 61.270 1.520 18089
2414 1 6 . 1 1 42 42 SER H H 42 6.940 6.940 8.297 -1.357 18089
2415 1 6 . 1 1 43 43 GLY N N 43 114.580 114.580 109.258 5.322 18089
2416 1 6 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.391 1.389 18089
2417 1 6 . 1 1 43 43 GLY H H 43 9.250 9.250 7.999 1.251 18089
2418 1 6 . 1 1 44 44 PHE N N 44 124.560 124.560 117.736 6.824 18089
2419 1 6 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.453 0.137 18089
2420 1 6 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.240 -1.760 18089
2421 1 6 . 1 1 44 44 PHE CB C 44 35.950 35.950 37.763 -1.813 18089
2422 1 6 . 1 1 44 44 PHE H H 44 8.320 8.320 6.418 1.902 18089
2423 1 6 . 1 1 45 45 LEU N N 45 116.140 116.140 119.937 -3.797 18089
2424 1 6 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.071 0.099 18089
2425 1 6 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.539 -0.169 18089
2426 1 6 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.770 0.480 18089
2427 1 6 . 1 1 45 45 LEU H H 45 8.650 8.650 8.031 0.619 18089
2428 1 6 . 1 1 46 46 ASP N N 46 119.960 119.960 116.034 3.926 18089
2429 1 6 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.556 0.154 18089
2430 1 6 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.624 1.016 18089
2431 1 6 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.204 0.316 18089
2432 1 6 . 1 1 46 46 ASP H H 46 7.730 7.730 7.607 0.123 18089
2433 1 6 . 1 1 47 47 ALA N N 47 124.260 124.260 121.167 3.093 18089
2434 1 6 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.577 0.043 18089
2435 1 6 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.194 -1.684 18089
2436 1 6 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.032 -1.182 18089
2437 1 6 . 1 1 47 47 ALA H H 47 7.740 7.740 7.616 0.124 18089
2438 1 6 . 1 1 48 48 GLN N N 48 117.380 117.380 121.772 -4.392 18089
2439 1 6 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.364 -0.274 18089
2440 1 6 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.550 1.820 18089
2441 1 6 . 1 1 48 48 GLN CB C 48 30.470 30.470 30.165 0.305 18089
2442 1 6 . 1 1 48 48 GLN H H 48 7.650 7.650 8.212 -0.562 18089
2443 1 6 . 1 1 49 49 LYS N N 49 121.400 121.400 123.841 -2.441 18089
2444 1 6 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.465 -0.336 18089
2445 1 6 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.404 -0.164 18089
2446 1 6 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.448 -2.528 18089
2447 1 6 . 1 1 49 49 LYS H H 49 8.000 8.000 8.534 -0.534 18089
2448 1 6 . 1 1 50 50 ASP N N 50 119.180 119.180 123.174 -3.994 18089
2449 1 6 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.888 -0.228 18089
2450 1 6 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.628 -2.028 18089
2451 1 6 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.882 -0.022 18089
2452 1 6 . 1 1 50 50 ASP H H 50 7.500 7.500 8.376 -0.876 18089
2453 1 6 . 1 1 51 51 VAL N N 51 122.100 122.100 125.306 -3.206 18089
2454 1 6 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.607 0.253 18089
2455 1 6 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.169 -1.419 18089
2456 1 6 . 1 1 51 51 VAL CB C 51 31.970 31.970 32.006 -0.036 18089
2457 1 6 . 1 1 51 51 VAL H H 51 7.670 7.670 7.967 -0.297 18089
2458 1 6 . 1 1 52 52 ASP N N 52 119.490 119.490 120.836 -1.346 18089
2459 1 6 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.398 -0.048 18089
2460 1 6 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.720 -0.560 18089
2461 1 6 . 1 1 52 52 ASP CB C 52 40.600 40.600 39.839 0.761 18089
2462 1 6 . 1 1 52 52 ASP H H 52 8.130 8.130 8.321 -0.191 18089
2463 1 6 . 1 1 53 53 ALA N N 53 122.220 122.220 122.016 0.204 18089
2464 1 6 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.209 -0.189 18089
2465 1 6 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.990 -0.430 18089
2466 1 6 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.512 0.227 18089
2467 1 6 . 1 1 53 53 ALA H H 53 7.540 7.540 8.339 -0.799 18089
2468 1 6 . 1 1 54 54 VAL N N 54 118.080 118.080 118.662 -0.582 18089
2469 1 6 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.564 -0.214 18089
2470 1 6 . 1 1 54 54 VAL CA C 54 66.580 66.580 67.003 -0.423 18089
2471 1 6 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.227 0.493 18089
2472 1 6 . 1 1 54 54 VAL H H 54 7.310 7.310 8.218 -0.908 18089
2473 1 6 . 1 1 55 55 ASP N N 55 119.630 119.630 119.996 -0.366 18089
2474 1 6 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.453 -0.173 18089
2475 1 6 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.440 -0.060 18089
2476 1 6 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.839 0.071 18089
2477 1 6 . 1 1 55 55 ASP H H 55 8.530 8.530 8.642 -0.112 18089
2478 1 6 . 1 1 56 56 LYS N N 56 118.060 118.060 119.945 -1.885 18089
2479 1 6 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.051 -0.121 18089
2480 1 6 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.553 0.266 18089
2481 1 6 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.662 -0.162 18089
2482 1 6 . 1 1 56 56 LYS H H 56 7.950 7.950 8.030 -0.080 18089
2483 1 6 . 1 1 57 57 VAL N N 57 119.310 119.310 120.934 -1.624 18089
2484 1 6 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.898 -0.178 18089
2485 1 6 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.668 1.392 18089
2486 1 6 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.369 -0.279 18089
2487 1 6 . 1 1 57 57 VAL H H 57 7.280 7.280 8.068 -0.788 18089
2488 1 6 . 1 1 58 58 MET N N 58 115.980 115.980 119.064 -3.084 18089
2489 1 6 . 1 1 58 58 MET HA H 58 4.090 4.090 4.009 0.081 18089
2490 1 6 . 1 1 58 58 MET CA C 58 57.370 57.370 58.992 -1.622 18089
2491 1 6 . 1 1 58 58 MET CB C 58 31.310 31.310 31.762 -0.452 18089
2492 1 6 . 1 1 58 58 MET H H 58 8.360 8.360 8.147 0.213 18089
2493 1 6 . 1 1 59 59 LYS N N 59 118.900 118.900 117.194 1.706 18089
2494 1 6 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.015 0.055 18089
2495 1 6 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.344 -0.074 18089
2496 1 6 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.808 0.702 18089
2497 1 6 . 1 1 59 59 LYS H H 59 8.620 8.620 7.918 0.702 18089
2498 1 6 . 1 1 60 60 GLU N N 60 119.830 119.830 121.542 -1.712 18089
2499 1 6 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.387 -0.317 18089
2500 1 6 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.728 0.542 18089
2501 1 6 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.039 -1.379 18089
2502 1 6 . 1 1 60 60 GLU H H 60 7.430 7.430 7.522 -0.092 18089
2503 1 6 . 1 1 61 61 LEU N N 61 116.920 116.920 121.008 -4.088 18089
2504 1 6 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.093 -0.143 18089
2505 1 6 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.652 -0.382 18089
2506 1 6 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.381 -0.831 18089
2507 1 6 . 1 1 61 61 LEU H H 61 7.580 7.580 8.661 -1.081 18089
2508 1 6 . 1 1 62 62 ASP N N 62 116.060 116.060 118.291 -2.231 18089
2509 1 6 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.383 0.077 18089
2510 1 6 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.194 -1.034 18089
2511 1 6 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.151 0.489 18089
2512 1 6 . 1 1 62 62 ASP H H 62 7.610 7.610 8.063 -0.453 18089
2513 1 6 . 1 1 63 63 GLU N N 63 118.870 118.870 115.308 3.562 18089
2514 1 6 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.304 -0.204 18089
2515 1 6 . 1 1 63 63 GLU CA C 63 58.040 58.040 58.047 -0.007 18089
2516 1 6 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.193 -0.143 18089
2517 1 6 . 1 1 63 63 GLU H H 63 8.120 8.120 7.632 0.488 18089
2518 1 6 . 1 1 64 64 ASN N N 64 117.720 117.720 118.464 -0.744 18089
2519 1 6 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.826 0.334 18089
2520 1 6 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.706 -2.776 18089
2521 1 6 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.052 -0.402 18089
2522 1 6 . 1 1 64 64 ASN H H 64 7.720 7.720 8.563 -0.843 18089
2523 1 6 . 1 1 65 65 GLY N N 65 107.110 107.110 109.639 -2.529 18089
2524 1 6 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.099 0.812 18089
2525 1 6 . 1 1 65 65 GLY H H 65 7.750 7.750 8.859 -1.109 18089
2526 1 6 . 1 1 66 66 ASP N N 66 115.600 115.600 120.609 -5.009 18089
2527 1 6 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.775 0.065 18089
2528 1 6 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.965 0.085 18089
2529 1 6 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.717 -0.117 18089
2530 1 6 . 1 1 66 66 ASP H H 66 8.320 8.320 7.666 0.654 18089
2531 1 6 . 1 1 67 67 GLY N N 67 109.220 109.220 109.496 -0.276 18089
2532 1 6 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.057 0.753 18089
2533 1 6 . 1 1 67 67 GLY H H 67 8.260 8.260 8.127 0.133 18089
2534 1 6 . 1 1 68 68 GLU N N 68 117.450 117.450 119.070 -1.620 18089
2535 1 6 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.028 0.222 18089
2536 1 6 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.165 -0.195 18089
2537 1 6 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.700 1.220 18089
2538 1 6 . 1 1 68 68 GLU H H 68 8.500 8.500 8.126 0.374 18089
2539 1 6 . 1 1 69 69 VAL N N 69 115.390 115.390 120.600 -5.210 18089
2540 1 6 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.826 0.144 18089
2541 1 6 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.740 -0.610 18089
2542 1 6 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.463 -0.373 18089
2543 1 6 . 1 1 69 69 VAL H H 69 9.190 9.190 9.137 0.053 18089
2544 1 6 . 1 1 70 70 ASP N N 70 120.970 120.970 117.710 3.260 18089
2545 1 6 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.250 0.320 18089
2546 1 6 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.753 -1.713 18089
2547 1 6 . 1 1 70 70 ASP CB C 70 42.740 42.740 42.991 -0.251 18089
2548 1 6 . 1 1 70 70 ASP H H 70 8.300 8.300 8.163 0.137 18089
2549 1 6 . 1 1 71 71 PHE N N 71 119.360 119.360 120.219 -0.859 18089
2550 1 6 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.335 0.145 18089
2551 1 6 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.723 -0.223 18089
2552 1 6 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.687 0.913 18089
2553 1 6 . 1 1 71 71 PHE H H 71 9.520 9.520 8.934 0.586 18089
2554 1 6 . 1 1 72 72 GLN N N 72 116.880 116.880 119.325 -2.445 18089
2555 1 6 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.777 -0.357 18089
2556 1 6 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.138 1.642 18089
2557 1 6 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.453 0.527 18089
2558 1 6 . 1 1 72 72 GLN H H 72 8.180 8.180 8.222 -0.042 18089
2559 1 6 . 1 1 73 73 GLU N N 73 119.720 119.720 120.091 -0.371 18089
2560 1 6 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.028 -0.038 18089
2561 1 6 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.719 0.471 18089
2562 1 6 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.492 0.978 18089
2563 1 6 . 1 1 73 73 GLU H H 73 8.250 8.250 8.715 -0.465 18089
2564 1 6 . 1 1 74 74 TYR N N 74 122.440 122.440 120.281 2.159 18089
2565 1 6 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.187 0.153 18089
2566 1 6 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.019 -0.749 18089
2567 1 6 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.170 -1.350 18089
2568 1 6 . 1 1 74 74 TYR H H 74 8.250 8.250 8.407 -0.157 18089
2569 1 6 . 1 1 75 75 VAL N N 75 120.220 120.220 117.904 2.316 18089
2570 1 6 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.264 -0.604 18089
2571 1 6 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.762 1.218 18089
2572 1 6 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.499 -1.019 18089
2573 1 6 . 1 1 75 75 VAL H H 75 8.010 8.010 7.198 0.812 18089
2574 1 6 . 1 1 76 76 VAL N N 76 119.350 119.350 120.339 -0.989 18089
2575 1 6 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.598 -0.248 18089
2576 1 6 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.655 0.955 18089
2577 1 6 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.876 -0.166 18089
2578 1 6 . 1 1 76 76 VAL H H 76 7.540 7.540 7.728 -0.188 18089
2579 1 6 . 1 1 77 77 LEU N N 77 121.420 121.420 120.453 0.967 18089
2580 1 6 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.812 0.368 18089
2581 1 6 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.446 -0.186 18089
2582 1 6 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.605 0.345 18089
2583 1 6 . 1 1 77 77 LEU H H 77 7.760 7.760 8.296 -0.536 18089
2584 1 6 . 1 1 78 78 VAL N N 78 119.530 119.530 114.315 5.215 18089
2585 1 6 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.747 -0.307 18089
2586 1 6 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.612 1.618 18089
2587 1 6 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.473 -0.063 18089
2588 1 6 . 1 1 78 78 VAL H H 78 8.370 8.370 7.134 1.236 18089
2589 1 6 . 1 1 79 79 ALA N N 79 125.030 125.030 122.955 2.075 18089
2590 1 6 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.145 -0.115 18089
2591 1 6 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.184 1.886 18089
2592 1 6 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.629 -0.609 18089
2593 1 6 . 1 1 79 79 ALA H H 79 9.070 9.070 7.199 1.871 18089
2594 1 6 . 1 1 80 80 ALA N N 80 122.060 122.060 121.505 0.555 18089
2595 1 6 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.881 0.109 18089
2596 1 6 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.009 0.371 18089
2597 1 6 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.167 -0.607 18089
2598 1 6 . 1 1 80 80 ALA H H 80 8.350 8.350 8.558 -0.208 18089
2599 1 6 . 1 1 81 81 LEU N N 81 117.650 117.650 115.244 2.406 18089
2600 1 6 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.623 0.427 18089
2601 1 6 . 1 1 81 81 LEU CA C 81 57.690 57.690 56.658 1.032 18089
2602 1 6 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.346 1.484 18089
2603 1 6 . 1 1 81 81 LEU H H 81 8.060 8.060 7.181 0.879 18089
2604 1 6 . 1 1 82 82 THR N N 82 117.560 117.560 116.036 1.524 18089
2605 1 6 . 1 1 82 82 THR HA H 82 3.680 3.680 4.208 -0.528 18089
2606 1 6 . 1 1 82 82 THR CA C 82 68.820 68.820 67.175 1.645 18089
2607 1 6 . 1 1 82 82 THR CB C 82 67.570 67.570 68.898 -1.328 18089
2608 1 6 . 1 1 82 82 THR H H 82 8.320 8.320 7.117 1.203 18089
2609 1 6 . 1 1 83 83 VAL N N 83 121.390 121.390 118.602 2.788 18089
2610 1 6 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.956 -0.866 18089
2611 1 6 . 1 1 83 83 VAL CA C 83 65.120 65.120 64.873 0.247 18089
2612 1 6 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.294 0.586 18089
2613 1 6 . 1 1 83 83 VAL H H 83 8.000 8.000 7.919 0.081 18089
2614 1 6 . 1 1 84 84 ALA N N 84 116.970 116.970 119.735 -2.765 18089
2615 1 6 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.078 0.502 18089
2616 1 6 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.811 -1.171 18089
2617 1 6 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.080 2.740 18089
2618 1 6 . 1 1 84 84 ALA H H 84 7.100 7.100 7.279 -0.179 18089
2619 1 6 . 1 1 85 85 CYS N N 85 112.170 112.170 113.438 -1.268 18089
2620 1 6 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.618 -0.078 18089
2621 1 6 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.166 1.164 18089
2622 1 6 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.534 3.856 18089
2623 1 6 . 1 1 85 85 CYS H H 85 7.360 7.360 8.025 -0.665 18089
2624 1 6 . 1 1 86 86 ASN N N 86 118.980 118.980 121.009 -2.029 18089
2625 1 6 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.883 -0.403 18089
2626 1 6 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.426 -1.676 18089
2627 1 6 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.376 2.735 18089
2628 1 6 . 1 1 86 86 ASN H H 86 8.440 8.440 8.711 -0.271 18089
2629 1 6 . 1 1 87 87 ASN N N 87 124.820 124.820 119.189 5.631 18089
2630 1 6 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.249 0.101 18089
2631 1 6 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.367 1.123 18089
2632 1 6 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.200 1.130 18089
2633 1 6 . 1 1 87 87 ASN H H 87 9.210 9.210 7.531 1.679 18089
2634 1 6 . 1 1 88 88 PHE N N 88 120.560 120.560 120.939 -0.379 18089
2635 1 6 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.092 1.018 18089
2636 1 6 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.144 0.336 18089
2637 1 6 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.549 0.911 18089
2638 1 6 . 1 1 88 88 PHE H H 88 8.690 8.690 7.336 1.354 18089
2639 1 6 . 1 1 89 89 PHE N N 89 112.650 112.650 116.144 -3.494 18089
2640 1 6 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.353 -0.593 18089
2641 1 6 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.381 0.619 18089
2642 1 6 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.304 0.716 18089
2643 1 6 . 1 1 89 89 PHE H H 89 7.440 7.440 8.070 -0.630 18089
2644 1 6 . 1 1 90 90 TRP N N 90 118.650 118.650 118.333 0.317 18089
2645 1 6 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.580 0.010 18089
2646 1 6 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.815 1.485 18089
2647 1 6 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.524 4.926 18089
2648 1 6 . 1 1 90 90 TRP H H 90 7.360 7.360 7.548 -0.188 18089
2649 1 6 . 1 1 91 91 GLU N N 91 121.410 121.410 120.533 0.877 18089
2650 1 6 . 1 1 91 91 GLU HA H 91 4.350 4.350 3.994 0.356 18089
2651 1 6 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.991 -0.501 18089
2652 1 6 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.962 0.508 18089
2653 1 6 . 1 1 91 91 GLU H H 91 7.820 7.820 7.937 -0.117 18089
2654 1 6 . 1 1 92 92 ASN N N 92 120.680 120.680 121.232 -0.552 18089
2655 1 6 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.668 0.062 18089
2656 1 6 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.546 -0.726 18089
2657 1 6 . 1 1 92 92 ASN CB C 92 39.010 39.010 39.003 0.007 18089
2658 1 6 . 1 1 92 92 ASN H H 92 8.590 8.590 8.471 0.119 18089
2659 1 7 . 1 1 2 2 SER N N 2 118.700 118.700 116.631 2.069 18089
2660 1 7 . 1 1 2 2 SER HA H 2 4.680 4.680 4.712 -0.032 18089
2661 1 7 . 1 1 2 2 SER CA C 2 57.280 57.280 57.547 -0.267 18089
2662 1 7 . 1 1 2 2 SER CB C 2 65.190 65.190 65.771 -0.581 18089
2663 1 7 . 1 1 2 2 SER H H 2 9.250 9.250 8.129 1.121 18089
2664 1 7 . 1 1 3 3 GLU N N 3 122.910 122.910 123.143 -0.233 18089
2665 1 7 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.084 0.026 18089
2666 1 7 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.001 1.480 18089
2667 1 7 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.870 -0.860 18089
2668 1 7 . 1 1 3 3 GLU H H 3 9.250 9.250 8.844 0.406 18089
2669 1 7 . 1 1 4 4 LEU N N 4 121.150 121.150 116.747 4.403 18089
2670 1 7 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.054 -0.004 18089
2671 1 7 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.391 0.299 18089
2672 1 7 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.078 1.073 18089
2673 1 7 . 1 1 4 4 LEU H H 4 8.940 8.940 7.859 1.081 18089
2674 1 7 . 1 1 5 5 GLU N N 5 118.630 118.630 119.375 -0.745 18089
2675 1 7 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.004 -0.764 18089
2676 1 7 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.389 0.321 18089
2677 1 7 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.552 -0.582 18089
2678 1 7 . 1 1 5 5 GLU H H 5 7.840 7.840 8.189 -0.349 18089
2679 1 7 . 1 1 6 6 THR N N 6 116.040 116.040 115.104 0.936 18089
2680 1 7 . 1 1 6 6 THR HA H 6 4.000 4.000 4.054 -0.054 18089
2681 1 7 . 1 1 6 6 THR CA C 6 66.620 66.620 65.345 1.275 18089
2682 1 7 . 1 1 6 6 THR CB C 6 68.650 68.650 68.330 0.320 18089
2683 1 7 . 1 1 6 6 THR H H 6 8.430 8.430 7.813 0.617 18089
2684 1 7 . 1 1 7 7 ALA N N 7 125.730 125.730 124.737 0.993 18089
2685 1 7 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.062 0.208 18089
2686 1 7 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.010 0.580 18089
2687 1 7 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.479 -0.329 18089
2688 1 7 . 1 1 7 7 ALA H H 7 8.290 8.290 7.241 1.049 18089
2689 1 7 . 1 1 8 8 MET N N 8 115.120 115.120 116.018 -0.898 18089
2690 1 7 . 1 1 8 8 MET HA H 8 4.870 4.870 4.152 0.718 18089
2691 1 7 . 1 1 8 8 MET CA C 8 56.540 56.540 58.961 -2.421 18089
2692 1 7 . 1 1 8 8 MET CB C 8 28.950 28.950 31.816 -2.865 18089
2693 1 7 . 1 1 8 8 MET H H 8 8.100 8.100 7.571 0.529 18089
2694 1 7 . 1 1 9 9 GLU N N 9 120.560 120.560 118.191 2.369 18089
2695 1 7 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.075 0.035 18089
2696 1 7 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.342 1.139 18089
2697 1 7 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.946 -0.106 18089
2698 1 7 . 1 1 9 9 GLU H H 9 8.710 8.710 7.941 0.769 18089
2699 1 7 . 1 1 10 10 THR N N 10 118.800 118.800 113.692 5.108 18089
2700 1 7 . 1 1 10 10 THR HA H 10 4.120 4.120 4.186 -0.066 18089
2701 1 7 . 1 1 10 10 THR CA C 10 67.230 67.230 66.000 1.230 18089
2702 1 7 . 1 1 10 10 THR CB C 10 67.570 67.570 68.509 -0.939 18089
2703 1 7 . 1 1 10 10 THR H H 10 8.470 8.470 8.438 0.032 18089
2704 1 7 . 1 1 11 11 LEU N N 11 121.860 121.860 120.780 1.080 18089
2705 1 7 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.460 -0.350 18089
2706 1 7 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.627 2.853 18089
2707 1 7 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.836 1.104 18089
2708 1 7 . 1 1 11 11 LEU H H 11 8.340 8.340 7.630 0.710 18089
2709 1 7 . 1 1 12 12 ILE N N 12 121.270 121.270 119.276 1.994 18089
2710 1 7 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.106 -0.556 18089
2711 1 7 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.512 0.648 18089
2712 1 7 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.915 0.485 18089
2713 1 7 . 1 1 12 12 ILE H H 12 8.480 8.480 7.785 0.695 18089
2714 1 7 . 1 1 13 13 ASN N N 13 120.510 120.510 119.361 1.149 18089
2715 1 7 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.442 -0.092 18089
2716 1 7 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.362 0.128 18089
2717 1 7 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.927 0.013 18089
2718 1 7 . 1 1 13 13 ASN H H 13 8.690 8.690 7.872 0.818 18089
2719 1 7 . 1 1 14 14 VAL N N 14 121.990 121.990 118.368 3.622 18089
2720 1 7 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.955 -0.085 18089
2721 1 7 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.496 2.054 18089
2722 1 7 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.433 -0.723 18089
2723 1 7 . 1 1 14 14 VAL H H 14 8.880 8.880 7.400 1.480 18089
2724 1 7 . 1 1 15 15 PHE N N 15 120.470 120.470 120.155 0.315 18089
2725 1 7 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.742 -0.172 18089
2726 1 7 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.888 1.592 18089
2727 1 7 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.289 0.211 18089
2728 1 7 . 1 1 15 15 PHE H H 15 7.480 7.480 8.200 -0.720 18089
2729 1 7 . 1 1 16 16 HIS N N 16 118.280 118.280 116.298 1.982 18089
2730 1 7 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.398 0.852 18089
2731 1 7 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.050 -3.079 18089
2732 1 7 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.636 -0.506 18089
2733 1 7 . 1 1 16 16 HIS H H 16 9.270 9.270 8.463 0.807 18089
2734 1 7 . 1 1 17 17 ALA N N 17 121.080 121.080 123.527 -2.447 18089
2735 1 7 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.047 -0.207 18089
2736 1 7 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.531 -0.091 18089
2737 1 7 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.747 -1.147 18089
2738 1 7 . 1 1 17 17 ALA H H 17 8.160 8.160 7.444 0.716 18089
2739 1 7 . 1 1 18 18 HIS N N 18 112.570 112.570 114.182 -1.612 18089
2740 1 7 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.575 -0.225 18089
2741 1 7 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.687 1.803 18089
2742 1 7 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.528 1.462 18089
2743 1 7 . 1 1 18 18 HIS H H 18 7.410 7.410 7.615 -0.205 18089
2744 1 7 . 1 1 19 19 SER HA H 19 4.110 4.110 4.231 -0.121 18089
2745 1 7 . 1 1 19 19 SER CA C 19 60.480 60.480 58.489 1.991 18089
2746 1 7 . 1 1 19 19 SER CB C 19 61.800 61.800 62.651 -0.851 18089
2747 1 7 . 1 1 20 20 GLY N N 20 106.720 106.720 112.959 -6.239 18089
2748 1 7 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.178 0.062 18089
2749 1 7 . 1 1 20 20 GLY H H 20 8.260 8.260 8.151 0.109 18089
2750 1 7 . 1 1 21 21 LYS N N 21 120.240 120.240 121.193 -0.953 18089
2751 1 7 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.993 -0.003 18089
2752 1 7 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.468 -0.008 18089
2753 1 7 . 1 1 21 21 LYS CB C 21 32.500 32.500 31.959 0.541 18089
2754 1 7 . 1 1 21 21 LYS H H 21 7.640 7.640 7.886 -0.246 18089
2755 1 7 . 1 1 22 22 GLU N N 22 117.060 117.060 118.364 -1.304 18089
2756 1 7 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.109 0.321 18089
2757 1 7 . 1 1 22 22 GLU CA C 22 55.380 55.380 58.038 -2.659 18089
2758 1 7 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.739 1.301 18089
2759 1 7 . 1 1 22 22 GLU H H 22 7.840 7.840 8.397 -0.557 18089
2760 1 7 . 1 1 23 23 GLY N N 23 107.770 107.770 105.294 2.476 18089
2761 1 7 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.792 1.038 18089
2762 1 7 . 1 1 23 23 GLY H H 23 8.100 8.100 8.393 -0.293 18089
2763 1 7 . 1 1 24 24 ASP N N 24 122.990 122.990 120.774 2.216 18089
2764 1 7 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.952 -0.372 18089
2765 1 7 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.995 0.615 18089
2766 1 7 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.635 -0.275 18089
2767 1 7 . 1 1 24 24 ASP H H 24 8.190 8.190 8.077 0.113 18089
2768 1 7 . 1 1 25 25 LYS N N 25 124.920 124.920 120.028 4.892 18089
2769 1 7 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.161 -0.071 18089
2770 1 7 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.550 -0.180 18089
2771 1 7 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.873 -0.863 18089
2772 1 7 . 1 1 25 25 LYS H H 25 8.440 8.440 8.488 -0.048 18089
2773 1 7 . 1 1 26 26 TYR N N 26 117.220 117.220 116.630 0.590 18089
2774 1 7 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.689 0.431 18089
2775 1 7 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.604 -0.224 18089
2776 1 7 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.401 -0.702 18089
2777 1 7 . 1 1 26 26 TYR H H 26 8.490 8.490 8.038 0.452 18089
2778 1 7 . 1 1 27 27 LYS N N 27 118.300 118.300 117.856 0.444 18089
2779 1 7 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.377 0.113 18089
2780 1 7 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.246 -0.426 18089
2781 1 7 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.856 0.604 18089
2782 1 7 . 1 1 27 27 LYS H H 27 7.870 7.870 7.319 0.551 18089
2783 1 7 . 1 1 28 28 LEU N N 28 121.380 121.380 120.636 0.744 18089
2784 1 7 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.689 0.041 18089
2785 1 7 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.428 -1.608 18089
2786 1 7 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.806 0.564 18089
2787 1 7 . 1 1 28 28 LEU H H 28 8.830 8.830 8.851 -0.021 18089
2788 1 7 . 1 1 29 29 SER N N 29 120.620 120.620 115.465 5.155 18089
2789 1 7 . 1 1 29 29 SER HA H 29 5.030 5.030 5.075 -0.045 18089
2790 1 7 . 1 1 29 29 SER CA C 29 57.890 57.890 58.310 -0.420 18089
2791 1 7 . 1 1 29 29 SER CB C 29 64.270 64.270 64.424 -0.154 18089
2792 1 7 . 1 1 29 29 SER H H 29 8.940 8.940 8.703 0.237 18089
2793 1 7 . 1 1 30 30 LYS N N 30 124.430 124.430 123.358 1.072 18089
2794 1 7 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.109 -0.239 18089
2795 1 7 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.517 1.113 18089
2796 1 7 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.603 -0.893 18089
2797 1 7 . 1 1 30 30 LYS H H 30 8.820 8.820 8.521 0.299 18089
2798 1 7 . 1 1 31 31 LYS N N 31 120.230 120.230 119.427 0.803 18089
2799 1 7 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.888 0.282 18089
2800 1 7 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.649 -0.309 18089
2801 1 7 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.312 1.188 18089
2802 1 7 . 1 1 31 31 LYS H H 31 8.730 8.730 8.382 0.348 18089
2803 1 7 . 1 1 32 32 GLU N N 32 121.570 121.570 119.950 1.620 18089
2804 1 7 . 1 1 32 32 GLU HA H 32 4.100 4.100 3.985 0.115 18089
2805 1 7 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.243 -1.203 18089
2806 1 7 . 1 1 32 32 GLU CB C 32 28.670 28.670 28.862 -0.192 18089
2807 1 7 . 1 1 32 32 GLU H H 32 7.780 7.780 8.545 -0.765 18089
2808 1 7 . 1 1 33 33 LEU N N 33 121.620 121.620 119.518 2.102 18089
2809 1 7 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.917 0.083 18089
2810 1 7 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.457 -0.167 18089
2811 1 7 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.877 -1.377 18089
2812 1 7 . 1 1 33 33 LEU H H 33 8.910 8.910 7.708 1.202 18089
2813 1 7 . 1 1 34 34 LYS N N 34 120.460 120.460 119.582 0.878 18089
2814 1 7 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.947 -0.327 18089
2815 1 7 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.705 1.235 18089
2816 1 7 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.213 -0.803 18089
2817 1 7 . 1 1 34 34 LYS H H 34 8.440 8.440 8.478 -0.038 18089
2818 1 7 . 1 1 35 35 GLU N N 35 117.190 117.190 118.821 -1.631 18089
2819 1 7 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.426 -0.356 18089
2820 1 7 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.933 0.337 18089
2821 1 7 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.913 -0.883 18089
2822 1 7 . 1 1 35 35 GLU H H 35 7.200 7.200 8.204 -1.004 18089
2823 1 7 . 1 1 36 36 LEU N N 36 122.760 122.760 117.825 4.935 18089
2824 1 7 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.261 -0.501 18089
2825 1 7 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.598 1.402 18089
2826 1 7 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.572 0.708 18089
2827 1 7 . 1 1 36 36 LEU H H 36 8.310 8.310 7.492 0.818 18089
2828 1 7 . 1 1 37 37 LEU N N 37 120.220 120.220 118.790 1.430 18089
2829 1 7 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.309 -0.629 18089
2830 1 7 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.497 0.823 18089
2831 1 7 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.710 -1.190 18089
2832 1 7 . 1 1 37 37 LEU H H 37 8.820 8.820 8.704 0.116 18089
2833 1 7 . 1 1 38 38 GLN N N 38 113.470 113.470 117.153 -3.683 18089
2834 1 7 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.203 -0.443 18089
2835 1 7 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.084 0.916 18089
2836 1 7 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.586 0.274 18089
2837 1 7 . 1 1 38 38 GLN H H 38 8.110 8.110 7.944 0.166 18089
2838 1 7 . 1 1 39 39 THR N N 39 109.960 109.960 112.381 -2.421 18089
2839 1 7 . 1 1 39 39 THR HA H 39 4.290 4.290 4.412 -0.122 18089
2840 1 7 . 1 1 39 39 THR CA C 39 64.560 64.560 62.696 1.864 18089
2841 1 7 . 1 1 39 39 THR CB C 39 69.750 69.750 69.228 0.522 18089
2842 1 7 . 1 1 39 39 THR H H 39 7.720 7.720 7.680 0.040 18089
2843 1 7 . 1 1 40 40 GLU N N 40 118.420 118.420 119.978 -1.558 18089
2844 1 7 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.395 0.325 18089
2845 1 7 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.220 -0.430 18089
2846 1 7 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.780 -1.580 18089
2847 1 7 . 1 1 40 40 GLU H H 40 9.020 9.020 8.182 0.838 18089
2848 1 7 . 1 1 41 41 LEU N N 41 119.120 119.120 119.036 0.084 18089
2849 1 7 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.628 0.502 18089
2850 1 7 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.146 -1.986 18089
2851 1 7 . 1 1 41 41 LEU CB C 41 42.040 42.040 44.458 -2.418 18089
2852 1 7 . 1 1 41 41 LEU H H 41 7.760 7.760 7.547 0.213 18089
2853 1 7 . 1 1 42 42 SER N N 42 112.960 112.960 116.282 -3.322 18089
2854 1 7 . 1 1 42 42 SER HA H 42 3.870 3.870 4.104 -0.234 18089
2855 1 7 . 1 1 42 42 SER CA C 42 61.630 61.630 59.262 2.368 18089
2856 1 7 . 1 1 42 42 SER CB C 42 62.790 62.790 61.546 1.244 18089
2857 1 7 . 1 1 42 42 SER H H 42 6.940 6.940 8.135 -1.195 18089
2858 1 7 . 1 1 43 43 GLY N N 43 114.580 114.580 110.395 4.185 18089
2859 1 7 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.110 1.670 18089
2860 1 7 . 1 1 43 43 GLY H H 43 9.250 9.250 8.535 0.715 18089
2861 1 7 . 1 1 44 44 PHE N N 44 124.560 124.560 118.684 5.876 18089
2862 1 7 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.344 0.246 18089
2863 1 7 . 1 1 44 44 PHE CA C 44 57.480 57.480 58.960 -1.480 18089
2864 1 7 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.487 -2.537 18089
2865 1 7 . 1 1 44 44 PHE H H 44 8.320 8.320 7.201 1.119 18089
2866 1 7 . 1 1 45 45 LEU N N 45 116.140 116.140 119.998 -3.858 18089
2867 1 7 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.021 0.149 18089
2868 1 7 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.767 -0.397 18089
2869 1 7 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.999 0.251 18089
2870 1 7 . 1 1 45 45 LEU H H 45 8.650 8.650 7.771 0.879 18089
2871 1 7 . 1 1 46 46 ASP N N 46 119.960 119.960 117.448 2.512 18089
2872 1 7 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.560 0.150 18089
2873 1 7 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.410 0.230 18089
2874 1 7 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.102 0.418 18089
2875 1 7 . 1 1 46 46 ASP H H 46 7.730 7.730 8.000 -0.270 18089
2876 1 7 . 1 1 47 47 ALA N N 47 124.260 124.260 120.927 3.333 18089
2877 1 7 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.477 0.143 18089
2878 1 7 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.471 -1.961 18089
2879 1 7 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.703 -1.853 18089
2880 1 7 . 1 1 47 47 ALA H H 47 7.740 7.740 7.779 -0.039 18089
2881 1 7 . 1 1 48 48 GLN N N 48 117.380 117.380 117.994 -0.614 18089
2882 1 7 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.043 0.047 18089
2883 1 7 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.438 0.932 18089
2884 1 7 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.759 2.711 18089
2885 1 7 . 1 1 48 48 GLN H H 48 7.650 7.650 8.518 -0.868 18089
2886 1 7 . 1 1 49 49 LYS N N 49 121.400 121.400 120.449 0.951 18089
2887 1 7 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.272 -0.142 18089
2888 1 7 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.345 -0.105 18089
2889 1 7 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.780 -1.860 18089
2890 1 7 . 1 1 49 49 LYS H H 49 8.000 8.000 8.237 -0.237 18089
2891 1 7 . 1 1 50 50 ASP N N 50 119.180 119.180 122.795 -3.615 18089
2892 1 7 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.958 -0.298 18089
2893 1 7 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.683 -2.083 18089
2894 1 7 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.922 -0.062 18089
2895 1 7 . 1 1 50 50 ASP H H 50 7.500 7.500 7.809 -0.309 18089
2896 1 7 . 1 1 51 51 VAL N N 51 122.100 122.100 124.988 -2.888 18089
2897 1 7 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.653 0.207 18089
2898 1 7 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.787 -2.037 18089
2899 1 7 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.596 0.374 18089
2900 1 7 . 1 1 51 51 VAL H H 51 7.670 7.670 8.129 -0.459 18089
2901 1 7 . 1 1 52 52 ASP N N 52 119.490 119.490 119.718 -0.228 18089
2902 1 7 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.360 -0.010 18089
2903 1 7 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.659 -0.499 18089
2904 1 7 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.747 -0.147 18089
2905 1 7 . 1 1 52 52 ASP H H 52 8.130 8.130 8.515 -0.385 18089
2906 1 7 . 1 1 53 53 ALA N N 53 122.220 122.220 121.858 0.362 18089
2907 1 7 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.298 -0.278 18089
2908 1 7 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.882 -0.322 18089
2909 1 7 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.890 -0.150 18089
2910 1 7 . 1 1 53 53 ALA H H 53 7.540 7.540 7.678 -0.138 18089
2911 1 7 . 1 1 54 54 VAL N N 54 118.080 118.080 119.154 -1.074 18089
2912 1 7 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.622 -0.272 18089
2913 1 7 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.787 -0.207 18089
2914 1 7 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.896 0.824 18089
2915 1 7 . 1 1 54 54 VAL H H 54 7.310 7.310 8.397 -1.087 18089
2916 1 7 . 1 1 55 55 ASP N N 55 119.630 119.630 119.599 0.031 18089
2917 1 7 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.486 -0.206 18089
2918 1 7 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.241 0.139 18089
2919 1 7 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.799 0.111 18089
2920 1 7 . 1 1 55 55 ASP H H 55 8.530 8.530 8.851 -0.321 18089
2921 1 7 . 1 1 56 56 LYS N N 56 118.060 118.060 119.933 -1.873 18089
2922 1 7 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.131 -0.201 18089
2923 1 7 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.327 0.493 18089
2924 1 7 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.710 -0.210 18089
2925 1 7 . 1 1 56 56 LYS H H 56 7.950 7.950 7.472 0.478 18089
2926 1 7 . 1 1 57 57 VAL N N 57 119.310 119.310 121.253 -1.943 18089
2927 1 7 . 1 1 57 57 VAL HA H 57 3.720 3.720 4.002 -0.282 18089
2928 1 7 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.211 1.849 18089
2929 1 7 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.957 0.133 18089
2930 1 7 . 1 1 57 57 VAL H H 57 7.280 7.280 8.102 -0.822 18089
2931 1 7 . 1 1 58 58 MET N N 58 115.980 115.980 119.389 -3.409 18089
2932 1 7 . 1 1 58 58 MET HA H 58 4.090 4.090 4.039 0.051 18089
2933 1 7 . 1 1 58 58 MET CA C 58 57.370 57.370 59.222 -1.852 18089
2934 1 7 . 1 1 58 58 MET CB C 58 31.310 31.310 31.732 -0.422 18089
2935 1 7 . 1 1 58 58 MET H H 58 8.360 8.360 8.310 0.050 18089
2936 1 7 . 1 1 59 59 LYS N N 59 118.900 118.900 117.270 1.630 18089
2937 1 7 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.035 0.035 18089
2938 1 7 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.326 -0.056 18089
2939 1 7 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.779 0.731 18089
2940 1 7 . 1 1 59 59 LYS H H 59 8.620 8.620 7.764 0.856 18089
2941 1 7 . 1 1 60 60 GLU N N 60 119.830 119.830 120.961 -1.131 18089
2942 1 7 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.344 -0.274 18089
2943 1 7 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.586 0.684 18089
2944 1 7 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.141 -1.481 18089
2945 1 7 . 1 1 60 60 GLU H H 60 7.430 7.430 7.514 -0.084 18089
2946 1 7 . 1 1 61 61 LEU N N 61 116.920 116.920 120.763 -3.843 18089
2947 1 7 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.174 -0.224 18089
2948 1 7 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.394 -0.124 18089
2949 1 7 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.713 -1.163 18089
2950 1 7 . 1 1 61 61 LEU H H 61 7.580 7.580 8.545 -0.965 18089
2951 1 7 . 1 1 62 62 ASP N N 62 116.060 116.060 117.887 -1.827 18089
2952 1 7 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.389 0.071 18089
2953 1 7 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.915 -0.755 18089
2954 1 7 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.270 0.370 18089
2955 1 7 . 1 1 62 62 ASP H H 62 7.610 7.610 8.438 -0.828 18089
2956 1 7 . 1 1 63 63 GLU N N 63 118.870 118.870 114.691 4.179 18089
2957 1 7 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.338 -0.238 18089
2958 1 7 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.558 0.482 18089
2959 1 7 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.169 -0.119 18089
2960 1 7 . 1 1 63 63 GLU H H 63 8.120 8.120 7.692 0.428 18089
2961 1 7 . 1 1 64 64 ASN N N 64 117.720 117.720 118.573 -0.853 18089
2962 1 7 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.892 0.268 18089
2963 1 7 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.384 -1.454 18089
2964 1 7 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.032 -0.383 18089
2965 1 7 . 1 1 64 64 ASN H H 64 7.720 7.720 7.856 -0.136 18089
2966 1 7 . 1 1 65 65 GLY N N 65 107.110 107.110 109.474 -2.364 18089
2967 1 7 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.592 1.319 18089
2968 1 7 . 1 1 65 65 GLY H H 65 7.750 7.750 7.937 -0.187 18089
2969 1 7 . 1 1 66 66 ASP N N 66 115.600 115.600 119.878 -4.278 18089
2970 1 7 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.743 0.097 18089
2971 1 7 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.336 -0.286 18089
2972 1 7 . 1 1 66 66 ASP CB C 66 40.600 40.600 41.022 -0.422 18089
2973 1 7 . 1 1 66 66 ASP H H 66 8.320 8.320 7.769 0.551 18089
2974 1 7 . 1 1 67 67 GLY N N 67 109.220 109.220 108.900 0.320 18089
2975 1 7 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.532 0.278 18089
2976 1 7 . 1 1 67 67 GLY H H 67 8.260 8.260 8.005 0.255 18089
2977 1 7 . 1 1 68 68 GLU N N 68 117.450 117.450 119.148 -1.698 18089
2978 1 7 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.970 0.280 18089
2979 1 7 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.313 -0.343 18089
2980 1 7 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.627 1.293 18089
2981 1 7 . 1 1 68 68 GLU H H 68 8.500 8.500 8.419 0.081 18089
2982 1 7 . 1 1 69 69 VAL N N 69 115.390 115.390 115.120 0.270 18089
2983 1 7 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.635 0.335 18089
2984 1 7 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.891 -0.761 18089
2985 1 7 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.010 0.080 18089
2986 1 7 . 1 1 69 69 VAL H H 69 9.190 9.190 9.195 -0.005 18089
2987 1 7 . 1 1 70 70 ASP N N 70 120.970 120.970 117.540 3.430 18089
2988 1 7 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.184 0.386 18089
2989 1 7 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.642 -1.602 18089
2990 1 7 . 1 1 70 70 ASP CB C 70 42.740 42.740 42.977 -0.237 18089
2991 1 7 . 1 1 70 70 ASP H H 70 8.300 8.300 8.237 0.063 18089
2992 1 7 . 1 1 71 71 PHE N N 71 119.360 119.360 120.071 -0.711 18089
2993 1 7 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.268 0.212 18089
2994 1 7 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.408 0.092 18089
2995 1 7 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.710 0.890 18089
2996 1 7 . 1 1 71 71 PHE H H 71 9.520 9.520 8.995 0.525 18089
2997 1 7 . 1 1 72 72 GLN N N 72 116.880 116.880 119.235 -2.355 18089
2998 1 7 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.919 -0.499 18089
2999 1 7 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.121 1.659 18089
3000 1 7 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.504 0.476 18089
3001 1 7 . 1 1 72 72 GLN H H 72 8.180 8.180 8.259 -0.079 18089
3002 1 7 . 1 1 73 73 GLU N N 73 119.720 119.720 120.284 -0.564 18089
3003 1 7 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.045 -0.055 18089
3004 1 7 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.821 0.369 18089
3005 1 7 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.500 0.970 18089
3006 1 7 . 1 1 73 73 GLU H H 73 8.250 8.250 8.595 -0.345 18089
3007 1 7 . 1 1 74 74 TYR N N 74 122.440 122.440 120.315 2.125 18089
3008 1 7 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.196 0.144 18089
3009 1 7 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.882 -0.612 18089
3010 1 7 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.226 -1.406 18089
3011 1 7 . 1 1 74 74 TYR H H 74 8.250 8.250 8.104 0.146 18089
3012 1 7 . 1 1 75 75 VAL N N 75 120.220 120.220 117.453 2.767 18089
3013 1 7 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.356 -0.696 18089
3014 1 7 . 1 1 75 75 VAL CA C 75 66.980 66.980 66.262 0.718 18089
3015 1 7 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.238 -0.758 18089
3016 1 7 . 1 1 75 75 VAL H H 75 8.010 8.010 7.220 0.790 18089
3017 1 7 . 1 1 76 76 VAL N N 76 119.350 119.350 120.618 -1.268 18089
3018 1 7 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.747 -0.397 18089
3019 1 7 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.365 1.245 18089
3020 1 7 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.933 -0.223 18089
3021 1 7 . 1 1 76 76 VAL H H 76 7.540 7.540 7.861 -0.321 18089
3022 1 7 . 1 1 77 77 LEU N N 77 121.420 121.420 120.780 0.640 18089
3023 1 7 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.918 0.262 18089
3024 1 7 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.231 0.029 18089
3025 1 7 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.552 0.398 18089
3026 1 7 . 1 1 77 77 LEU H H 77 7.760 7.760 8.113 -0.353 18089
3027 1 7 . 1 1 78 78 VAL N N 78 119.530 119.530 116.129 3.401 18089
3028 1 7 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.776 -0.336 18089
3029 1 7 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.318 1.912 18089
3030 1 7 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.509 0.901 18089
3031 1 7 . 1 1 78 78 VAL H H 78 8.370 8.370 7.205 1.165 18089
3032 1 7 . 1 1 79 79 ALA N N 79 125.030 125.030 123.563 1.467 18089
3033 1 7 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.099 -0.069 18089
3034 1 7 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.275 1.795 18089
3035 1 7 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.377 -0.357 18089
3036 1 7 . 1 1 79 79 ALA H H 79 9.070 9.070 7.206 1.864 18089
3037 1 7 . 1 1 80 80 ALA N N 80 122.060 122.060 121.592 0.468 18089
3038 1 7 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.890 0.100 18089
3039 1 7 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.998 0.382 18089
3040 1 7 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.169 -0.609 18089
3041 1 7 . 1 1 80 80 ALA H H 80 8.350 8.350 8.499 -0.149 18089
3042 1 7 . 1 1 81 81 LEU N N 81 117.650 117.650 115.784 1.866 18089
3043 1 7 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.888 0.162 18089
3044 1 7 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.315 0.375 18089
3045 1 7 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.487 0.343 18089
3046 1 7 . 1 1 81 81 LEU H H 81 8.060 8.060 7.490 0.570 18089
3047 1 7 . 1 1 82 82 THR N N 82 117.560 117.560 115.482 2.078 18089
3048 1 7 . 1 1 82 82 THR HA H 82 3.680 3.680 1.988 1.692 18089
3049 1 7 . 1 1 82 82 THR CA C 82 68.820 68.820 65.762 3.058 18089
3050 1 7 . 1 1 82 82 THR CB C 82 67.570 67.570 67.776 -0.206 18089
3051 1 7 . 1 1 82 82 THR H H 82 8.320 8.320 7.045 1.275 18089
3052 1 7 . 1 1 83 83 VAL N N 83 121.390 121.390 118.957 2.433 18089
3053 1 7 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.499 -0.409 18089
3054 1 7 . 1 1 83 83 VAL CA C 83 65.120 65.120 66.041 -0.921 18089
3055 1 7 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.481 0.399 18089
3056 1 7 . 1 1 83 83 VAL H H 83 8.000 8.000 7.677 0.323 18089
3057 1 7 . 1 1 84 84 ALA N N 84 116.970 116.970 121.195 -4.225 18089
3058 1 7 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.923 0.657 18089
3059 1 7 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.957 -1.317 18089
3060 1 7 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.107 2.713 18089
3061 1 7 . 1 1 84 84 ALA H H 84 7.100 7.100 7.336 -0.236 18089
3062 1 7 . 1 1 85 85 CYS N N 85 112.170 112.170 115.163 -2.993 18089
3063 1 7 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.357 0.183 18089
3064 1 7 . 1 1 85 85 CYS CA C 85 60.330 60.330 61.403 -1.073 18089
3065 1 7 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.844 3.546 18089
3066 1 7 . 1 1 85 85 CYS H H 85 7.360 7.360 7.622 -0.262 18089
3067 1 7 . 1 1 86 86 ASN N N 86 118.980 118.980 118.991 -0.011 18089
3068 1 7 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.523 -0.043 18089
3069 1 7 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.486 -1.736 18089
3070 1 7 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.542 3.568 18089
3071 1 7 . 1 1 86 86 ASN H H 86 8.440 8.440 8.428 0.012 18089
3072 1 7 . 1 1 87 87 ASN N N 87 124.820 124.820 119.031 5.789 18089
3073 1 7 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.268 0.082 18089
3074 1 7 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.361 1.129 18089
3075 1 7 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.552 0.778 18089
3076 1 7 . 1 1 87 87 ASN H H 87 9.210 9.210 7.335 1.875 18089
3077 1 7 . 1 1 88 88 PHE N N 88 120.560 120.560 119.673 0.887 18089
3078 1 7 . 1 1 88 88 PHE HA H 88 4.110 4.110 2.975 1.135 18089
3079 1 7 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.092 0.388 18089
3080 1 7 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.404 1.056 18089
3081 1 7 . 1 1 88 88 PHE H H 88 8.690 8.690 7.271 1.419 18089
3082 1 7 . 1 1 89 89 PHE N N 89 112.650 112.650 117.360 -4.710 18089
3083 1 7 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.312 -0.552 18089
3084 1 7 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.808 0.192 18089
3085 1 7 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.078 0.942 18089
3086 1 7 . 1 1 89 89 PHE H H 89 7.440 7.440 8.110 -0.670 18089
3087 1 7 . 1 1 90 90 TRP N N 90 118.650 118.650 117.714 0.936 18089
3088 1 7 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.451 0.139 18089
3089 1 7 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.153 1.147 18089
3090 1 7 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.332 4.118 18089
3091 1 7 . 1 1 90 90 TRP H H 90 7.360 7.360 7.255 0.105 18089
3092 1 7 . 1 1 91 91 GLU N N 91 121.410 121.410 120.157 1.253 18089
3093 1 7 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.189 0.161 18089
3094 1 7 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.786 -0.296 18089
3095 1 7 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.922 0.548 18089
3096 1 7 . 1 1 91 91 GLU H H 91 7.820 7.820 8.061 -0.241 18089
3097 1 7 . 1 1 92 92 ASN N N 92 120.680 120.680 120.477 0.203 18089
3098 1 7 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.714 0.016 18089
3099 1 7 . 1 1 92 92 ASN CA C 92 52.820 52.820 52.974 -0.154 18089
3100 1 7 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.956 0.054 18089
3101 1 7 . 1 1 92 92 ASN H H 92 8.590 8.590 8.435 0.154 18089
3102 1 8 . 1 1 2 2 SER N N 2 118.700 118.700 115.855 2.845 18089
3103 1 8 . 1 1 2 2 SER HA H 2 4.680 4.680 4.568 0.112 18089
3104 1 8 . 1 1 2 2 SER CA C 2 57.280 57.280 57.546 -0.266 18089
3105 1 8 . 1 1 2 2 SER CB C 2 65.190 65.190 65.394 -0.204 18089
3106 1 8 . 1 1 2 2 SER H H 2 9.250 9.250 7.969 1.281 18089
3107 1 8 . 1 1 3 3 GLU N N 3 122.910 122.910 121.897 1.013 18089
3108 1 8 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.173 -0.063 18089
3109 1 8 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.980 1.500 18089
3110 1 8 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.766 -0.756 18089
3111 1 8 . 1 1 3 3 GLU H H 3 9.250 9.250 8.815 0.435 18089
3112 1 8 . 1 1 4 4 LEU N N 4 121.150 121.150 117.803 3.347 18089
3113 1 8 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.048 0.002 18089
3114 1 8 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.651 0.039 18089
3115 1 8 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.231 0.919 18089
3116 1 8 . 1 1 4 4 LEU H H 4 8.940 8.940 8.197 0.743 18089
3117 1 8 . 1 1 5 5 GLU N N 5 118.630 118.630 119.557 -0.927 18089
3118 1 8 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.005 -0.765 18089
3119 1 8 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.616 0.094 18089
3120 1 8 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.275 -0.305 18089
3121 1 8 . 1 1 5 5 GLU H H 5 7.840 7.840 8.649 -0.809 18089
3122 1 8 . 1 1 6 6 THR N N 6 116.040 116.040 115.682 0.358 18089
3123 1 8 . 1 1 6 6 THR HA H 6 4.000 4.000 4.022 -0.022 18089
3124 1 8 . 1 1 6 6 THR CA C 6 66.620 66.620 65.737 0.882 18089
3125 1 8 . 1 1 6 6 THR CB C 6 68.650 68.650 68.276 0.374 18089
3126 1 8 . 1 1 6 6 THR H H 6 8.430 8.430 7.756 0.674 18089
3127 1 8 . 1 1 7 7 ALA N N 7 125.730 125.730 125.226 0.504 18089
3128 1 8 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.110 0.160 18089
3129 1 8 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.872 0.718 18089
3130 1 8 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.468 -0.319 18089
3131 1 8 . 1 1 7 7 ALA H H 7 8.290 8.290 7.657 0.633 18089
3132 1 8 . 1 1 8 8 MET N N 8 115.120 115.120 116.213 -1.093 18089
3133 1 8 . 1 1 8 8 MET HA H 8 4.870 4.870 4.155 0.715 18089
3134 1 8 . 1 1 8 8 MET CA C 8 56.540 56.540 58.806 -2.266 18089
3135 1 8 . 1 1 8 8 MET CB C 8 28.950 28.950 31.985 -3.035 18089
3136 1 8 . 1 1 8 8 MET H H 8 8.100 8.100 7.644 0.456 18089
3137 1 8 . 1 1 9 9 GLU N N 9 120.560 120.560 118.900 1.660 18089
3138 1 8 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.047 0.063 18089
3139 1 8 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.484 0.996 18089
3140 1 8 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.961 -0.121 18089
3141 1 8 . 1 1 9 9 GLU H H 9 8.710 8.710 7.975 0.735 18089
3142 1 8 . 1 1 10 10 THR N N 10 118.800 118.800 113.969 4.831 18089
3143 1 8 . 1 1 10 10 THR HA H 10 4.120 4.120 4.154 -0.034 18089
3144 1 8 . 1 1 10 10 THR CA C 10 67.230 67.230 65.486 1.744 18089
3145 1 8 . 1 1 10 10 THR CB C 10 67.570 67.570 68.490 -0.920 18089
3146 1 8 . 1 1 10 10 THR H H 10 8.470 8.470 7.916 0.554 18089
3147 1 8 . 1 1 11 11 LEU N N 11 121.860 121.860 120.041 1.819 18089
3148 1 8 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.232 -0.122 18089
3149 1 8 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.783 2.697 18089
3150 1 8 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.876 1.064 18089
3151 1 8 . 1 1 11 11 LEU H H 11 8.340 8.340 7.638 0.702 18089
3152 1 8 . 1 1 12 12 ILE N N 12 121.270 121.270 117.549 3.721 18089
3153 1 8 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.168 -0.618 18089
3154 1 8 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.024 1.136 18089
3155 1 8 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.997 0.403 18089
3156 1 8 . 1 1 12 12 ILE H H 12 8.480 8.480 7.943 0.537 18089
3157 1 8 . 1 1 13 13 ASN N N 13 120.510 120.510 120.315 0.195 18089
3158 1 8 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.507 -0.157 18089
3159 1 8 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.343 0.147 18089
3160 1 8 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.718 0.222 18089
3161 1 8 . 1 1 13 13 ASN H H 13 8.690 8.690 8.423 0.267 18089
3162 1 8 . 1 1 14 14 VAL N N 14 121.990 121.990 118.651 3.339 18089
3163 1 8 . 1 1 14 14 VAL HA H 14 3.870 3.870 4.035 -0.165 18089
3164 1 8 . 1 1 14 14 VAL CA C 14 66.550 66.550 63.425 3.125 18089
3165 1 8 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.013 -0.303 18089
3166 1 8 . 1 1 14 14 VAL H H 14 8.880 8.880 7.529 1.351 18089
3167 1 8 . 1 1 15 15 PHE N N 15 120.470 120.470 122.638 -2.168 18089
3168 1 8 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.740 -0.170 18089
3169 1 8 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.435 1.045 18089
3170 1 8 . 1 1 15 15 PHE CB C 15 39.500 39.500 38.986 0.513 18089
3171 1 8 . 1 1 15 15 PHE H H 15 7.480 7.480 7.983 -0.503 18089
3172 1 8 . 1 1 16 16 HIS N N 16 118.280 118.280 118.708 -0.428 18089
3173 1 8 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.337 0.913 18089
3174 1 8 . 1 1 16 16 HIS CA C 16 54.970 54.970 56.641 -1.671 18089
3175 1 8 . 1 1 16 16 HIS CB C 16 30.130 30.130 29.711 0.419 18089
3176 1 8 . 1 1 16 16 HIS H H 16 9.270 9.270 8.616 0.654 18089
3177 1 8 . 1 1 17 17 ALA N N 17 121.080 121.080 122.103 -1.023 18089
3178 1 8 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.036 -0.196 18089
3179 1 8 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.001 0.439 18089
3180 1 8 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.783 -1.183 18089
3181 1 8 . 1 1 17 17 ALA H H 17 8.160 8.160 7.771 0.389 18089
3182 1 8 . 1 1 18 18 HIS N N 18 112.570 112.570 113.257 -0.687 18089
3183 1 8 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.720 -0.370 18089
3184 1 8 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.065 1.425 18089
3185 1 8 . 1 1 18 18 HIS CB C 18 30.990 30.990 31.295 -0.305 18089
3186 1 8 . 1 1 18 18 HIS H H 18 7.410 7.410 7.597 -0.187 18089
3187 1 8 . 1 1 19 19 SER HA H 19 4.110 4.110 4.277 -0.167 18089
3188 1 8 . 1 1 19 19 SER CA C 19 60.480 60.480 58.619 1.861 18089
3189 1 8 . 1 1 19 19 SER CB C 19 61.800 61.800 64.451 -2.651 18089
3190 1 8 . 1 1 20 20 GLY N N 20 106.720 106.720 112.825 -6.105 18089
3191 1 8 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.351 -0.111 18089
3192 1 8 . 1 1 20 20 GLY H H 20 8.260 8.260 8.635 -0.375 18089
3193 1 8 . 1 1 21 21 LYS N N 21 120.240 120.240 121.390 -1.150 18089
3194 1 8 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.016 -0.026 18089
3195 1 8 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.319 0.141 18089
3196 1 8 . 1 1 21 21 LYS CB C 21 32.500 32.500 31.883 0.617 18089
3197 1 8 . 1 1 21 21 LYS H H 21 7.640 7.640 8.333 -0.693 18089
3198 1 8 . 1 1 22 22 GLU N N 22 117.060 117.060 118.858 -1.798 18089
3199 1 8 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.148 0.282 18089
3200 1 8 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.696 -2.316 18089
3201 1 8 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.958 1.082 18089
3202 1 8 . 1 1 22 22 GLU H H 22 7.840 7.840 8.409 -0.569 18089
3203 1 8 . 1 1 23 23 GLY N N 23 107.770 107.770 104.054 3.716 18089
3204 1 8 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.806 1.024 18089
3205 1 8 . 1 1 23 23 GLY H H 23 8.100 8.100 8.332 -0.232 18089
3206 1 8 . 1 1 24 24 ASP N N 24 122.990 122.990 119.412 3.578 18089
3207 1 8 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.860 -0.280 18089
3208 1 8 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.841 0.769 18089
3209 1 8 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.309 -0.948 18089
3210 1 8 . 1 1 24 24 ASP H H 24 8.190 8.190 7.866 0.324 18089
3211 1 8 . 1 1 25 25 LYS N N 25 124.920 124.920 119.211 5.709 18089
3212 1 8 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.191 -0.101 18089
3213 1 8 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.260 0.110 18089
3214 1 8 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.777 -0.767 18089
3215 1 8 . 1 1 25 25 LYS H H 25 8.440 8.440 8.505 -0.065 18089
3216 1 8 . 1 1 26 26 TYR N N 26 117.220 117.220 116.308 0.912 18089
3217 1 8 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.757 0.363 18089
3218 1 8 . 1 1 26 26 TYR CA C 26 57.380 57.380 56.845 0.535 18089
3219 1 8 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.717 -0.017 18089
3220 1 8 . 1 1 26 26 TYR H H 26 8.490 8.490 7.968 0.522 18089
3221 1 8 . 1 1 27 27 LYS N N 27 118.300 118.300 118.864 -0.564 18089
3222 1 8 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.562 -0.072 18089
3223 1 8 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.662 -0.842 18089
3224 1 8 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.895 0.565 18089
3225 1 8 . 1 1 27 27 LYS H H 27 7.870 7.870 7.353 0.517 18089
3226 1 8 . 1 1 28 28 LEU N N 28 121.380 121.380 121.676 -0.296 18089
3227 1 8 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.627 0.103 18089
3228 1 8 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.217 -1.397 18089
3229 1 8 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.820 0.550 18089
3230 1 8 . 1 1 28 28 LEU H H 28 8.830 8.830 8.972 -0.142 18089
3231 1 8 . 1 1 29 29 SER N N 29 120.620 120.620 116.483 4.137 18089
3232 1 8 . 1 1 29 29 SER HA H 29 5.030 5.030 4.930 0.100 18089
3233 1 8 . 1 1 29 29 SER CA C 29 57.890 57.890 58.385 -0.495 18089
3234 1 8 . 1 1 29 29 SER CB C 29 64.270 64.270 64.659 -0.389 18089
3235 1 8 . 1 1 29 29 SER H H 29 8.940 8.940 8.602 0.338 18089
3236 1 8 . 1 1 30 30 LYS N N 30 124.430 124.430 123.244 1.186 18089
3237 1 8 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.118 -0.248 18089
3238 1 8 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.201 1.429 18089
3239 1 8 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.772 -1.062 18089
3240 1 8 . 1 1 30 30 LYS H H 30 8.820 8.820 8.534 0.286 18089
3241 1 8 . 1 1 31 31 LYS N N 31 120.230 120.230 118.061 2.169 18089
3242 1 8 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.944 0.226 18089
3243 1 8 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.275 0.065 18089
3244 1 8 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.602 0.898 18089
3245 1 8 . 1 1 31 31 LYS H H 31 8.730 8.730 7.992 0.738 18089
3246 1 8 . 1 1 32 32 GLU N N 32 121.570 121.570 120.167 1.403 18089
3247 1 8 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.095 0.005 18089
3248 1 8 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.007 -0.967 18089
3249 1 8 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.153 -0.483 18089
3250 1 8 . 1 1 32 32 GLU H H 32 7.780 7.780 7.796 -0.016 18089
3251 1 8 . 1 1 33 33 LEU N N 33 121.620 121.620 119.672 1.948 18089
3252 1 8 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.846 0.154 18089
3253 1 8 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.838 -0.548 18089
3254 1 8 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.629 -1.129 18089
3255 1 8 . 1 1 33 33 LEU H H 33 8.910 8.910 7.586 1.324 18089
3256 1 8 . 1 1 34 34 LYS N N 34 120.460 120.460 118.525 1.935 18089
3257 1 8 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.995 -0.375 18089
3258 1 8 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.598 1.342 18089
3259 1 8 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.254 -0.844 18089
3260 1 8 . 1 1 34 34 LYS H H 34 8.440 8.440 8.163 0.277 18089
3261 1 8 . 1 1 35 35 GLU N N 35 117.190 117.190 118.583 -1.393 18089
3262 1 8 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.458 -0.388 18089
3263 1 8 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.570 0.700 18089
3264 1 8 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.909 -0.879 18089
3265 1 8 . 1 1 35 35 GLU H H 35 7.200 7.200 7.815 -0.615 18089
3266 1 8 . 1 1 36 36 LEU N N 36 122.760 122.760 118.689 4.071 18089
3267 1 8 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.250 -0.490 18089
3268 1 8 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.651 1.349 18089
3269 1 8 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.284 0.996 18089
3270 1 8 . 1 1 36 36 LEU H H 36 8.310 8.310 7.644 0.666 18089
3271 1 8 . 1 1 37 37 LEU N N 37 120.220 120.220 118.948 1.272 18089
3272 1 8 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.308 -0.628 18089
3273 1 8 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.468 0.852 18089
3274 1 8 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.572 -1.052 18089
3275 1 8 . 1 1 37 37 LEU H H 37 8.820 8.820 8.492 0.328 18089
3276 1 8 . 1 1 38 38 GLN N N 38 113.470 113.470 117.027 -3.557 18089
3277 1 8 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.187 -0.427 18089
3278 1 8 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.071 0.929 18089
3279 1 8 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.393 0.467 18089
3280 1 8 . 1 1 38 38 GLN H H 38 8.110 8.110 7.952 0.158 18089
3281 1 8 . 1 1 39 39 THR N N 39 109.960 109.960 112.647 -2.687 18089
3282 1 8 . 1 1 39 39 THR HA H 39 4.290 4.290 4.345 -0.055 18089
3283 1 8 . 1 1 39 39 THR CA C 39 64.560 64.560 63.673 0.887 18089
3284 1 8 . 1 1 39 39 THR CB C 39 69.750 69.750 69.236 0.514 18089
3285 1 8 . 1 1 39 39 THR H H 39 7.720 7.720 7.625 0.095 18089
3286 1 8 . 1 1 40 40 GLU N N 40 118.420 118.420 119.443 -1.023 18089
3287 1 8 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.395 0.325 18089
3288 1 8 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.814 -0.024 18089
3289 1 8 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.089 -1.889 18089
3290 1 8 . 1 1 40 40 GLU H H 40 9.020 9.020 7.938 1.082 18089
3291 1 8 . 1 1 41 41 LEU N N 41 119.120 119.120 120.708 -1.588 18089
3292 1 8 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.590 0.540 18089
3293 1 8 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.579 -0.419 18089
3294 1 8 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.715 -0.675 18089
3295 1 8 . 1 1 41 41 LEU H H 41 7.760 7.760 7.717 0.043 18089
3296 1 8 . 1 1 42 42 SER N N 42 112.960 112.960 116.210 -3.250 18089
3297 1 8 . 1 1 42 42 SER HA H 42 3.870 3.870 4.415 -0.545 18089
3298 1 8 . 1 1 42 42 SER CA C 42 61.630 61.630 58.031 3.599 18089
3299 1 8 . 1 1 42 42 SER CB C 42 62.790 62.790 61.904 0.886 18089
3300 1 8 . 1 1 42 42 SER H H 42 6.940 6.940 8.217 -1.277 18089
3301 1 8 . 1 1 43 43 GLY N N 43 114.580 114.580 112.403 2.177 18089
3302 1 8 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.951 0.829 18089
3303 1 8 . 1 1 43 43 GLY H H 43 9.250 9.250 8.827 0.423 18089
3304 1 8 . 1 1 44 44 PHE N N 44 124.560 124.560 119.799 4.761 18089
3305 1 8 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.380 0.210 18089
3306 1 8 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.972 -2.492 18089
3307 1 8 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.280 -2.330 18089
3308 1 8 . 1 1 44 44 PHE H H 44 8.320 8.320 7.379 0.941 18089
3309 1 8 . 1 1 45 45 LEU N N 45 116.140 116.140 119.637 -3.497 18089
3310 1 8 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.045 0.125 18089
3311 1 8 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.718 -0.348 18089
3312 1 8 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.731 0.519 18089
3313 1 8 . 1 1 45 45 LEU H H 45 8.650 8.650 8.170 0.480 18089
3314 1 8 . 1 1 46 46 ASP N N 46 119.960 119.960 116.284 3.676 18089
3315 1 8 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.537 0.173 18089
3316 1 8 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.193 0.447 18089
3317 1 8 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.017 0.503 18089
3318 1 8 . 1 1 46 46 ASP H H 46 7.730 7.730 7.655 0.075 18089
3319 1 8 . 1 1 47 47 ALA N N 47 124.260 124.260 121.824 2.436 18089
3320 1 8 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.606 0.014 18089
3321 1 8 . 1 1 47 47 ALA CA C 47 50.510 50.510 51.723 -1.213 18089
3322 1 8 . 1 1 47 47 ALA CB C 47 18.850 18.850 19.767 -0.917 18089
3323 1 8 . 1 1 47 47 ALA H H 47 7.740 7.740 7.450 0.290 18089
3324 1 8 . 1 1 48 48 GLN N N 48 117.380 117.380 122.745 -5.365 18089
3325 1 8 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.330 -0.240 18089
3326 1 8 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.691 1.679 18089
3327 1 8 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.265 1.206 18089
3328 1 8 . 1 1 48 48 GLN H H 48 7.650 7.650 8.322 -0.672 18089
3329 1 8 . 1 1 49 49 LYS N N 49 121.400 121.400 123.232 -1.832 18089
3330 1 8 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.305 -0.175 18089
3331 1 8 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.447 -0.207 18089
3332 1 8 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.005 -2.085 18089
3333 1 8 . 1 1 49 49 LYS H H 49 8.000 8.000 8.543 -0.543 18089
3334 1 8 . 1 1 50 50 ASP N N 50 119.180 119.180 122.889 -3.709 18089
3335 1 8 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.849 -0.189 18089
3336 1 8 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.757 -2.157 18089
3337 1 8 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.627 0.233 18089
3338 1 8 . 1 1 50 50 ASP H H 50 7.500 7.500 7.771 -0.271 18089
3339 1 8 . 1 1 51 51 VAL N N 51 122.100 122.100 124.853 -2.753 18089
3340 1 8 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.661 0.199 18089
3341 1 8 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.223 -1.473 18089
3342 1 8 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.728 0.242 18089
3343 1 8 . 1 1 51 51 VAL H H 51 7.670 7.670 8.282 -0.612 18089
3344 1 8 . 1 1 52 52 ASP N N 52 119.490 119.490 119.590 -0.100 18089
3345 1 8 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.322 0.028 18089
3346 1 8 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.330 -0.170 18089
3347 1 8 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.430 0.170 18089
3348 1 8 . 1 1 52 52 ASP H H 52 8.130 8.130 8.285 -0.155 18089
3349 1 8 . 1 1 53 53 ALA N N 53 122.220 122.220 122.085 0.135 18089
3350 1 8 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.232 -0.212 18089
3351 1 8 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.920 -0.360 18089
3352 1 8 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.794 -0.054 18089
3353 1 8 . 1 1 53 53 ALA H H 53 7.540 7.540 7.564 -0.024 18089
3354 1 8 . 1 1 54 54 VAL N N 54 118.080 118.080 119.147 -1.067 18089
3355 1 8 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.507 -0.157 18089
3356 1 8 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.929 -0.349 18089
3357 1 8 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.587 0.133 18089
3358 1 8 . 1 1 54 54 VAL H H 54 7.310 7.310 8.045 -0.735 18089
3359 1 8 . 1 1 55 55 ASP N N 55 119.630 119.630 119.384 0.246 18089
3360 1 8 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.488 -0.208 18089
3361 1 8 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.050 0.330 18089
3362 1 8 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.680 0.230 18089
3363 1 8 . 1 1 55 55 ASP H H 55 8.530 8.530 8.676 -0.146 18089
3364 1 8 . 1 1 56 56 LYS N N 56 118.060 118.060 120.024 -1.964 18089
3365 1 8 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.126 -0.196 18089
3366 1 8 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.416 0.404 18089
3367 1 8 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.723 -0.223 18089
3368 1 8 . 1 1 56 56 LYS H H 56 7.950 7.950 7.474 0.476 18089
3369 1 8 . 1 1 57 57 VAL N N 57 119.310 119.310 121.332 -2.022 18089
3370 1 8 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.991 -0.271 18089
3371 1 8 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.409 1.651 18089
3372 1 8 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.901 0.189 18089
3373 1 8 . 1 1 57 57 VAL H H 57 7.280 7.280 8.311 -1.031 18089
3374 1 8 . 1 1 58 58 MET N N 58 115.980 115.980 119.116 -3.136 18089
3375 1 8 . 1 1 58 58 MET HA H 58 4.090 4.090 4.103 -0.013 18089
3376 1 8 . 1 1 58 58 MET CA C 58 57.370 57.370 58.920 -1.550 18089
3377 1 8 . 1 1 58 58 MET CB C 58 31.310 31.310 31.693 -0.383 18089
3378 1 8 . 1 1 58 58 MET H H 58 8.360 8.360 8.232 0.128 18089
3379 1 8 . 1 1 59 59 LYS N N 59 118.900 118.900 117.353 1.547 18089
3380 1 8 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.117 -0.047 18089
3381 1 8 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.111 0.159 18089
3382 1 8 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.824 0.686 18089
3383 1 8 . 1 1 59 59 LYS H H 59 8.620 8.620 7.780 0.840 18089
3384 1 8 . 1 1 60 60 GLU N N 60 119.830 119.830 121.214 -1.384 18089
3385 1 8 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.267 -0.197 18089
3386 1 8 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.728 0.542 18089
3387 1 8 . 1 1 60 60 GLU CB C 60 28.660 28.660 29.997 -1.337 18089
3388 1 8 . 1 1 60 60 GLU H H 60 7.430 7.430 7.478 -0.048 18089
3389 1 8 . 1 1 61 61 LEU N N 61 116.920 116.920 119.854 -2.934 18089
3390 1 8 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.070 -0.120 18089
3391 1 8 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.695 -0.425 18089
3392 1 8 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.569 -1.019 18089
3393 1 8 . 1 1 61 61 LEU H H 61 7.580 7.580 8.502 -0.922 18089
3394 1 8 . 1 1 62 62 ASP N N 62 116.060 116.060 117.795 -1.735 18089
3395 1 8 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.398 0.062 18089
3396 1 8 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.051 -0.891 18089
3397 1 8 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.569 1.071 18089
3398 1 8 . 1 1 62 62 ASP H H 62 7.610 7.610 7.917 -0.307 18089
3399 1 8 . 1 1 63 63 GLU N N 63 118.870 118.870 115.216 3.654 18089
3400 1 8 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.351 -0.251 18089
3401 1 8 . 1 1 63 63 GLU CA C 63 58.040 58.040 56.676 1.364 18089
3402 1 8 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.269 0.781 18089
3403 1 8 . 1 1 63 63 GLU H H 63 8.120 8.120 7.749 0.371 18089
3404 1 8 . 1 1 64 64 ASN N N 64 117.720 117.720 117.553 0.167 18089
3405 1 8 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.884 0.276 18089
3406 1 8 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.644 -1.714 18089
3407 1 8 . 1 1 64 64 ASN CB C 64 38.650 38.650 40.349 -1.699 18089
3408 1 8 . 1 1 64 64 ASN H H 64 7.720 7.720 7.869 -0.149 18089
3409 1 8 . 1 1 65 65 GLY N N 65 107.110 107.110 109.826 -2.716 18089
3410 1 8 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.425 0.485 18089
3411 1 8 . 1 1 65 65 GLY H H 65 7.750 7.750 8.562 -0.812 18089
3412 1 8 . 1 1 66 66 ASP N N 66 115.600 115.600 119.407 -3.807 18089
3413 1 8 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.702 0.138 18089
3414 1 8 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.192 -0.142 18089
3415 1 8 . 1 1 66 66 ASP CB C 66 40.600 40.600 41.307 -0.708 18089
3416 1 8 . 1 1 66 66 ASP H H 66 8.320 8.320 8.304 0.016 18089
3417 1 8 . 1 1 67 67 GLY N N 67 109.220 109.220 108.263 0.957 18089
3418 1 8 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.239 0.571 18089
3419 1 8 . 1 1 67 67 GLY H H 67 8.260 8.260 7.975 0.285 18089
3420 1 8 . 1 1 68 68 GLU N N 68 117.450 117.450 119.002 -1.552 18089
3421 1 8 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.995 0.256 18089
3422 1 8 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.255 -0.285 18089
3423 1 8 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.002 0.918 18089
3424 1 8 . 1 1 68 68 GLU H H 68 8.500 8.500 8.418 0.082 18089
3425 1 8 . 1 1 69 69 VAL N N 69 115.390 115.390 114.778 0.612 18089
3426 1 8 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.805 0.165 18089
3427 1 8 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.755 -0.625 18089
3428 1 8 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.916 0.174 18089
3429 1 8 . 1 1 69 69 VAL H H 69 9.190 9.190 9.141 0.049 18089
3430 1 8 . 1 1 70 70 ASP N N 70 120.970 120.970 116.947 4.023 18089
3431 1 8 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.301 0.269 18089
3432 1 8 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.766 -1.726 18089
3433 1 8 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.764 -1.024 18089
3434 1 8 . 1 1 70 70 ASP H H 70 8.300 8.300 8.196 0.104 18089
3435 1 8 . 1 1 71 71 PHE N N 71 119.360 119.360 119.591 -0.231 18089
3436 1 8 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.072 0.408 18089
3437 1 8 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.306 0.195 18089
3438 1 8 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.505 1.095 18089
3439 1 8 . 1 1 71 71 PHE H H 71 9.520 9.520 8.973 0.547 18089
3440 1 8 . 1 1 72 72 GLN N N 72 116.880 116.880 118.312 -1.432 18089
3441 1 8 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.877 -0.457 18089
3442 1 8 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.369 1.411 18089
3443 1 8 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.530 0.450 18089
3444 1 8 . 1 1 72 72 GLN H H 72 8.180 8.180 9.321 -1.141 18089
3445 1 8 . 1 1 73 73 GLU N N 73 119.720 119.720 118.789 0.931 18089
3446 1 8 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.025 -0.035 18089
3447 1 8 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.515 0.675 18089
3448 1 8 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.048 1.422 18089
3449 1 8 . 1 1 73 73 GLU H H 73 8.250 8.250 7.686 0.564 18089
3450 1 8 . 1 1 74 74 TYR N N 74 122.440 122.440 122.336 0.104 18089
3451 1 8 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.124 0.216 18089
3452 1 8 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.866 -0.596 18089
3453 1 8 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.093 -1.273 18089
3454 1 8 . 1 1 74 74 TYR H H 74 8.250 8.250 7.955 0.294 18089
3455 1 8 . 1 1 75 75 VAL N N 75 120.220 120.220 117.522 2.698 18089
3456 1 8 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.335 -0.675 18089
3457 1 8 . 1 1 75 75 VAL CA C 75 66.980 66.980 66.452 0.528 18089
3458 1 8 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.163 -0.683 18089
3459 1 8 . 1 1 75 75 VAL H H 75 8.010 8.010 7.503 0.507 18089
3460 1 8 . 1 1 76 76 VAL N N 76 119.350 119.350 120.651 -1.301 18089
3461 1 8 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.726 -0.376 18089
3462 1 8 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.365 1.245 18089
3463 1 8 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.915 -0.205 18089
3464 1 8 . 1 1 76 76 VAL H H 76 7.540 7.540 8.060 -0.520 18089
3465 1 8 . 1 1 77 77 LEU N N 77 121.420 121.420 121.026 0.394 18089
3466 1 8 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.922 0.258 18089
3467 1 8 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.412 -0.152 18089
3468 1 8 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.593 0.357 18089
3469 1 8 . 1 1 77 77 LEU H H 77 7.760 7.760 7.937 -0.177 18089
3470 1 8 . 1 1 78 78 VAL N N 78 119.530 119.530 114.670 4.860 18089
3471 1 8 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.724 -0.284 18089
3472 1 8 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.196 2.034 18089
3473 1 8 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.091 0.319 18089
3474 1 8 . 1 1 78 78 VAL H H 78 8.370 8.370 7.135 1.235 18089
3475 1 8 . 1 1 79 79 ALA N N 79 125.030 125.030 122.606 2.424 18089
3476 1 8 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.088 -0.058 18089
3477 1 8 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.043 2.027 18089
3478 1 8 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.448 -0.428 18089
3479 1 8 . 1 1 79 79 ALA H H 79 9.070 9.070 7.112 1.958 18089
3480 1 8 . 1 1 80 80 ALA N N 80 122.060 122.060 121.484 0.576 18089
3481 1 8 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.862 0.128 18089
3482 1 8 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.926 0.454 18089
3483 1 8 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.135 -0.575 18089
3484 1 8 . 1 1 80 80 ALA H H 80 8.350 8.350 8.419 -0.069 18089
3485 1 8 . 1 1 81 81 LEU N N 81 117.650 117.650 115.902 1.748 18089
3486 1 8 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.732 0.318 18089
3487 1 8 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.204 0.486 18089
3488 1 8 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.768 1.062 18089
3489 1 8 . 1 1 81 81 LEU H H 81 8.060 8.060 7.304 0.756 18089
3490 1 8 . 1 1 82 82 THR N N 82 117.560 117.560 115.121 2.439 18089
3491 1 8 . 1 1 82 82 THR HA H 82 3.680 3.680 3.582 0.098 18089
3492 1 8 . 1 1 82 82 THR CA C 82 68.820 68.820 66.215 2.605 18089
3493 1 8 . 1 1 82 82 THR CB C 82 67.570 67.570 67.932 -0.362 18089
3494 1 8 . 1 1 82 82 THR H H 82 8.320 8.320 6.715 1.605 18089
3495 1 8 . 1 1 83 83 VAL N N 83 121.390 121.390 118.434 2.956 18089
3496 1 8 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.599 -0.509 18089
3497 1 8 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.954 -0.834 18089
3498 1 8 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.005 0.875 18089
3499 1 8 . 1 1 83 83 VAL H H 83 8.000 8.000 7.759 0.241 18089
3500 1 8 . 1 1 84 84 ALA N N 84 116.970 116.970 123.319 -6.349 18089
3501 1 8 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.011 0.570 18089
3502 1 8 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.127 -1.487 18089
3503 1 8 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.058 2.762 18089
3504 1 8 . 1 1 84 84 ALA H H 84 7.100 7.100 7.272 -0.172 18089
3505 1 8 . 1 1 85 85 CYS N N 85 112.170 112.170 115.098 -2.928 18089
3506 1 8 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.457 0.083 18089
3507 1 8 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.454 0.876 18089
3508 1 8 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.516 3.874 18089
3509 1 8 . 1 1 85 85 CYS H H 85 7.360 7.360 7.742 -0.382 18089
3510 1 8 . 1 1 86 86 ASN N N 86 118.980 118.980 119.448 -0.468 18089
3511 1 8 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.899 -0.419 18089
3512 1 8 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.879 -1.129 18089
3513 1 8 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.245 2.865 18089
3514 1 8 . 1 1 86 86 ASN H H 86 8.440 8.440 8.482 -0.042 18089
3515 1 8 . 1 1 87 87 ASN N N 87 124.820 124.820 119.606 5.214 18089
3516 1 8 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.139 0.211 18089
3517 1 8 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.451 1.039 18089
3518 1 8 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.724 0.607 18089
3519 1 8 . 1 1 87 87 ASN H H 87 9.210 9.210 8.153 1.057 18089
3520 1 8 . 1 1 88 88 PHE N N 88 120.560 120.560 120.075 0.485 18089
3521 1 8 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.587 0.523 18089
3522 1 8 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.763 0.717 18089
3523 1 8 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.672 0.788 18089
3524 1 8 . 1 1 88 88 PHE H H 88 8.690 8.690 7.543 1.147 18089
3525 1 8 . 1 1 89 89 PHE N N 89 112.650 112.650 117.003 -4.353 18089
3526 1 8 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.372 -0.613 18089
3527 1 8 . 1 1 89 89 PHE CA C 89 59.000 59.000 57.818 1.182 18089
3528 1 8 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.312 0.708 18089
3529 1 8 . 1 1 89 89 PHE H H 89 7.440 7.440 7.853 -0.413 18089
3530 1 8 . 1 1 90 90 TRP N N 90 118.650 118.650 120.798 -2.148 18089
3531 1 8 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.673 -0.083 18089
3532 1 8 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.534 1.766 18089
3533 1 8 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.056 5.394 18089
3534 1 8 . 1 1 90 90 TRP H H 90 7.360 7.360 7.995 -0.635 18089
3535 1 8 . 1 1 91 91 GLU N N 91 121.410 121.410 120.851 0.559 18089
3536 1 8 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.282 0.068 18089
3537 1 8 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.281 0.209 18089
3538 1 8 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.165 0.305 18089
3539 1 8 . 1 1 91 91 GLU H H 91 7.820 7.820 7.976 -0.156 18089
3540 1 8 . 1 1 92 92 ASN N N 92 120.680 120.680 120.402 0.278 18089
3541 1 8 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.594 0.136 18089
3542 1 8 . 1 1 92 92 ASN CA C 92 52.820 52.820 54.539 -1.719 18089
3543 1 8 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.786 0.224 18089
3544 1 8 . 1 1 92 92 ASN H H 92 8.590 8.590 8.420 0.170 18089
3545 1 9 . 1 1 2 2 SER N N 2 118.700 118.700 117.178 1.522 18089
3546 1 9 . 1 1 2 2 SER HA H 2 4.680 4.680 4.639 0.041 18089
3547 1 9 . 1 1 2 2 SER CA C 2 57.280 57.280 57.319 -0.040 18089
3548 1 9 . 1 1 2 2 SER CB C 2 65.190 65.190 65.068 0.122 18089
3549 1 9 . 1 1 2 2 SER H H 2 9.250 9.250 8.141 1.109 18089
3550 1 9 . 1 1 3 3 GLU N N 3 122.910 122.910 123.712 -0.802 18089
3551 1 9 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.138 -0.028 18089
3552 1 9 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.121 1.359 18089
3553 1 9 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.778 -0.768 18089
3554 1 9 . 1 1 3 3 GLU H H 3 9.250 9.250 8.855 0.395 18089
3555 1 9 . 1 1 4 4 LEU N N 4 121.150 121.150 117.425 3.725 18089
3556 1 9 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.035 0.015 18089
3557 1 9 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.624 0.066 18089
3558 1 9 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.197 0.953 18089
3559 1 9 . 1 1 4 4 LEU H H 4 8.940 8.940 8.259 0.681 18089
3560 1 9 . 1 1 5 5 GLU N N 5 118.630 118.630 119.469 -0.839 18089
3561 1 9 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.025 -0.785 18089
3562 1 9 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.575 0.135 18089
3563 1 9 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.311 -0.342 18089
3564 1 9 . 1 1 5 5 GLU H H 5 7.840 7.840 8.557 -0.717 18089
3565 1 9 . 1 1 6 6 THR N N 6 116.040 116.040 115.541 0.499 18089
3566 1 9 . 1 1 6 6 THR HA H 6 4.000 4.000 4.037 -0.037 18089
3567 1 9 . 1 1 6 6 THR CA C 6 66.620 66.620 65.621 1.000 18089
3568 1 9 . 1 1 6 6 THR CB C 6 68.650 68.650 68.120 0.530 18089
3569 1 9 . 1 1 6 6 THR H H 6 8.430 8.430 7.751 0.679 18089
3570 1 9 . 1 1 7 7 ALA N N 7 125.730 125.730 124.925 0.805 18089
3571 1 9 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.091 0.179 18089
3572 1 9 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.857 0.733 18089
3573 1 9 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.352 -0.202 18089
3574 1 9 . 1 1 7 7 ALA H H 7 8.290 8.290 7.308 0.982 18089
3575 1 9 . 1 1 8 8 MET N N 8 115.120 115.120 116.530 -1.410 18089
3576 1 9 . 1 1 8 8 MET HA H 8 4.870 4.870 4.136 0.734 18089
3577 1 9 . 1 1 8 8 MET CA C 8 56.540 56.540 58.949 -2.409 18089
3578 1 9 . 1 1 8 8 MET CB C 8 28.950 28.950 31.787 -2.837 18089
3579 1 9 . 1 1 8 8 MET H H 8 8.100 8.100 7.589 0.511 18089
3580 1 9 . 1 1 9 9 GLU N N 9 120.560 120.560 118.773 1.787 18089
3581 1 9 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.016 0.094 18089
3582 1 9 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.433 1.047 18089
3583 1 9 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.941 -0.101 18089
3584 1 9 . 1 1 9 9 GLU H H 9 8.710 8.710 8.062 0.648 18089
3585 1 9 . 1 1 10 10 THR N N 10 118.800 118.800 113.696 5.104 18089
3586 1 9 . 1 1 10 10 THR HA H 10 4.120 4.120 4.162 -0.042 18089
3587 1 9 . 1 1 10 10 THR CA C 10 67.230 67.230 65.340 1.890 18089
3588 1 9 . 1 1 10 10 THR CB C 10 67.570 67.570 68.623 -1.053 18089
3589 1 9 . 1 1 10 10 THR H H 10 8.470 8.470 7.968 0.502 18089
3590 1 9 . 1 1 11 11 LEU N N 11 121.860 121.860 120.775 1.085 18089
3591 1 9 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.292 -0.182 18089
3592 1 9 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.967 2.513 18089
3593 1 9 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.894 1.046 18089
3594 1 9 . 1 1 11 11 LEU H H 11 8.340 8.340 7.790 0.550 18089
3595 1 9 . 1 1 12 12 ILE N N 12 121.270 121.270 117.473 3.797 18089
3596 1 9 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.164 -0.614 18089
3597 1 9 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.656 1.504 18089
3598 1 9 . 1 1 12 12 ILE CB C 12 38.400 38.400 38.032 0.368 18089
3599 1 9 . 1 1 12 12 ILE H H 12 8.480 8.480 7.863 0.617 18089
3600 1 9 . 1 1 13 13 ASN N N 13 120.510 120.510 120.341 0.169 18089
3601 1 9 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.512 -0.162 18089
3602 1 9 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.304 0.186 18089
3603 1 9 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.804 0.136 18089
3604 1 9 . 1 1 13 13 ASN H H 13 8.690 8.690 8.500 0.190 18089
3605 1 9 . 1 1 14 14 VAL N N 14 121.990 121.990 118.264 3.726 18089
3606 1 9 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.954 -0.084 18089
3607 1 9 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.227 2.323 18089
3608 1 9 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.447 -0.737 18089
3609 1 9 . 1 1 14 14 VAL H H 14 8.880 8.880 7.399 1.482 18089
3610 1 9 . 1 1 15 15 PHE N N 15 120.470 120.470 120.401 0.069 18089
3611 1 9 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.715 -0.145 18089
3612 1 9 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.026 1.454 18089
3613 1 9 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.120 0.380 18089
3614 1 9 . 1 1 15 15 PHE H H 15 7.480 7.480 7.838 -0.358 18089
3615 1 9 . 1 1 16 16 HIS N N 16 118.280 118.280 116.633 1.647 18089
3616 1 9 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.320 0.930 18089
3617 1 9 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.734 -2.764 18089
3618 1 9 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.475 -0.345 18089
3619 1 9 . 1 1 16 16 HIS H H 16 9.270 9.270 8.070 1.200 18089
3620 1 9 . 1 1 17 17 ALA N N 17 121.080 121.080 123.567 -2.487 18089
3621 1 9 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.922 -0.082 18089
3622 1 9 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.389 0.051 18089
3623 1 9 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.533 -0.933 18089
3624 1 9 . 1 1 17 17 ALA H H 17 8.160 8.160 7.146 1.014 18089
3625 1 9 . 1 1 18 18 HIS N N 18 112.570 112.570 115.776 -3.206 18089
3626 1 9 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.701 -0.351 18089
3627 1 9 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.837 1.653 18089
3628 1 9 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.350 1.640 18089
3629 1 9 . 1 1 18 18 HIS H H 18 7.410 7.410 7.647 -0.237 18089
3630 1 9 . 1 1 19 19 SER HA H 19 4.110 4.110 4.244 -0.134 18089
3631 1 9 . 1 1 19 19 SER CA C 19 60.480 60.480 57.996 2.484 18089
3632 1 9 . 1 1 19 19 SER CB C 19 61.800 61.800 63.486 -1.686 18089
3633 1 9 . 1 1 20 20 GLY N N 20 106.720 106.720 113.804 -7.084 18089
3634 1 9 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.286 -0.046 18089
3635 1 9 . 1 1 20 20 GLY H H 20 8.260 8.260 8.651 -0.391 18089
3636 1 9 . 1 1 21 21 LYS N N 21 120.240 120.240 122.160 -1.920 18089
3637 1 9 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.978 0.012 18089
3638 1 9 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.566 -0.106 18089
3639 1 9 . 1 1 21 21 LYS CB C 21 32.500 32.500 31.901 0.599 18089
3640 1 9 . 1 1 21 21 LYS H H 21 7.640 7.640 8.028 -0.388 18089
3641 1 9 . 1 1 22 22 GLU N N 22 117.060 117.060 116.412 0.648 18089
3642 1 9 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.296 0.134 18089
3643 1 9 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.023 -0.643 18089
3644 1 9 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.823 1.217 18089
3645 1 9 . 1 1 22 22 GLU H H 22 7.840 7.840 7.999 -0.159 18089
3646 1 9 . 1 1 23 23 GLY N N 23 107.770 107.770 107.327 0.443 18089
3647 1 9 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.992 0.839 18089
3648 1 9 . 1 1 23 23 GLY H H 23 8.100 8.100 7.941 0.159 18089
3649 1 9 . 1 1 24 24 ASP N N 24 122.990 122.990 121.529 1.461 18089
3650 1 9 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.906 -0.326 18089
3651 1 9 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.138 0.472 18089
3652 1 9 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.739 0.621 18089
3653 1 9 . 1 1 24 24 ASP H H 24 8.190 8.190 8.229 -0.039 18089
3654 1 9 . 1 1 25 25 LYS N N 25 124.920 124.920 121.089 3.831 18089
3655 1 9 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.206 -0.116 18089
3656 1 9 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.570 -0.200 18089
3657 1 9 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.814 -0.804 18089
3658 1 9 . 1 1 25 25 LYS H H 25 8.440 8.440 8.542 -0.102 18089
3659 1 9 . 1 1 26 26 TYR N N 26 117.220 117.220 117.180 0.040 18089
3660 1 9 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.649 0.471 18089
3661 1 9 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.974 -0.594 18089
3662 1 9 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.254 -0.554 18089
3663 1 9 . 1 1 26 26 TYR H H 26 8.490 8.490 8.139 0.351 18089
3664 1 9 . 1 1 27 27 LYS N N 27 118.300 118.300 117.887 0.413 18089
3665 1 9 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.549 -0.059 18089
3666 1 9 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.188 -0.368 18089
3667 1 9 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.086 0.374 18089
3668 1 9 . 1 1 27 27 LYS H H 27 7.870 7.870 7.313 0.557 18089
3669 1 9 . 1 1 28 28 LEU N N 28 121.380 121.380 118.586 2.794 18089
3670 1 9 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.611 0.119 18089
3671 1 9 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.140 -1.320 18089
3672 1 9 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.148 0.222 18089
3673 1 9 . 1 1 28 28 LEU H H 28 8.830 8.830 8.887 -0.057 18089
3674 1 9 . 1 1 29 29 SER N N 29 120.620 120.620 114.187 6.433 18089
3675 1 9 . 1 1 29 29 SER HA H 29 5.030 5.030 4.903 0.127 18089
3676 1 9 . 1 1 29 29 SER CA C 29 57.890 57.890 56.993 0.896 18089
3677 1 9 . 1 1 29 29 SER CB C 29 64.270 64.270 64.721 -0.451 18089
3678 1 9 . 1 1 29 29 SER H H 29 8.940 8.940 8.555 0.385 18089
3679 1 9 . 1 1 30 30 LYS N N 30 124.430 124.430 126.184 -1.754 18089
3680 1 9 . 1 1 30 30 LYS HA H 30 3.870 3.870 3.979 -0.109 18089
3681 1 9 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.733 0.897 18089
3682 1 9 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.445 -0.735 18089
3683 1 9 . 1 1 30 30 LYS H H 30 8.820 8.820 8.233 0.587 18089
3684 1 9 . 1 1 31 31 LYS N N 31 120.230 120.230 118.105 2.125 18089
3685 1 9 . 1 1 31 31 LYS HA H 31 4.170 4.170 4.012 0.158 18089
3686 1 9 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.095 0.245 18089
3687 1 9 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.755 0.746 18089
3688 1 9 . 1 1 31 31 LYS H H 31 8.730 8.730 8.201 0.529 18089
3689 1 9 . 1 1 32 32 GLU N N 32 121.570 121.570 120.656 0.914 18089
3690 1 9 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.184 -0.084 18089
3691 1 9 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.328 -0.288 18089
3692 1 9 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.475 -0.805 18089
3693 1 9 . 1 1 32 32 GLU H H 32 7.780 7.780 7.836 -0.056 18089
3694 1 9 . 1 1 33 33 LEU N N 33 121.620 121.620 120.853 0.767 18089
3695 1 9 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.949 0.051 18089
3696 1 9 . 1 1 33 33 LEU CA C 33 57.290 57.290 58.293 -1.003 18089
3697 1 9 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.858 -1.358 18089
3698 1 9 . 1 1 33 33 LEU H H 33 8.910 8.910 7.922 0.988 18089
3699 1 9 . 1 1 34 34 LYS N N 34 120.460 120.460 119.017 1.443 18089
3700 1 9 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.974 -0.354 18089
3701 1 9 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.809 1.131 18089
3702 1 9 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.179 -0.769 18089
3703 1 9 . 1 1 34 34 LYS H H 34 8.440 8.440 8.487 -0.047 18089
3704 1 9 . 1 1 35 35 GLU N N 35 117.190 117.190 118.815 -1.625 18089
3705 1 9 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.430 -0.360 18089
3706 1 9 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.852 0.418 18089
3707 1 9 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.752 -0.722 18089
3708 1 9 . 1 1 35 35 GLU H H 35 7.200 7.200 7.667 -0.467 18089
3709 1 9 . 1 1 36 36 LEU N N 36 122.760 122.760 118.785 3.975 18089
3710 1 9 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.271 -0.511 18089
3711 1 9 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.735 1.265 18089
3712 1 9 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.886 0.393 18089
3713 1 9 . 1 1 36 36 LEU H H 36 8.310 8.310 7.817 0.493 18089
3714 1 9 . 1 1 37 37 LEU N N 37 120.220 120.220 118.813 1.407 18089
3715 1 9 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.312 -0.632 18089
3716 1 9 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.567 0.753 18089
3717 1 9 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.741 -1.221 18089
3718 1 9 . 1 1 37 37 LEU H H 37 8.820 8.820 8.807 0.013 18089
3719 1 9 . 1 1 38 38 GLN N N 38 113.470 113.470 116.948 -3.478 18089
3720 1 9 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.214 -0.454 18089
3721 1 9 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.243 0.757 18089
3722 1 9 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.561 0.299 18089
3723 1 9 . 1 1 38 38 GLN H H 38 8.110 8.110 7.961 0.149 18089
3724 1 9 . 1 1 39 39 THR N N 39 109.960 109.960 112.776 -2.816 18089
3725 1 9 . 1 1 39 39 THR HA H 39 4.290 4.290 4.431 -0.141 18089
3726 1 9 . 1 1 39 39 THR CA C 39 64.560 64.560 62.711 1.849 18089
3727 1 9 . 1 1 39 39 THR CB C 39 69.750 69.750 69.384 0.366 18089
3728 1 9 . 1 1 39 39 THR H H 39 7.720 7.720 7.623 0.097 18089
3729 1 9 . 1 1 40 40 GLU N N 40 118.420 118.420 119.710 -1.290 18089
3730 1 9 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.385 0.335 18089
3731 1 9 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.011 -0.221 18089
3732 1 9 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.736 -1.536 18089
3733 1 9 . 1 1 40 40 GLU H H 40 9.020 9.020 8.070 0.950 18089
3734 1 9 . 1 1 41 41 LEU N N 41 119.120 119.120 118.593 0.527 18089
3735 1 9 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.634 0.496 18089
3736 1 9 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.156 -1.996 18089
3737 1 9 . 1 1 41 41 LEU CB C 41 42.040 42.040 44.433 -2.393 18089
3738 1 9 . 1 1 41 41 LEU H H 41 7.760 7.760 7.568 0.192 18089
3739 1 9 . 1 1 42 42 SER N N 42 112.960 112.960 116.176 -3.216 18089
3740 1 9 . 1 1 42 42 SER HA H 42 3.870 3.870 4.094 -0.224 18089
3741 1 9 . 1 1 42 42 SER CA C 42 61.630 61.630 59.106 2.524 18089
3742 1 9 . 1 1 42 42 SER CB C 42 62.790 62.790 61.415 1.375 18089
3743 1 9 . 1 1 42 42 SER H H 42 6.940 6.940 8.247 -1.307 18089
3744 1 9 . 1 1 43 43 GLY N N 43 114.580 114.580 110.538 4.042 18089
3745 1 9 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.264 1.516 18089
3746 1 9 . 1 1 43 43 GLY H H 43 9.250 9.250 8.438 0.812 18089
3747 1 9 . 1 1 44 44 PHE N N 44 124.560 124.560 118.953 5.607 18089
3748 1 9 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.340 0.250 18089
3749 1 9 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.151 -1.671 18089
3750 1 9 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.270 -2.320 18089
3751 1 9 . 1 1 44 44 PHE H H 44 8.320 8.320 6.873 1.447 18089
3752 1 9 . 1 1 45 45 LEU N N 45 116.140 116.140 119.990 -3.850 18089
3753 1 9 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.003 0.167 18089
3754 1 9 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.709 -0.340 18089
3755 1 9 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.961 0.289 18089
3756 1 9 . 1 1 45 45 LEU H H 45 8.650 8.650 7.655 0.995 18089
3757 1 9 . 1 1 46 46 ASP N N 46 119.960 119.960 117.041 2.919 18089
3758 1 9 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.533 0.177 18089
3759 1 9 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.102 0.538 18089
3760 1 9 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.020 0.500 18089
3761 1 9 . 1 1 46 46 ASP H H 46 7.730 7.730 8.044 -0.314 18089
3762 1 9 . 1 1 47 47 ALA N N 47 124.260 124.260 119.946 4.314 18089
3763 1 9 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.512 0.108 18089
3764 1 9 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.270 -1.760 18089
3765 1 9 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.576 -1.726 18089
3766 1 9 . 1 1 47 47 ALA H H 47 7.740 7.740 7.708 0.032 18089
3767 1 9 . 1 1 48 48 GLN N N 48 117.380 117.380 118.056 -0.676 18089
3768 1 9 . 1 1 48 48 GLN HA H 48 4.090 4.090 3.995 0.095 18089
3769 1 9 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.462 0.908 18089
3770 1 9 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.852 2.618 18089
3771 1 9 . 1 1 48 48 GLN H H 48 7.650 7.650 8.571 -0.921 18089
3772 1 9 . 1 1 49 49 LYS N N 49 121.400 121.400 120.561 0.839 18089
3773 1 9 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.270 -0.140 18089
3774 1 9 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.326 -0.086 18089
3775 1 9 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.869 -1.949 18089
3776 1 9 . 1 1 49 49 LYS H H 49 8.000 8.000 8.177 -0.177 18089
3777 1 9 . 1 1 50 50 ASP N N 50 119.180 119.180 122.619 -3.439 18089
3778 1 9 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.795 -0.135 18089
3779 1 9 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.441 -1.841 18089
3780 1 9 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.350 0.510 18089
3781 1 9 . 1 1 50 50 ASP H H 50 7.500 7.500 7.838 -0.338 18089
3782 1 9 . 1 1 51 51 VAL N N 51 122.100 122.100 124.637 -2.537 18089
3783 1 9 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.643 0.217 18089
3784 1 9 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.104 -1.354 18089
3785 1 9 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.412 0.558 18089
3786 1 9 . 1 1 51 51 VAL H H 51 7.670 7.670 8.464 -0.794 18089
3787 1 9 . 1 1 52 52 ASP N N 52 119.490 119.490 119.737 -0.247 18089
3788 1 9 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.333 0.017 18089
3789 1 9 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.772 -0.612 18089
3790 1 9 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.276 0.324 18089
3791 1 9 . 1 1 52 52 ASP H H 52 8.130 8.130 8.301 -0.171 18089
3792 1 9 . 1 1 53 53 ALA N N 53 122.220 122.220 122.377 -0.157 18089
3793 1 9 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.279 -0.259 18089
3794 1 9 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.896 -0.336 18089
3795 1 9 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.868 -0.128 18089
3796 1 9 . 1 1 53 53 ALA H H 53 7.540 7.540 7.645 -0.105 18089
3797 1 9 . 1 1 54 54 VAL N N 54 118.080 118.080 119.135 -1.055 18089
3798 1 9 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.598 -0.248 18089
3799 1 9 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.854 -0.274 18089
3800 1 9 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.921 0.799 18089
3801 1 9 . 1 1 54 54 VAL H H 54 7.310 7.310 8.370 -1.060 18089
3802 1 9 . 1 1 55 55 ASP N N 55 119.630 119.630 119.475 0.155 18089
3803 1 9 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.447 -0.167 18089
3804 1 9 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.303 0.077 18089
3805 1 9 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.780 0.130 18089
3806 1 9 . 1 1 55 55 ASP H H 55 8.530 8.530 8.775 -0.245 18089
3807 1 9 . 1 1 56 56 LYS N N 56 118.060 118.060 119.953 -1.893 18089
3808 1 9 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.107 -0.177 18089
3809 1 9 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.458 0.362 18089
3810 1 9 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.681 -0.181 18089
3811 1 9 . 1 1 56 56 LYS H H 56 7.950 7.950 7.371 0.579 18089
3812 1 9 . 1 1 57 57 VAL N N 57 119.310 119.310 121.300 -1.990 18089
3813 1 9 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.924 -0.204 18089
3814 1 9 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.682 1.378 18089
3815 1 9 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.661 0.429 18089
3816 1 9 . 1 1 57 57 VAL H H 57 7.280 7.280 8.208 -0.928 18089
3817 1 9 . 1 1 58 58 MET N N 58 115.980 115.980 119.030 -3.050 18089
3818 1 9 . 1 1 58 58 MET HA H 58 4.090 4.090 4.071 0.019 18089
3819 1 9 . 1 1 58 58 MET CA C 58 57.370 57.370 59.122 -1.752 18089
3820 1 9 . 1 1 58 58 MET CB C 58 31.310 31.310 31.852 -0.542 18089
3821 1 9 . 1 1 58 58 MET H H 58 8.360 8.360 8.175 0.185 18089
3822 1 9 . 1 1 59 59 LYS N N 59 118.900 118.900 117.457 1.443 18089
3823 1 9 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.053 0.017 18089
3824 1 9 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.179 0.090 18089
3825 1 9 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.831 0.679 18089
3826 1 9 . 1 1 59 59 LYS H H 59 8.620 8.620 7.728 0.892 18089
3827 1 9 . 1 1 60 60 GLU N N 60 119.830 119.830 121.113 -1.283 18089
3828 1 9 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.348 -0.278 18089
3829 1 9 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.719 0.551 18089
3830 1 9 . 1 1 60 60 GLU CB C 60 28.660 28.660 29.988 -1.329 18089
3831 1 9 . 1 1 60 60 GLU H H 60 7.430 7.430 7.598 -0.168 18089
3832 1 9 . 1 1 61 61 LEU N N 61 116.920 116.920 119.839 -2.919 18089
3833 1 9 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.221 -0.271 18089
3834 1 9 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.054 0.216 18089
3835 1 9 . 1 1 61 61 LEU CB C 61 40.550 40.550 42.075 -1.525 18089
3836 1 9 . 1 1 61 61 LEU H H 61 7.580 7.580 8.414 -0.834 18089
3837 1 9 . 1 1 62 62 ASP N N 62 116.060 116.060 118.152 -2.092 18089
3838 1 9 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.381 0.079 18089
3839 1 9 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.092 -0.932 18089
3840 1 9 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.358 0.282 18089
3841 1 9 . 1 1 62 62 ASP H H 62 7.610 7.610 7.993 -0.383 18089
3842 1 9 . 1 1 63 63 GLU N N 63 118.870 118.870 115.735 3.135 18089
3843 1 9 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.391 -0.291 18089
3844 1 9 . 1 1 63 63 GLU CA C 63 58.040 58.040 56.451 1.589 18089
3845 1 9 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.485 0.565 18089
3846 1 9 . 1 1 63 63 GLU H H 63 8.120 8.120 7.785 0.335 18089
3847 1 9 . 1 1 64 64 ASN N N 64 117.720 117.720 117.806 -0.086 18089
3848 1 9 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.918 0.242 18089
3849 1 9 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.181 -1.250 18089
3850 1 9 . 1 1 64 64 ASN CB C 64 38.650 38.650 40.167 -1.517 18089
3851 1 9 . 1 1 64 64 ASN H H 64 7.720 7.720 7.850 -0.130 18089
3852 1 9 . 1 1 65 65 GLY N N 65 107.110 107.110 110.384 -3.274 18089
3853 1 9 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.439 0.471 18089
3854 1 9 . 1 1 65 65 GLY H H 65 7.750 7.750 8.039 -0.289 18089
3855 1 9 . 1 1 66 66 ASP N N 66 115.600 115.600 120.348 -4.748 18089
3856 1 9 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.533 0.307 18089
3857 1 9 . 1 1 66 66 ASP CA C 66 54.050 54.050 55.083 -1.033 18089
3858 1 9 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.506 0.094 18089
3859 1 9 . 1 1 66 66 ASP H H 66 8.320 8.320 8.044 0.276 18089
3860 1 9 . 1 1 67 67 GLY N N 67 109.220 109.220 108.461 0.759 18089
3861 1 9 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.961 -0.151 18089
3862 1 9 . 1 1 67 67 GLY H H 67 8.260 8.260 8.104 0.156 18089
3863 1 9 . 1 1 68 68 GLU N N 68 117.450 117.450 117.914 -0.464 18089
3864 1 9 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.273 -0.023 18089
3865 1 9 . 1 1 68 68 GLU CA C 68 54.970 54.970 54.923 0.047 18089
3866 1 9 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.127 0.793 18089
3867 1 9 . 1 1 68 68 GLU H H 68 8.500 8.500 8.329 0.171 18089
3868 1 9 . 1 1 69 69 VAL N N 69 115.390 115.390 114.770 0.620 18089
3869 1 9 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.811 0.159 18089
3870 1 9 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.597 -0.467 18089
3871 1 9 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.951 0.139 18089
3872 1 9 . 1 1 69 69 VAL H H 69 9.190 9.190 9.014 0.176 18089
3873 1 9 . 1 1 70 70 ASP N N 70 120.970 120.970 116.390 4.580 18089
3874 1 9 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.339 0.231 18089
3875 1 9 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.827 -1.787 18089
3876 1 9 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.626 -0.886 18089
3877 1 9 . 1 1 70 70 ASP H H 70 8.300 8.300 8.205 0.095 18089
3878 1 9 . 1 1 71 71 PHE N N 71 119.360 119.360 119.398 -0.038 18089
3879 1 9 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.176 0.304 18089
3880 1 9 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.946 -0.446 18089
3881 1 9 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.729 0.871 18089
3882 1 9 . 1 1 71 71 PHE H H 71 9.520 9.520 9.106 0.414 18089
3883 1 9 . 1 1 72 72 GLN N N 72 116.880 116.880 118.497 -1.617 18089
3884 1 9 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.820 -0.400 18089
3885 1 9 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.808 0.972 18089
3886 1 9 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.433 0.547 18089
3887 1 9 . 1 1 72 72 GLN H H 72 8.180 8.180 9.369 -1.189 18089
3888 1 9 . 1 1 73 73 GLU N N 73 119.720 119.720 118.619 1.101 18089
3889 1 9 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.014 -0.024 18089
3890 1 9 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.581 0.608 18089
3891 1 9 . 1 1 73 73 GLU CB C 73 30.470 30.470 28.770 1.700 18089
3892 1 9 . 1 1 73 73 GLU H H 73 8.250 8.250 7.815 0.435 18089
3893 1 9 . 1 1 74 74 TYR N N 74 122.440 122.440 121.897 0.543 18089
3894 1 9 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.109 0.231 18089
3895 1 9 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.913 -0.643 18089
3896 1 9 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.053 -1.233 18089
3897 1 9 . 1 1 74 74 TYR H H 74 8.250 8.250 8.382 -0.132 18089
3898 1 9 . 1 1 75 75 VAL N N 75 120.220 120.220 117.525 2.695 18089
3899 1 9 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.340 -0.680 18089
3900 1 9 . 1 1 75 75 VAL CA C 75 66.980 66.980 66.472 0.508 18089
3901 1 9 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.124 -0.644 18089
3902 1 9 . 1 1 75 75 VAL H H 75 8.010 8.010 7.725 0.285 18089
3903 1 9 . 1 1 76 76 VAL N N 76 119.350 119.350 120.635 -1.285 18089
3904 1 9 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.737 -0.387 18089
3905 1 9 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.334 1.276 18089
3906 1 9 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.933 -0.223 18089
3907 1 9 . 1 1 76 76 VAL H H 76 7.540 7.540 7.957 -0.417 18089
3908 1 9 . 1 1 77 77 LEU N N 77 121.420 121.420 120.999 0.421 18089
3909 1 9 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.937 0.243 18089
3910 1 9 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.447 -0.187 18089
3911 1 9 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.626 0.324 18089
3912 1 9 . 1 1 77 77 LEU H H 77 7.760 7.760 7.984 -0.224 18089
3913 1 9 . 1 1 78 78 VAL N N 78 119.530 119.530 115.374 4.156 18089
3914 1 9 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.768 -0.328 18089
3915 1 9 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.793 1.437 18089
3916 1 9 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.227 0.183 18089
3917 1 9 . 1 1 78 78 VAL H H 78 8.370 8.370 7.171 1.199 18089
3918 1 9 . 1 1 79 79 ALA N N 79 125.030 125.030 122.434 2.596 18089
3919 1 9 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.103 -0.073 18089
3920 1 9 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.128 1.942 18089
3921 1 9 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.333 -0.313 18089
3922 1 9 . 1 1 79 79 ALA H H 79 9.070 9.070 7.219 1.851 18089
3923 1 9 . 1 1 80 80 ALA N N 80 122.060 122.060 121.515 0.545 18089
3924 1 9 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.879 0.111 18089
3925 1 9 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.982 0.398 18089
3926 1 9 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.172 -0.612 18089
3927 1 9 . 1 1 80 80 ALA H H 80 8.350 8.350 8.496 -0.146 18089
3928 1 9 . 1 1 81 81 LEU N N 81 117.650 117.650 115.112 2.538 18089
3929 1 9 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.811 0.239 18089
3930 1 9 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.025 0.665 18089
3931 1 9 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.452 0.378 18089
3932 1 9 . 1 1 81 81 LEU H H 81 8.060 8.060 7.406 0.654 18089
3933 1 9 . 1 1 82 82 THR N N 82 117.560 117.560 115.780 1.780 18089
3934 1 9 . 1 1 82 82 THR HA H 82 3.680 3.680 2.748 0.932 18089
3935 1 9 . 1 1 82 82 THR CA C 82 68.820 68.820 66.206 2.614 18089
3936 1 9 . 1 1 82 82 THR CB C 82 67.570 67.570 68.375 -0.805 18089
3937 1 9 . 1 1 82 82 THR H H 82 8.320 8.320 6.874 1.446 18089
3938 1 9 . 1 1 83 83 VAL N N 83 121.390 121.390 118.217 3.173 18089
3939 1 9 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.620 -0.530 18089
3940 1 9 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.509 -0.389 18089
3941 1 9 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.024 0.856 18089
3942 1 9 . 1 1 83 83 VAL H H 83 8.000 8.000 7.874 0.126 18089
3943 1 9 . 1 1 84 84 ALA N N 84 116.970 116.970 121.885 -4.915 18089
3944 1 9 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.970 0.610 18089
3945 1 9 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.058 -1.418 18089
3946 1 9 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.116 2.704 18089
3947 1 9 . 1 1 84 84 ALA H H 84 7.100 7.100 7.412 -0.312 18089
3948 1 9 . 1 1 85 85 CYS N N 85 112.170 112.170 114.156 -1.986 18089
3949 1 9 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.420 0.120 18089
3950 1 9 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.167 1.163 18089
3951 1 9 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.324 4.066 18089
3952 1 9 . 1 1 85 85 CYS H H 85 7.360 7.360 7.619 -0.259 18089
3953 1 9 . 1 1 86 86 ASN N N 86 118.980 118.980 121.021 -2.041 18089
3954 1 9 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.878 -0.398 18089
3955 1 9 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.693 -0.943 18089
3956 1 9 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.532 3.579 18089
3957 1 9 . 1 1 86 86 ASN H H 86 8.440 8.440 8.651 -0.211 18089
3958 1 9 . 1 1 87 87 ASN N N 87 124.820 124.820 119.703 5.117 18089
3959 1 9 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.245 0.105 18089
3960 1 9 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.498 0.993 18089
3961 1 9 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.700 0.630 18089
3962 1 9 . 1 1 87 87 ASN H H 87 9.210 9.210 7.387 1.823 18089
3963 1 9 . 1 1 88 88 PHE N N 88 120.560 120.560 120.603 -0.043 18089
3964 1 9 . 1 1 88 88 PHE HA H 88 4.110 4.110 2.882 1.228 18089
3965 1 9 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.225 0.255 18089
3966 1 9 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.425 1.035 18089
3967 1 9 . 1 1 88 88 PHE H H 88 8.690 8.690 7.203 1.487 18089
3968 1 9 . 1 1 89 89 PHE N N 89 112.650 112.650 116.235 -3.585 18089
3969 1 9 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.310 -0.550 18089
3970 1 9 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.314 0.686 18089
3971 1 9 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.152 0.868 18089
3972 1 9 . 1 1 89 89 PHE H H 89 7.440 7.440 7.922 -0.482 18089
3973 1 9 . 1 1 90 90 TRP N N 90 118.650 118.650 118.698 -0.048 18089
3974 1 9 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.511 0.079 18089
3975 1 9 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.107 1.193 18089
3976 1 9 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.632 4.818 18089
3977 1 9 . 1 1 90 90 TRP H H 90 7.360 7.360 7.665 -0.305 18089
3978 1 9 . 1 1 91 91 GLU N N 91 121.410 121.410 121.160 0.250 18089
3979 1 9 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.082 0.268 18089
3980 1 9 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.100 0.390 18089
3981 1 9 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.938 0.532 18089
3982 1 9 . 1 1 91 91 GLU H H 91 7.820 7.820 7.820 0.000 18089
3983 1 9 . 1 1 92 92 ASN N N 92 120.680 120.680 117.790 2.890 18089
3984 1 9 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.783 -0.053 18089
3985 1 9 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.218 -0.398 18089
3986 1 9 . 1 1 92 92 ASN CB C 92 39.010 39.010 39.011 -0.001 18089
3987 1 9 . 1 1 92 92 ASN H H 92 8.590 8.590 8.588 0.002 18089
3988 1 10 . 1 1 2 2 SER N N 2 118.700 118.700 116.984 1.716 18089
3989 1 10 . 1 1 2 2 SER HA H 2 4.680 4.680 4.564 0.116 18089
3990 1 10 . 1 1 2 2 SER CA C 2 57.280 57.280 57.039 0.241 18089
3991 1 10 . 1 1 2 2 SER CB C 2 65.190 65.190 64.720 0.470 18089
3992 1 10 . 1 1 2 2 SER H H 2 9.250 9.250 8.144 1.106 18089
3993 1 10 . 1 1 3 3 GLU N N 3 122.910 122.910 122.519 0.391 18089
3994 1 10 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.171 -0.061 18089
3995 1 10 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.777 1.703 18089
3996 1 10 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.812 -0.802 18089
3997 1 10 . 1 1 3 3 GLU H H 3 9.250 9.250 8.858 0.392 18089
3998 1 10 . 1 1 4 4 LEU N N 4 121.150 121.150 118.006 3.144 18089
3999 1 10 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.072 -0.022 18089
4000 1 10 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.528 0.162 18089
4001 1 10 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.178 0.972 18089
4002 1 10 . 1 1 4 4 LEU H H 4 8.940 8.940 8.163 0.777 18089
4003 1 10 . 1 1 5 5 GLU N N 5 118.630 118.630 119.018 -0.388 18089
4004 1 10 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.037 -0.797 18089
4005 1 10 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.312 0.398 18089
4006 1 10 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.886 0.084 18089
4007 1 10 . 1 1 5 5 GLU H H 5 7.840 7.840 8.754 -0.913 18089
4008 1 10 . 1 1 6 6 THR N N 6 116.040 116.040 115.147 0.893 18089
4009 1 10 . 1 1 6 6 THR HA H 6 4.000 4.000 4.061 -0.061 18089
4010 1 10 . 1 1 6 6 THR CA C 6 66.620 66.620 65.447 1.173 18089
4011 1 10 . 1 1 6 6 THR CB C 6 68.650 68.650 68.376 0.274 18089
4012 1 10 . 1 1 6 6 THR H H 6 8.430 8.430 7.745 0.685 18089
4013 1 10 . 1 1 7 7 ALA N N 7 125.730 125.730 124.991 0.739 18089
4014 1 10 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.076 0.194 18089
4015 1 10 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.036 0.554 18089
4016 1 10 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.411 -0.261 18089
4017 1 10 . 1 1 7 7 ALA H H 7 8.290 8.290 7.695 0.595 18089
4018 1 10 . 1 1 8 8 MET N N 8 115.120 115.120 116.351 -1.231 18089
4019 1 10 . 1 1 8 8 MET HA H 8 4.870 4.870 4.146 0.724 18089
4020 1 10 . 1 1 8 8 MET CA C 8 56.540 56.540 58.935 -2.395 18089
4021 1 10 . 1 1 8 8 MET CB C 8 28.950 28.950 31.876 -2.926 18089
4022 1 10 . 1 1 8 8 MET H H 8 8.100 8.100 7.569 0.531 18089
4023 1 10 . 1 1 9 9 GLU N N 9 120.560 120.560 118.373 2.187 18089
4024 1 10 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.963 0.147 18089
4025 1 10 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.383 1.097 18089
4026 1 10 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.983 -0.143 18089
4027 1 10 . 1 1 9 9 GLU H H 9 8.710 8.710 7.948 0.762 18089
4028 1 10 . 1 1 10 10 THR N N 10 118.800 118.800 113.532 5.268 18089
4029 1 10 . 1 1 10 10 THR HA H 10 4.120 4.120 4.167 -0.047 18089
4030 1 10 . 1 1 10 10 THR CA C 10 67.230 67.230 65.290 1.940 18089
4031 1 10 . 1 1 10 10 THR CB C 10 67.570 67.570 68.633 -1.063 18089
4032 1 10 . 1 1 10 10 THR H H 10 8.470 8.470 7.902 0.568 18089
4033 1 10 . 1 1 11 11 LEU N N 11 121.860 121.860 120.688 1.172 18089
4034 1 10 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.254 -0.144 18089
4035 1 10 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.891 2.589 18089
4036 1 10 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.745 1.195 18089
4037 1 10 . 1 1 11 11 LEU H H 11 8.340 8.340 7.710 0.630 18089
4038 1 10 . 1 1 12 12 ILE N N 12 121.270 121.270 117.353 3.917 18089
4039 1 10 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.175 -0.625 18089
4040 1 10 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.677 1.483 18089
4041 1 10 . 1 1 12 12 ILE CB C 12 38.400 38.400 38.027 0.373 18089
4042 1 10 . 1 1 12 12 ILE H H 12 8.480 8.480 7.824 0.656 18089
4043 1 10 . 1 1 13 13 ASN N N 13 120.510 120.510 120.540 -0.030 18089
4044 1 10 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.503 -0.153 18089
4045 1 10 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.368 0.122 18089
4046 1 10 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.988 -0.048 18089
4047 1 10 . 1 1 13 13 ASN H H 13 8.690 8.690 8.598 0.092 18089
4048 1 10 . 1 1 14 14 VAL N N 14 121.990 121.990 117.964 4.026 18089
4049 1 10 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.954 -0.084 18089
4050 1 10 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.577 1.973 18089
4051 1 10 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.687 -0.977 18089
4052 1 10 . 1 1 14 14 VAL H H 14 8.880 8.880 7.447 1.433 18089
4053 1 10 . 1 1 15 15 PHE N N 15 120.470 120.470 119.665 0.805 18089
4054 1 10 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.758 -0.188 18089
4055 1 10 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.950 1.530 18089
4056 1 10 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.114 0.386 18089
4057 1 10 . 1 1 15 15 PHE H H 15 7.480 7.480 7.769 -0.289 18089
4058 1 10 . 1 1 16 16 HIS N N 16 118.280 118.280 116.270 2.010 18089
4059 1 10 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.422 0.828 18089
4060 1 10 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.197 -3.227 18089
4061 1 10 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.611 -0.481 18089
4062 1 10 . 1 1 16 16 HIS H H 16 9.270 9.270 8.295 0.975 18089
4063 1 10 . 1 1 17 17 ALA N N 17 121.080 121.080 123.952 -2.872 18089
4064 1 10 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.999 -0.159 18089
4065 1 10 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.017 0.423 18089
4066 1 10 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.765 -1.165 18089
4067 1 10 . 1 1 17 17 ALA H H 17 8.160 8.160 7.413 0.747 18089
4068 1 10 . 1 1 18 18 HIS N N 18 112.570 112.570 115.676 -3.106 18089
4069 1 10 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.627 -0.277 18089
4070 1 10 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.778 1.712 18089
4071 1 10 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.592 1.398 18089
4072 1 10 . 1 1 18 18 HIS H H 18 7.410 7.410 7.469 -0.059 18089
4073 1 10 . 1 1 19 19 SER HA H 19 4.110 4.110 3.926 0.184 18089
4074 1 10 . 1 1 19 19 SER CA C 19 60.480 60.480 59.739 0.742 18089
4075 1 10 . 1 1 19 19 SER CB C 19 61.800 61.800 63.249 -1.449 18089
4076 1 10 . 1 1 20 20 GLY N N 20 106.720 106.720 112.946 -6.226 18089
4077 1 10 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.393 -0.153 18089
4078 1 10 . 1 1 20 20 GLY H H 20 8.260 8.260 8.760 -0.500 18089
4079 1 10 . 1 1 21 21 LYS N N 21 120.240 120.240 122.008 -1.768 18089
4080 1 10 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.023 -0.033 18089
4081 1 10 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.545 -0.086 18089
4082 1 10 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.048 0.452 18089
4083 1 10 . 1 1 21 21 LYS H H 21 7.640 7.640 7.739 -0.099 18089
4084 1 10 . 1 1 22 22 GLU N N 22 117.060 117.060 117.006 0.054 18089
4085 1 10 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.239 0.191 18089
4086 1 10 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.328 -0.948 18089
4087 1 10 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.681 1.359 18089
4088 1 10 . 1 1 22 22 GLU H H 22 7.840 7.840 8.087 -0.247 18089
4089 1 10 . 1 1 23 23 GLY N N 23 107.770 107.770 106.598 1.172 18089
4090 1 10 . 1 1 23 23 GLY CA C 23 45.830 45.830 45.514 0.316 18089
4091 1 10 . 1 1 23 23 GLY H H 23 8.100 8.100 7.817 0.283 18089
4092 1 10 . 1 1 24 24 ASP N N 24 122.990 122.990 122.116 0.874 18089
4093 1 10 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.908 -0.328 18089
4094 1 10 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.197 0.413 18089
4095 1 10 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.203 1.157 18089
4096 1 10 . 1 1 24 24 ASP H H 24 8.190 8.190 7.968 0.222 18089
4097 1 10 . 1 1 25 25 LYS N N 25 124.920 124.920 124.102 0.818 18089
4098 1 10 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.879 0.211 18089
4099 1 10 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.876 -1.506 18089
4100 1 10 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.407 -0.397 18089
4101 1 10 . 1 1 25 25 LYS H H 25 8.440 8.440 8.792 -0.352 18089
4102 1 10 . 1 1 26 26 TYR N N 26 117.220 117.220 114.879 2.341 18089
4103 1 10 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.564 0.556 18089
4104 1 10 . 1 1 26 26 TYR CA C 26 57.380 57.380 58.725 -1.345 18089
4105 1 10 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.856 -0.156 18089
4106 1 10 . 1 1 26 26 TYR H H 26 8.490 8.490 8.056 0.434 18089
4107 1 10 . 1 1 27 27 LYS N N 27 118.300 118.300 117.438 0.862 18089
4108 1 10 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.558 -0.068 18089
4109 1 10 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.046 -0.226 18089
4110 1 10 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.237 0.223 18089
4111 1 10 . 1 1 27 27 LYS H H 27 7.870 7.870 7.916 -0.046 18089
4112 1 10 . 1 1 28 28 LEU N N 28 121.380 121.380 118.016 3.364 18089
4113 1 10 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.587 0.143 18089
4114 1 10 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.224 -1.403 18089
4115 1 10 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.818 0.552 18089
4116 1 10 . 1 1 28 28 LEU H H 28 8.830 8.830 8.982 -0.152 18089
4117 1 10 . 1 1 29 29 SER N N 29 120.620 120.620 114.592 6.028 18089
4118 1 10 . 1 1 29 29 SER HA H 29 5.030 5.030 5.114 -0.084 18089
4119 1 10 . 1 1 29 29 SER CA C 29 57.890 57.890 57.085 0.805 18089
4120 1 10 . 1 1 29 29 SER CB C 29 64.270 64.270 65.387 -1.117 18089
4121 1 10 . 1 1 29 29 SER H H 29 8.940 8.940 8.564 0.376 18089
4122 1 10 . 1 1 30 30 LYS N N 30 124.430 124.430 125.816 -1.386 18089
4123 1 10 . 1 1 30 30 LYS HA H 30 3.870 3.870 3.929 -0.059 18089
4124 1 10 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.663 0.967 18089
4125 1 10 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.432 -0.722 18089
4126 1 10 . 1 1 30 30 LYS H H 30 8.820 8.820 8.278 0.542 18089
4127 1 10 . 1 1 31 31 LYS N N 31 120.230 120.230 118.004 2.226 18089
4128 1 10 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.966 0.204 18089
4129 1 10 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.099 0.241 18089
4130 1 10 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.864 0.636 18089
4131 1 10 . 1 1 31 31 LYS H H 31 8.730 8.730 7.822 0.908 18089
4132 1 10 . 1 1 32 32 GLU N N 32 121.570 121.570 119.424 2.146 18089
4133 1 10 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.114 -0.014 18089
4134 1 10 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.546 -0.506 18089
4135 1 10 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.281 -0.611 18089
4136 1 10 . 1 1 32 32 GLU H H 32 7.780 7.780 7.828 -0.048 18089
4137 1 10 . 1 1 33 33 LEU N N 33 121.620 121.620 120.164 1.456 18089
4138 1 10 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.110 -0.110 18089
4139 1 10 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.366 -0.076 18089
4140 1 10 . 1 1 33 33 LEU CB C 33 40.500 40.500 42.115 -1.615 18089
4141 1 10 . 1 1 33 33 LEU H H 33 8.910 8.910 7.679 1.231 18089
4142 1 10 . 1 1 34 34 LYS N N 34 120.460 120.460 119.552 0.908 18089
4143 1 10 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.021 -0.401 18089
4144 1 10 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.650 1.290 18089
4145 1 10 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.259 -0.849 18089
4146 1 10 . 1 1 34 34 LYS H H 34 8.440 8.440 8.647 -0.207 18089
4147 1 10 . 1 1 35 35 GLU N N 35 117.190 117.190 118.329 -1.139 18089
4148 1 10 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.415 -0.345 18089
4149 1 10 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.860 0.410 18089
4150 1 10 . 1 1 35 35 GLU CB C 35 29.030 29.030 30.017 -0.987 18089
4151 1 10 . 1 1 35 35 GLU H H 35 7.200 7.200 7.720 -0.520 18089
4152 1 10 . 1 1 36 36 LEU N N 36 122.760 122.760 118.957 3.803 18089
4153 1 10 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.281 -0.521 18089
4154 1 10 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.912 1.088 18089
4155 1 10 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.794 0.486 18089
4156 1 10 . 1 1 36 36 LEU H H 36 8.310 8.310 7.656 0.654 18089
4157 1 10 . 1 1 37 37 LEU N N 37 120.220 120.220 118.882 1.338 18089
4158 1 10 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.344 -0.664 18089
4159 1 10 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.464 0.856 18089
4160 1 10 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.572 -1.052 18089
4161 1 10 . 1 1 37 37 LEU H H 37 8.820 8.820 8.441 0.379 18089
4162 1 10 . 1 1 38 38 GLN N N 38 113.470 113.470 116.928 -3.458 18089
4163 1 10 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.122 -0.362 18089
4164 1 10 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.161 0.839 18089
4165 1 10 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.637 0.223 18089
4166 1 10 . 1 1 38 38 GLN H H 38 8.110 8.110 8.031 0.079 18089
4167 1 10 . 1 1 39 39 THR N N 39 109.960 109.960 112.293 -2.333 18089
4168 1 10 . 1 1 39 39 THR HA H 39 4.290 4.290 4.302 -0.012 18089
4169 1 10 . 1 1 39 39 THR CA C 39 64.560 64.560 63.845 0.715 18089
4170 1 10 . 1 1 39 39 THR CB C 39 69.750 69.750 68.939 0.811 18089
4171 1 10 . 1 1 39 39 THR H H 39 7.720 7.720 7.519 0.201 18089
4172 1 10 . 1 1 40 40 GLU N N 40 118.420 118.420 119.040 -0.620 18089
4173 1 10 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.395 0.325 18089
4174 1 10 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.662 0.128 18089
4175 1 10 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.000 -1.800 18089
4176 1 10 . 1 1 40 40 GLU H H 40 9.020 9.020 7.878 1.142 18089
4177 1 10 . 1 1 41 41 LEU N N 41 119.120 119.120 120.847 -1.727 18089
4178 1 10 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.610 0.520 18089
4179 1 10 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.530 -0.370 18089
4180 1 10 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.646 -0.606 18089
4181 1 10 . 1 1 41 41 LEU H H 41 7.760 7.760 7.721 0.039 18089
4182 1 10 . 1 1 42 42 SER N N 42 112.960 112.960 116.553 -3.593 18089
4183 1 10 . 1 1 42 42 SER HA H 42 3.870 3.870 4.416 -0.546 18089
4184 1 10 . 1 1 42 42 SER CA C 42 61.630 61.630 57.980 3.650 18089
4185 1 10 . 1 1 42 42 SER CB C 42 62.790 62.790 61.684 1.105 18089
4186 1 10 . 1 1 42 42 SER H H 42 6.940 6.940 8.110 -1.170 18089
4187 1 10 . 1 1 43 43 GLY N N 43 114.580 114.580 111.627 2.953 18089
4188 1 10 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.923 0.857 18089
4189 1 10 . 1 1 43 43 GLY H H 43 9.250 9.250 8.781 0.469 18089
4190 1 10 . 1 1 44 44 PHE N N 44 124.560 124.560 119.497 5.063 18089
4191 1 10 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.441 0.149 18089
4192 1 10 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.595 -2.115 18089
4193 1 10 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.389 -2.439 18089
4194 1 10 . 1 1 44 44 PHE H H 44 8.320 8.320 7.584 0.736 18089
4195 1 10 . 1 1 45 45 LEU N N 45 116.140 116.140 120.312 -4.172 18089
4196 1 10 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.048 0.122 18089
4197 1 10 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.932 -0.562 18089
4198 1 10 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.740 0.510 18089
4199 1 10 . 1 1 45 45 LEU H H 45 8.650 8.650 8.155 0.495 18089
4200 1 10 . 1 1 46 46 ASP N N 46 119.960 119.960 115.855 4.105 18089
4201 1 10 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.536 0.174 18089
4202 1 10 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.280 0.360 18089
4203 1 10 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.722 0.798 18089
4204 1 10 . 1 1 46 46 ASP H H 46 7.730 7.730 7.724 0.006 18089
4205 1 10 . 1 1 47 47 ALA N N 47 124.260 124.260 121.852 2.408 18089
4206 1 10 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.627 -0.007 18089
4207 1 10 . 1 1 47 47 ALA CA C 47 50.510 50.510 51.726 -1.216 18089
4208 1 10 . 1 1 47 47 ALA CB C 47 18.850 18.850 19.902 -1.052 18089
4209 1 10 . 1 1 47 47 ALA H H 47 7.740 7.740 7.265 0.475 18089
4210 1 10 . 1 1 48 48 GLN N N 48 117.380 117.380 123.553 -6.173 18089
4211 1 10 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.391 -0.301 18089
4212 1 10 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.314 2.056 18089
4213 1 10 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.662 0.808 18089
4214 1 10 . 1 1 48 48 GLN H H 48 7.650 7.650 8.370 -0.720 18089
4215 1 10 . 1 1 49 49 LYS N N 49 121.400 121.400 123.184 -1.784 18089
4216 1 10 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.190 -0.060 18089
4217 1 10 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.623 -0.383 18089
4218 1 10 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.768 -1.848 18089
4219 1 10 . 1 1 49 49 LYS H H 49 8.000 8.000 8.558 -0.558 18089
4220 1 10 . 1 1 50 50 ASP N N 50 119.180 119.180 122.979 -3.799 18089
4221 1 10 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.829 -0.169 18089
4222 1 10 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.752 -2.152 18089
4223 1 10 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.536 0.324 18089
4224 1 10 . 1 1 50 50 ASP H H 50 7.500 7.500 7.787 -0.287 18089
4225 1 10 . 1 1 51 51 VAL N N 51 122.100 122.100 122.996 -0.896 18089
4226 1 10 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.623 0.237 18089
4227 1 10 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.702 -1.952 18089
4228 1 10 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.420 0.550 18089
4229 1 10 . 1 1 51 51 VAL H H 51 7.670 7.670 8.613 -0.943 18089
4230 1 10 . 1 1 52 52 ASP N N 52 119.490 119.490 119.917 -0.427 18089
4231 1 10 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.358 -0.008 18089
4232 1 10 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.639 -0.479 18089
4233 1 10 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.764 -0.164 18089
4234 1 10 . 1 1 52 52 ASP H H 52 8.130 8.130 8.451 -0.321 18089
4235 1 10 . 1 1 53 53 ALA N N 53 122.220 122.220 121.925 0.295 18089
4236 1 10 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.265 -0.245 18089
4237 1 10 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.928 -0.368 18089
4238 1 10 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.813 -0.073 18089
4239 1 10 . 1 1 53 53 ALA H H 53 7.540 7.540 7.760 -0.220 18089
4240 1 10 . 1 1 54 54 VAL N N 54 118.080 118.080 119.183 -1.103 18089
4241 1 10 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.570 -0.220 18089
4242 1 10 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.496 0.084 18089
4243 1 10 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.646 1.074 18089
4244 1 10 . 1 1 54 54 VAL H H 54 7.310 7.310 8.320 -1.010 18089
4245 1 10 . 1 1 55 55 ASP N N 55 119.630 119.630 119.068 0.562 18089
4246 1 10 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.363 -0.083 18089
4247 1 10 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.892 -0.512 18089
4248 1 10 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.833 0.077 18089
4249 1 10 . 1 1 55 55 ASP H H 55 8.530 8.530 8.725 -0.195 18089
4250 1 10 . 1 1 56 56 LYS N N 56 118.060 118.060 119.772 -1.712 18089
4251 1 10 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.135 -0.205 18089
4252 1 10 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.150 0.670 18089
4253 1 10 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.566 -0.066 18089
4254 1 10 . 1 1 56 56 LYS H H 56 7.950 7.950 7.213 0.737 18089
4255 1 10 . 1 1 57 57 VAL N N 57 119.310 119.310 121.984 -2.674 18089
4256 1 10 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.828 -0.108 18089
4257 1 10 . 1 1 57 57 VAL CA C 57 66.060 66.060 65.070 0.990 18089
4258 1 10 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.857 0.233 18089
4259 1 10 . 1 1 57 57 VAL H H 57 7.280 7.280 8.059 -0.779 18089
4260 1 10 . 1 1 58 58 MET N N 58 115.980 115.980 119.171 -3.191 18089
4261 1 10 . 1 1 58 58 MET HA H 58 4.090 4.090 4.086 0.004 18089
4262 1 10 . 1 1 58 58 MET CA C 58 57.370 57.370 58.955 -1.585 18089
4263 1 10 . 1 1 58 58 MET CB C 58 31.310 31.310 31.932 -0.622 18089
4264 1 10 . 1 1 58 58 MET H H 58 8.360 8.360 8.433 -0.073 18089
4265 1 10 . 1 1 59 59 LYS N N 59 118.900 118.900 117.183 1.717 18089
4266 1 10 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.068 0.002 18089
4267 1 10 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.004 0.266 18089
4268 1 10 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.857 0.653 18089
4269 1 10 . 1 1 59 59 LYS H H 59 8.620 8.620 7.608 1.012 18089
4270 1 10 . 1 1 60 60 GLU N N 60 119.830 119.830 120.826 -0.996 18089
4271 1 10 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.274 -0.204 18089
4272 1 10 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.849 0.421 18089
4273 1 10 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.115 -1.455 18089
4274 1 10 . 1 1 60 60 GLU H H 60 7.430 7.430 7.502 -0.072 18089
4275 1 10 . 1 1 61 61 LEU N N 61 116.920 116.920 120.845 -3.925 18089
4276 1 10 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.111 -0.161 18089
4277 1 10 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.603 -0.333 18089
4278 1 10 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.455 -0.905 18089
4279 1 10 . 1 1 61 61 LEU H H 61 7.580 7.580 8.487 -0.907 18089
4280 1 10 . 1 1 62 62 ASP N N 62 116.060 116.060 118.033 -1.973 18089
4281 1 10 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.373 0.087 18089
4282 1 10 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.118 -0.958 18089
4283 1 10 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.023 0.617 18089
4284 1 10 . 1 1 62 62 ASP H H 62 7.610 7.610 7.763 -0.153 18089
4285 1 10 . 1 1 63 63 GLU N N 63 118.870 118.870 114.800 4.070 18089
4286 1 10 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.347 -0.247 18089
4287 1 10 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.505 0.535 18089
4288 1 10 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.931 0.119 18089
4289 1 10 . 1 1 63 63 GLU H H 63 8.120 8.120 7.615 0.505 18089
4290 1 10 . 1 1 64 64 ASN N N 64 117.720 117.720 119.019 -1.299 18089
4291 1 10 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.817 0.343 18089
4292 1 10 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.580 -1.650 18089
4293 1 10 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.541 0.109 18089
4294 1 10 . 1 1 64 64 ASN H H 64 7.720 7.720 8.344 -0.624 18089
4295 1 10 . 1 1 65 65 GLY N N 65 107.110 107.110 109.300 -2.190 18089
4296 1 10 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.664 1.246 18089
4297 1 10 . 1 1 65 65 GLY H H 65 7.750 7.750 8.008 -0.258 18089
4298 1 10 . 1 1 66 66 ASP N N 66 115.600 115.600 121.589 -5.989 18089
4299 1 10 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.759 0.081 18089
4300 1 10 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.694 0.356 18089
4301 1 10 . 1 1 66 66 ASP CB C 66 40.600 40.600 41.550 -0.950 18089
4302 1 10 . 1 1 66 66 ASP H H 66 8.320 8.320 7.598 0.722 18089
4303 1 10 . 1 1 67 67 GLY N N 67 109.220 109.220 108.543 0.677 18089
4304 1 10 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.710 0.100 18089
4305 1 10 . 1 1 67 67 GLY H H 67 8.260 8.260 7.740 0.520 18089
4306 1 10 . 1 1 68 68 GLU N N 68 117.450 117.450 119.992 -2.542 18089
4307 1 10 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.133 0.117 18089
4308 1 10 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.454 -0.484 18089
4309 1 10 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.220 1.700 18089
4310 1 10 . 1 1 68 68 GLU H H 68 8.500 8.500 8.387 0.113 18089
4311 1 10 . 1 1 69 69 VAL N N 69 115.390 115.390 115.218 0.172 18089
4312 1 10 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.565 0.405 18089
4313 1 10 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.766 -0.636 18089
4314 1 10 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.164 -0.074 18089
4315 1 10 . 1 1 69 69 VAL H H 69 9.190 9.190 9.083 0.107 18089
4316 1 10 . 1 1 70 70 ASP N N 70 120.970 120.970 117.489 3.481 18089
4317 1 10 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.083 0.487 18089
4318 1 10 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.694 -1.654 18089
4319 1 10 . 1 1 70 70 ASP CB C 70 42.740 42.740 44.016 -1.276 18089
4320 1 10 . 1 1 70 70 ASP H H 70 8.300 8.300 7.940 0.360 18089
4321 1 10 . 1 1 71 71 PHE N N 71 119.360 119.360 119.981 -0.621 18089
4322 1 10 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.103 0.377 18089
4323 1 10 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.159 -0.659 18089
4324 1 10 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.817 0.783 18089
4325 1 10 . 1 1 71 71 PHE H H 71 9.520 9.520 8.999 0.521 18089
4326 1 10 . 1 1 72 72 GLN N N 72 116.880 116.880 118.761 -1.881 18089
4327 1 10 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.867 -0.447 18089
4328 1 10 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.995 1.785 18089
4329 1 10 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.313 0.667 18089
4330 1 10 . 1 1 72 72 GLN H H 72 8.180 8.180 8.321 -0.141 18089
4331 1 10 . 1 1 73 73 GLU N N 73 119.720 119.720 119.663 0.057 18089
4332 1 10 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.026 -0.036 18089
4333 1 10 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.858 0.332 18089
4334 1 10 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.454 1.016 18089
4335 1 10 . 1 1 73 73 GLU H H 73 8.250 8.250 8.415 -0.165 18089
4336 1 10 . 1 1 74 74 TYR N N 74 122.440 122.440 120.784 1.656 18089
4337 1 10 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.168 0.172 18089
4338 1 10 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.951 -0.681 18089
4339 1 10 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.221 -1.401 18089
4340 1 10 . 1 1 74 74 TYR H H 74 8.250 8.250 8.005 0.245 18089
4341 1 10 . 1 1 75 75 VAL N N 75 120.220 120.220 117.609 2.611 18089
4342 1 10 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.379 -0.719 18089
4343 1 10 . 1 1 75 75 VAL CA C 75 66.980 66.980 66.438 0.542 18089
4344 1 10 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.271 -0.791 18089
4345 1 10 . 1 1 75 75 VAL H H 75 8.010 8.010 7.519 0.491 18089
4346 1 10 . 1 1 76 76 VAL N N 76 119.350 119.350 120.388 -1.038 18089
4347 1 10 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.674 -0.324 18089
4348 1 10 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.448 1.162 18089
4349 1 10 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.761 -0.051 18089
4350 1 10 . 1 1 76 76 VAL H H 76 7.540 7.540 8.067 -0.527 18089
4351 1 10 . 1 1 77 77 LEU N N 77 121.420 121.420 120.735 0.685 18089
4352 1 10 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.941 0.239 18089
4353 1 10 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.232 0.028 18089
4354 1 10 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.567 0.383 18089
4355 1 10 . 1 1 77 77 LEU H H 77 7.760 7.760 8.097 -0.337 18089
4356 1 10 . 1 1 78 78 VAL N N 78 119.530 119.530 114.234 5.296 18089
4357 1 10 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.768 -0.328 18089
4358 1 10 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.075 2.155 18089
4359 1 10 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.732 0.678 18089
4360 1 10 . 1 1 78 78 VAL H H 78 8.370 8.370 7.159 1.211 18089
4361 1 10 . 1 1 79 79 ALA N N 79 125.030 125.030 122.671 2.359 18089
4362 1 10 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.137 -0.107 18089
4363 1 10 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.000 2.070 18089
4364 1 10 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.483 -0.463 18089
4365 1 10 . 1 1 79 79 ALA H H 79 9.070 9.070 7.154 1.916 18089
4366 1 10 . 1 1 80 80 ALA N N 80 122.060 122.060 121.452 0.608 18089
4367 1 10 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.886 0.104 18089
4368 1 10 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.933 0.447 18089
4369 1 10 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.156 -0.596 18089
4370 1 10 . 1 1 80 80 ALA H H 80 8.350 8.350 8.475 -0.125 18089
4371 1 10 . 1 1 81 81 LEU N N 81 117.650 117.650 116.157 1.493 18089
4372 1 10 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.790 0.260 18089
4373 1 10 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.372 0.318 18089
4374 1 10 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.139 0.691 18089
4375 1 10 . 1 1 81 81 LEU H H 81 8.060 8.060 7.397 0.663 18089
4376 1 10 . 1 1 82 82 THR N N 82 117.560 117.560 114.714 2.846 18089
4377 1 10 . 1 1 82 82 THR HA H 82 3.680 3.680 2.878 0.802 18089
4378 1 10 . 1 1 82 82 THR CA C 82 68.820 68.820 66.032 2.788 18089
4379 1 10 . 1 1 82 82 THR CB C 82 67.570 67.570 67.980 -0.409 18089
4380 1 10 . 1 1 82 82 THR H H 82 8.320 8.320 6.789 1.531 18089
4381 1 10 . 1 1 83 83 VAL N N 83 121.390 121.390 118.427 2.963 18089
4382 1 10 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.760 -0.670 18089
4383 1 10 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.607 -0.487 18089
4384 1 10 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.105 0.775 18089
4385 1 10 . 1 1 83 83 VAL H H 83 8.000 8.000 7.553 0.447 18089
4386 1 10 . 1 1 84 84 ALA N N 84 116.970 116.970 123.260 -6.290 18089
4387 1 10 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.004 0.576 18089
4388 1 10 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.015 -1.375 18089
4389 1 10 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.008 2.812 18089
4390 1 10 . 1 1 84 84 ALA H H 84 7.100 7.100 7.297 -0.197 18089
4391 1 10 . 1 1 85 85 CYS N N 85 112.170 112.170 114.700 -2.530 18089
4392 1 10 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.453 0.087 18089
4393 1 10 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.301 1.029 18089
4394 1 10 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.061 4.329 18089
4395 1 10 . 1 1 85 85 CYS H H 85 7.360 7.360 7.751 -0.391 18089
4396 1 10 . 1 1 86 86 ASN N N 86 118.980 118.980 120.443 -1.463 18089
4397 1 10 . 1 1 86 86 ASN HA H 86 4.480 4.480 5.027 -0.547 18089
4398 1 10 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.915 -0.165 18089
4399 1 10 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.031 3.079 18089
4400 1 10 . 1 1 86 86 ASN H H 86 8.440 8.440 8.158 0.282 18089
4401 1 10 . 1 1 87 87 ASN N N 87 124.820 124.820 120.348 4.472 18089
4402 1 10 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.239 0.111 18089
4403 1 10 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.412 1.078 18089
4404 1 10 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.580 0.750 18089
4405 1 10 . 1 1 87 87 ASN H H 87 9.210 9.210 8.012 1.198 18089
4406 1 10 . 1 1 88 88 PHE N N 88 120.560 120.560 120.741 -0.181 18089
4407 1 10 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.199 0.911 18089
4408 1 10 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.349 0.131 18089
4409 1 10 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.619 0.841 18089
4410 1 10 . 1 1 88 88 PHE H H 88 8.690 8.690 7.258 1.432 18089
4411 1 10 . 1 1 89 89 PHE N N 89 112.650 112.650 116.915 -4.265 18089
4412 1 10 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.293 -0.533 18089
4413 1 10 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.722 0.278 18089
4414 1 10 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.193 0.827 18089
4415 1 10 . 1 1 89 89 PHE H H 89 7.440 7.440 7.952 -0.512 18089
4416 1 10 . 1 1 90 90 TRP N N 90 118.650 118.650 117.676 0.974 18089
4417 1 10 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.515 0.075 18089
4418 1 10 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.124 1.176 18089
4419 1 10 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.230 4.220 18089
4420 1 10 . 1 1 90 90 TRP H H 90 7.360 7.360 7.304 0.056 18089
4421 1 10 . 1 1 91 91 GLU N N 91 121.410 121.410 120.668 0.742 18089
4422 1 10 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.232 0.118 18089
4423 1 10 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.611 -0.121 18089
4424 1 10 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.072 0.398 18089
4425 1 10 . 1 1 91 91 GLU H H 91 7.820 7.820 8.046 -0.226 18089
4426 1 10 . 1 1 92 92 ASN N N 92 120.680 120.680 121.159 -0.479 18089
4427 1 10 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.702 0.028 18089
4428 1 10 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.857 -1.037 18089
4429 1 10 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.911 0.099 18089
4430 1 10 . 1 1 92 92 ASN H H 92 8.590 8.590 8.662 -0.072 18089
4431 1 11 . 1 1 2 2 SER N N 2 118.700 118.700 117.219 1.481 18089
4432 1 11 . 1 1 2 2 SER HA H 2 4.680 4.680 4.547 0.133 18089
4433 1 11 . 1 1 2 2 SER CA C 2 57.280 57.280 57.918 -0.638 18089
4434 1 11 . 1 1 2 2 SER CB C 2 65.190 65.190 64.277 0.913 18089
4435 1 11 . 1 1 2 2 SER H H 2 9.250 9.250 8.494 0.756 18089
4436 1 11 . 1 1 3 3 GLU N N 3 122.910 122.910 122.613 0.297 18089
4437 1 11 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.081 0.029 18089
4438 1 11 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.195 1.285 18089
4439 1 11 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.810 -0.800 18089
4440 1 11 . 1 1 3 3 GLU H H 3 9.250 9.250 8.747 0.503 18089
4441 1 11 . 1 1 4 4 LEU N N 4 121.150 121.150 117.553 3.597 18089
4442 1 11 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.134 -0.084 18089
4443 1 11 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.562 0.128 18089
4444 1 11 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.027 1.123 18089
4445 1 11 . 1 1 4 4 LEU H H 4 8.940 8.940 7.886 1.054 18089
4446 1 11 . 1 1 5 5 GLU N N 5 118.630 118.630 119.550 -0.920 18089
4447 1 11 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.004 -0.764 18089
4448 1 11 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.583 0.127 18089
4449 1 11 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.276 -0.306 18089
4450 1 11 . 1 1 5 5 GLU H H 5 7.840 7.840 8.652 -0.812 18089
4451 1 11 . 1 1 6 6 THR N N 6 116.040 116.040 115.628 0.412 18089
4452 1 11 . 1 1 6 6 THR HA H 6 4.000 4.000 4.029 -0.029 18089
4453 1 11 . 1 1 6 6 THR CA C 6 66.620 66.620 65.647 0.973 18089
4454 1 11 . 1 1 6 6 THR CB C 6 68.650 68.650 68.207 0.443 18089
4455 1 11 . 1 1 6 6 THR H H 6 8.430 8.430 7.746 0.684 18089
4456 1 11 . 1 1 7 7 ALA N N 7 125.730 125.730 125.260 0.470 18089
4457 1 11 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.112 0.158 18089
4458 1 11 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.889 0.701 18089
4459 1 11 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.460 -0.310 18089
4460 1 11 . 1 1 7 7 ALA H H 7 8.290 8.290 7.686 0.604 18089
4461 1 11 . 1 1 8 8 MET N N 8 115.120 115.120 116.316 -1.196 18089
4462 1 11 . 1 1 8 8 MET HA H 8 4.870 4.870 4.141 0.729 18089
4463 1 11 . 1 1 8 8 MET CA C 8 56.540 56.540 58.851 -2.311 18089
4464 1 11 . 1 1 8 8 MET CB C 8 28.950 28.950 31.933 -2.983 18089
4465 1 11 . 1 1 8 8 MET H H 8 8.100 8.100 7.639 0.461 18089
4466 1 11 . 1 1 9 9 GLU N N 9 120.560 120.560 118.564 1.996 18089
4467 1 11 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.002 0.108 18089
4468 1 11 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.502 0.978 18089
4469 1 11 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.874 -0.034 18089
4470 1 11 . 1 1 9 9 GLU H H 9 8.710 8.710 8.063 0.647 18089
4471 1 11 . 1 1 10 10 THR N N 10 118.800 118.800 113.555 5.245 18089
4472 1 11 . 1 1 10 10 THR HA H 10 4.120 4.120 4.149 -0.029 18089
4473 1 11 . 1 1 10 10 THR CA C 10 67.230 67.230 65.307 1.923 18089
4474 1 11 . 1 1 10 10 THR CB C 10 67.570 67.570 68.561 -0.991 18089
4475 1 11 . 1 1 10 10 THR H H 10 8.470 8.470 7.896 0.574 18089
4476 1 11 . 1 1 11 11 LEU N N 11 121.860 121.860 121.429 0.431 18089
4477 1 11 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.289 -0.179 18089
4478 1 11 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.882 2.598 18089
4479 1 11 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.626 1.314 18089
4480 1 11 . 1 1 11 11 LEU H H 11 8.340 8.340 7.731 0.609 18089
4481 1 11 . 1 1 12 12 ILE N N 12 121.270 121.270 117.239 4.031 18089
4482 1 11 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.106 -0.556 18089
4483 1 11 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.803 1.357 18089
4484 1 11 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.929 0.471 18089
4485 1 11 . 1 1 12 12 ILE H H 12 8.480 8.480 7.820 0.660 18089
4486 1 11 . 1 1 13 13 ASN N N 13 120.510 120.510 120.544 -0.034 18089
4487 1 11 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.524 -0.174 18089
4488 1 11 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.400 0.090 18089
4489 1 11 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.873 0.067 18089
4490 1 11 . 1 1 13 13 ASN H H 13 8.690 8.690 8.575 0.115 18089
4491 1 11 . 1 1 14 14 VAL N N 14 121.990 121.990 118.920 3.070 18089
4492 1 11 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.953 -0.083 18089
4493 1 11 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.669 1.881 18089
4494 1 11 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.380 -0.670 18089
4495 1 11 . 1 1 14 14 VAL H H 14 8.880 8.880 7.434 1.446 18089
4496 1 11 . 1 1 15 15 PHE N N 15 120.470 120.470 119.566 0.904 18089
4497 1 11 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.726 -0.156 18089
4498 1 11 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.998 1.482 18089
4499 1 11 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.077 0.423 18089
4500 1 11 . 1 1 15 15 PHE H H 15 7.480 7.480 7.738 -0.258 18089
4501 1 11 . 1 1 16 16 HIS N N 16 118.280 118.280 116.911 1.369 18089
4502 1 11 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.354 0.896 18089
4503 1 11 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.284 -3.314 18089
4504 1 11 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.706 -0.576 18089
4505 1 11 . 1 1 16 16 HIS H H 16 9.270 9.270 8.368 0.902 18089
4506 1 11 . 1 1 17 17 ALA N N 17 121.080 121.080 122.921 -1.841 18089
4507 1 11 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.960 -0.120 18089
4508 1 11 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.110 0.330 18089
4509 1 11 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.778 -1.178 18089
4510 1 11 . 1 1 17 17 ALA H H 17 8.160 8.160 7.537 0.623 18089
4511 1 11 . 1 1 18 18 HIS N N 18 112.570 112.570 113.739 -1.169 18089
4512 1 11 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.639 -0.289 18089
4513 1 11 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.246 1.244 18089
4514 1 11 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.094 0.896 18089
4515 1 11 . 1 1 18 18 HIS H H 18 7.410 7.410 7.718 -0.308 18089
4516 1 11 . 1 1 19 19 SER HA H 19 4.110 4.110 4.190 -0.080 18089
4517 1 11 . 1 1 19 19 SER CA C 19 60.480 60.480 58.237 2.243 18089
4518 1 11 . 1 1 19 19 SER CB C 19 61.800 61.800 64.563 -2.763 18089
4519 1 11 . 1 1 20 20 GLY N N 20 106.720 106.720 111.115 -4.395 18089
4520 1 11 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.593 -0.353 18089
4521 1 11 . 1 1 20 20 GLY H H 20 8.260 8.260 8.437 -0.177 18089
4522 1 11 . 1 1 21 21 LYS N N 21 120.240 120.240 119.013 1.227 18089
4523 1 11 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.301 -0.311 18089
4524 1 11 . 1 1 21 21 LYS CA C 21 58.460 58.460 57.020 1.440 18089
4525 1 11 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.346 0.154 18089
4526 1 11 . 1 1 21 21 LYS H H 21 7.640 7.640 8.245 -0.605 18089
4527 1 11 . 1 1 22 22 GLU N N 22 117.060 117.060 119.841 -2.781 18089
4528 1 11 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.306 0.124 18089
4529 1 11 . 1 1 22 22 GLU CA C 22 55.380 55.380 55.737 -0.357 18089
4530 1 11 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.714 1.326 18089
4531 1 11 . 1 1 22 22 GLU H H 22 7.840 7.840 8.380 -0.540 18089
4532 1 11 . 1 1 23 23 GLY N N 23 107.770 107.770 105.252 2.518 18089
4533 1 11 . 1 1 23 23 GLY CA C 23 45.830 45.830 45.089 0.741 18089
4534 1 11 . 1 1 23 23 GLY H H 23 8.100 8.100 8.407 -0.307 18089
4535 1 11 . 1 1 24 24 ASP N N 24 122.990 122.990 118.448 4.542 18089
4536 1 11 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.883 -0.303 18089
4537 1 11 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.518 1.092 18089
4538 1 11 . 1 1 24 24 ASP CB C 24 42.360 42.360 44.027 -1.667 18089
4539 1 11 . 1 1 24 24 ASP H H 24 8.190 8.190 7.692 0.498 18089
4540 1 11 . 1 1 25 25 LYS N N 25 124.920 124.920 118.694 6.226 18089
4541 1 11 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.226 -0.136 18089
4542 1 11 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.050 0.320 18089
4543 1 11 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.912 -0.902 18089
4544 1 11 . 1 1 25 25 LYS H H 25 8.440 8.440 8.417 0.023 18089
4545 1 11 . 1 1 26 26 TYR N N 26 117.220 117.220 116.805 0.415 18089
4546 1 11 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.608 0.512 18089
4547 1 11 . 1 1 26 26 TYR CA C 26 57.380 57.380 56.933 0.447 18089
4548 1 11 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.404 0.296 18089
4549 1 11 . 1 1 26 26 TYR H H 26 8.490 8.490 7.913 0.577 18089
4550 1 11 . 1 1 27 27 LYS N N 27 118.300 118.300 117.875 0.425 18089
4551 1 11 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.561 -0.071 18089
4552 1 11 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.374 -0.554 18089
4553 1 11 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.056 0.404 18089
4554 1 11 . 1 1 27 27 LYS H H 27 7.870 7.870 7.337 0.533 18089
4555 1 11 . 1 1 28 28 LEU N N 28 121.380 121.380 120.137 1.243 18089
4556 1 11 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.692 0.038 18089
4557 1 11 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.498 -1.678 18089
4558 1 11 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.170 0.200 18089
4559 1 11 . 1 1 28 28 LEU H H 28 8.830 8.830 8.971 -0.141 18089
4560 1 11 . 1 1 29 29 SER N N 29 120.620 120.620 115.888 4.732 18089
4561 1 11 . 1 1 29 29 SER HA H 29 5.030 5.030 5.152 -0.122 18089
4562 1 11 . 1 1 29 29 SER CA C 29 57.890 57.890 57.806 0.084 18089
4563 1 11 . 1 1 29 29 SER CB C 29 64.270 64.270 64.721 -0.451 18089
4564 1 11 . 1 1 29 29 SER H H 29 8.940 8.940 8.553 0.387 18089
4565 1 11 . 1 1 30 30 LYS N N 30 124.430 124.430 122.242 2.188 18089
4566 1 11 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.158 -0.288 18089
4567 1 11 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.719 1.911 18089
4568 1 11 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.784 -1.074 18089
4569 1 11 . 1 1 30 30 LYS H H 30 8.820 8.820 8.251 0.569 18089
4570 1 11 . 1 1 31 31 LYS N N 31 120.230 120.230 119.308 0.922 18089
4571 1 11 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.965 0.205 18089
4572 1 11 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.356 -0.016 18089
4573 1 11 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.933 0.567 18089
4574 1 11 . 1 1 31 31 LYS H H 31 8.730 8.730 7.486 1.244 18089
4575 1 11 . 1 1 32 32 GLU N N 32 121.570 121.570 120.135 1.435 18089
4576 1 11 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.057 0.043 18089
4577 1 11 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.249 -1.209 18089
4578 1 11 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.221 -0.551 18089
4579 1 11 . 1 1 32 32 GLU H H 32 7.780 7.780 7.936 -0.156 18089
4580 1 11 . 1 1 33 33 LEU N N 33 121.620 121.620 119.128 2.492 18089
4581 1 11 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.954 0.046 18089
4582 1 11 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.673 -0.383 18089
4583 1 11 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.884 -1.384 18089
4584 1 11 . 1 1 33 33 LEU H H 33 8.910 8.910 7.518 1.392 18089
4585 1 11 . 1 1 34 34 LYS N N 34 120.460 120.460 119.546 0.914 18089
4586 1 11 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.005 -0.385 18089
4587 1 11 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.612 1.328 18089
4588 1 11 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.273 -0.863 18089
4589 1 11 . 1 1 34 34 LYS H H 34 8.440 8.440 8.166 0.274 18089
4590 1 11 . 1 1 35 35 GLU N N 35 117.190 117.190 119.619 -2.429 18089
4591 1 11 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.468 -0.398 18089
4592 1 11 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.833 0.437 18089
4593 1 11 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.848 -0.817 18089
4594 1 11 . 1 1 35 35 GLU H H 35 7.200 7.200 8.104 -0.904 18089
4595 1 11 . 1 1 36 36 LEU N N 36 122.760 122.760 118.483 4.277 18089
4596 1 11 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.238 -0.478 18089
4597 1 11 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.723 1.277 18089
4598 1 11 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.090 1.190 18089
4599 1 11 . 1 1 36 36 LEU H H 36 8.310 8.310 7.674 0.636 18089
4600 1 11 . 1 1 37 37 LEU N N 37 120.220 120.220 118.824 1.396 18089
4601 1 11 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.277 -0.597 18089
4602 1 11 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.481 0.839 18089
4603 1 11 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.504 -0.984 18089
4604 1 11 . 1 1 37 37 LEU H H 37 8.820 8.820 8.323 0.497 18089
4605 1 11 . 1 1 38 38 GLN N N 38 113.470 113.470 116.722 -3.252 18089
4606 1 11 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.180 -0.420 18089
4607 1 11 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.127 0.873 18089
4608 1 11 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.431 0.429 18089
4609 1 11 . 1 1 38 38 GLN H H 38 8.110 8.110 7.939 0.171 18089
4610 1 11 . 1 1 39 39 THR N N 39 109.960 109.960 113.152 -3.192 18089
4611 1 11 . 1 1 39 39 THR HA H 39 4.290 4.290 4.352 -0.062 18089
4612 1 11 . 1 1 39 39 THR CA C 39 64.560 64.560 63.759 0.801 18089
4613 1 11 . 1 1 39 39 THR CB C 39 69.750 69.750 69.286 0.464 18089
4614 1 11 . 1 1 39 39 THR H H 39 7.720 7.720 7.611 0.109 18089
4615 1 11 . 1 1 40 40 GLU N N 40 118.420 118.420 119.072 -0.652 18089
4616 1 11 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.384 0.336 18089
4617 1 11 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.629 0.161 18089
4618 1 11 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.947 -1.747 18089
4619 1 11 . 1 1 40 40 GLU H H 40 9.020 9.020 7.879 1.141 18089
4620 1 11 . 1 1 41 41 LEU N N 41 119.120 119.120 120.610 -1.490 18089
4621 1 11 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.637 0.493 18089
4622 1 11 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.430 -0.270 18089
4623 1 11 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.677 -0.637 18089
4624 1 11 . 1 1 41 41 LEU H H 41 7.760 7.760 7.684 0.076 18089
4625 1 11 . 1 1 42 42 SER N N 42 112.960 112.960 115.774 -2.814 18089
4626 1 11 . 1 1 42 42 SER HA H 42 3.870 3.870 4.402 -0.532 18089
4627 1 11 . 1 1 42 42 SER CA C 42 61.630 61.630 57.538 4.092 18089
4628 1 11 . 1 1 42 42 SER CB C 42 62.790 62.790 62.176 0.614 18089
4629 1 11 . 1 1 42 42 SER H H 42 6.940 6.940 8.113 -1.173 18089
4630 1 11 . 1 1 43 43 GLY N N 43 114.580 114.580 113.364 1.216 18089
4631 1 11 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.609 1.171 18089
4632 1 11 . 1 1 43 43 GLY H H 43 9.250 9.250 8.621 0.629 18089
4633 1 11 . 1 1 44 44 PHE N N 44 124.560 124.560 118.327 6.233 18089
4634 1 11 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.332 0.258 18089
4635 1 11 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.194 -1.714 18089
4636 1 11 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.835 -2.885 18089
4637 1 11 . 1 1 44 44 PHE H H 44 8.320 8.320 7.567 0.753 18089
4638 1 11 . 1 1 45 45 LEU N N 45 116.140 116.140 119.058 -2.918 18089
4639 1 11 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.031 0.139 18089
4640 1 11 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.981 -0.611 18089
4641 1 11 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.812 0.438 18089
4642 1 11 . 1 1 45 45 LEU H H 45 8.650 8.650 7.718 0.932 18089
4643 1 11 . 1 1 46 46 ASP N N 46 119.960 119.960 117.401 2.559 18089
4644 1 11 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.544 0.166 18089
4645 1 11 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.190 0.450 18089
4646 1 11 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.043 0.477 18089
4647 1 11 . 1 1 46 46 ASP H H 46 7.730 7.730 8.042 -0.312 18089
4648 1 11 . 1 1 47 47 ALA N N 47 124.260 124.260 120.062 4.198 18089
4649 1 11 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.577 0.043 18089
4650 1 11 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.251 -1.741 18089
4651 1 11 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.561 -1.711 18089
4652 1 11 . 1 1 47 47 ALA H H 47 7.740 7.740 7.459 0.281 18089
4653 1 11 . 1 1 48 48 GLN N N 48 117.380 117.380 118.155 -0.775 18089
4654 1 11 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.013 0.077 18089
4655 1 11 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.547 0.823 18089
4656 1 11 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.865 2.605 18089
4657 1 11 . 1 1 48 48 GLN H H 48 7.650 7.650 8.617 -0.967 18089
4658 1 11 . 1 1 49 49 LYS N N 49 121.400 121.400 120.725 0.675 18089
4659 1 11 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.376 -0.246 18089
4660 1 11 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.446 -0.206 18089
4661 1 11 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.078 -2.158 18089
4662 1 11 . 1 1 49 49 LYS H H 49 8.000 8.000 8.247 -0.247 18089
4663 1 11 . 1 1 50 50 ASP N N 50 119.180 119.180 122.751 -3.571 18089
4664 1 11 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.932 -0.272 18089
4665 1 11 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.961 -2.361 18089
4666 1 11 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.753 0.107 18089
4667 1 11 . 1 1 50 50 ASP H H 50 7.500 7.500 7.867 -0.367 18089
4668 1 11 . 1 1 51 51 VAL N N 51 122.100 122.100 125.350 -3.250 18089
4669 1 11 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.675 0.185 18089
4670 1 11 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.565 -1.815 18089
4671 1 11 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.821 0.149 18089
4672 1 11 . 1 1 51 51 VAL H H 51 7.670 7.670 8.378 -0.708 18089
4673 1 11 . 1 1 52 52 ASP N N 52 119.490 119.490 119.225 0.265 18089
4674 1 11 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.300 0.050 18089
4675 1 11 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.606 -0.446 18089
4676 1 11 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.681 -0.081 18089
4677 1 11 . 1 1 52 52 ASP H H 52 8.130 8.130 8.569 -0.439 18089
4678 1 11 . 1 1 53 53 ALA N N 53 122.220 122.220 121.635 0.585 18089
4679 1 11 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.280 -0.260 18089
4680 1 11 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.901 -0.341 18089
4681 1 11 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.872 -0.132 18089
4682 1 11 . 1 1 53 53 ALA H H 53 7.540 7.540 7.659 -0.119 18089
4683 1 11 . 1 1 54 54 VAL N N 54 118.080 118.080 118.539 -0.459 18089
4684 1 11 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.611 -0.261 18089
4685 1 11 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.859 -0.279 18089
4686 1 11 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.334 0.386 18089
4687 1 11 . 1 1 54 54 VAL H H 54 7.310 7.310 8.290 -0.980 18089
4688 1 11 . 1 1 55 55 ASP N N 55 119.630 119.630 119.173 0.457 18089
4689 1 11 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.497 -0.217 18089
4690 1 11 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.105 0.275 18089
4691 1 11 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.853 0.057 18089
4692 1 11 . 1 1 55 55 ASP H H 55 8.530 8.530 8.731 -0.201 18089
4693 1 11 . 1 1 56 56 LYS N N 56 118.060 118.060 119.839 -1.779 18089
4694 1 11 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.154 -0.224 18089
4695 1 11 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.072 0.748 18089
4696 1 11 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.354 0.146 18089
4697 1 11 . 1 1 56 56 LYS H H 56 7.950 7.950 7.402 0.548 18089
4698 1 11 . 1 1 57 57 VAL N N 57 119.310 119.310 120.993 -1.683 18089
4699 1 11 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.923 -0.203 18089
4700 1 11 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.533 1.527 18089
4701 1 11 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.004 0.086 18089
4702 1 11 . 1 1 57 57 VAL H H 57 7.280 7.280 7.725 -0.445 18089
4703 1 11 . 1 1 58 58 MET N N 58 115.980 115.980 119.542 -3.562 18089
4704 1 11 . 1 1 58 58 MET HA H 58 4.090 4.090 4.102 -0.012 18089
4705 1 11 . 1 1 58 58 MET CA C 58 57.370 57.370 58.895 -1.525 18089
4706 1 11 . 1 1 58 58 MET CB C 58 31.310 31.310 31.822 -0.512 18089
4707 1 11 . 1 1 58 58 MET H H 58 8.360 8.360 7.822 0.538 18089
4708 1 11 . 1 1 59 59 LYS N N 59 118.900 118.900 117.293 1.607 18089
4709 1 11 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.081 -0.011 18089
4710 1 11 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.140 0.130 18089
4711 1 11 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.907 0.603 18089
4712 1 11 . 1 1 59 59 LYS H H 59 8.620 8.620 7.773 0.847 18089
4713 1 11 . 1 1 60 60 GLU N N 60 119.830 119.830 121.827 -1.997 18089
4714 1 11 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.323 -0.253 18089
4715 1 11 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.731 0.539 18089
4716 1 11 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.226 -1.566 18089
4717 1 11 . 1 1 60 60 GLU H H 60 7.430 7.430 7.467 -0.037 18089
4718 1 11 . 1 1 61 61 LEU N N 61 116.920 116.920 120.725 -3.805 18089
4719 1 11 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.018 -0.068 18089
4720 1 11 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.885 -0.615 18089
4721 1 11 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.331 -0.781 18089
4722 1 11 . 1 1 61 61 LEU H H 61 7.580 7.580 8.704 -1.124 18089
4723 1 11 . 1 1 62 62 ASP N N 62 116.060 116.060 117.095 -1.035 18089
4724 1 11 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.404 0.056 18089
4725 1 11 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.882 -0.722 18089
4726 1 11 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.118 0.521 18089
4727 1 11 . 1 1 62 62 ASP H H 62 7.610 7.610 7.914 -0.304 18089
4728 1 11 . 1 1 63 63 GLU N N 63 118.870 118.870 114.943 3.927 18089
4729 1 11 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.321 -0.221 18089
4730 1 11 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.654 0.386 18089
4731 1 11 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.263 -0.213 18089
4732 1 11 . 1 1 63 63 GLU H H 63 8.120 8.120 7.696 0.424 18089
4733 1 11 . 1 1 64 64 ASN N N 64 117.720 117.720 118.836 -1.116 18089
4734 1 11 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.906 0.254 18089
4735 1 11 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.370 -2.440 18089
4736 1 11 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.251 -0.601 18089
4737 1 11 . 1 1 64 64 ASN H H 64 7.720 7.720 8.730 -1.010 18089
4738 1 11 . 1 1 65 65 GLY N N 65 107.110 107.110 109.683 -2.573 18089
4739 1 11 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.188 0.722 18089
4740 1 11 . 1 1 65 65 GLY H H 65 7.750 7.750 8.216 -0.466 18089
4741 1 11 . 1 1 66 66 ASP N N 66 115.600 115.600 119.965 -4.365 18089
4742 1 11 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.639 0.201 18089
4743 1 11 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.218 0.832 18089
4744 1 11 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.401 0.199 18089
4745 1 11 . 1 1 66 66 ASP H H 66 8.320 8.320 7.748 0.572 18089
4746 1 11 . 1 1 67 67 GLY N N 67 109.220 109.220 109.026 0.194 18089
4747 1 11 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.119 0.691 18089
4748 1 11 . 1 1 67 67 GLY H H 67 8.260 8.260 7.809 0.451 18089
4749 1 11 . 1 1 68 68 GLU N N 68 117.450 117.450 120.747 -3.297 18089
4750 1 11 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.942 0.308 18089
4751 1 11 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.844 -0.874 18089
4752 1 11 . 1 1 68 68 GLU CB C 68 33.920 33.920 31.839 2.081 18089
4753 1 11 . 1 1 68 68 GLU H H 68 8.500 8.500 8.446 0.054 18089
4754 1 11 . 1 1 69 69 VAL N N 69 115.390 115.390 117.968 -2.578 18089
4755 1 11 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.689 0.281 18089
4756 1 11 . 1 1 69 69 VAL CA C 69 59.130 59.130 58.802 0.328 18089
4757 1 11 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.960 0.130 18089
4758 1 11 . 1 1 69 69 VAL H H 69 9.190 9.190 9.261 -0.071 18089
4759 1 11 . 1 1 70 70 ASP N N 70 120.970 120.970 117.217 3.753 18089
4760 1 11 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.122 0.449 18089
4761 1 11 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.825 -1.785 18089
4762 1 11 . 1 1 70 70 ASP CB C 70 42.740 42.740 44.136 -1.396 18089
4763 1 11 . 1 1 70 70 ASP H H 70 8.300 8.300 8.054 0.246 18089
4764 1 11 . 1 1 71 71 PHE N N 71 119.360 119.360 118.805 0.555 18089
4765 1 11 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.382 0.098 18089
4766 1 11 . 1 1 71 71 PHE CA C 71 61.500 61.500 60.852 0.648 18089
4767 1 11 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.581 1.020 18089
4768 1 11 . 1 1 71 71 PHE H H 71 9.520 9.520 8.945 0.575 18089
4769 1 11 . 1 1 72 72 GLN N N 72 116.880 116.880 118.473 -1.593 18089
4770 1 11 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.840 -0.420 18089
4771 1 11 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.904 1.875 18089
4772 1 11 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.551 0.429 18089
4773 1 11 . 1 1 72 72 GLN H H 72 8.180 8.180 8.594 -0.414 18089
4774 1 11 . 1 1 73 73 GLU N N 73 119.720 119.720 119.927 -0.207 18089
4775 1 11 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.036 -0.046 18089
4776 1 11 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.829 0.361 18089
4777 1 11 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.445 1.025 18089
4778 1 11 . 1 1 73 73 GLU H H 73 8.250 8.250 7.735 0.515 18089
4779 1 11 . 1 1 74 74 TYR N N 74 122.440 122.440 120.273 2.167 18089
4780 1 11 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.171 0.169 18089
4781 1 11 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.199 -0.929 18089
4782 1 11 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.368 -1.548 18089
4783 1 11 . 1 1 74 74 TYR H H 74 8.250 8.250 7.977 0.273 18089
4784 1 11 . 1 1 75 75 VAL N N 75 120.220 120.220 118.154 2.066 18089
4785 1 11 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.453 -0.793 18089
4786 1 11 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.125 1.855 18089
4787 1 11 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.202 -0.722 18089
4788 1 11 . 1 1 75 75 VAL H H 75 8.010 8.010 7.242 0.768 18089
4789 1 11 . 1 1 76 76 VAL N N 76 119.350 119.350 120.199 -0.849 18089
4790 1 11 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.635 -0.285 18089
4791 1 11 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.579 1.030 18089
4792 1 11 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.638 0.072 18089
4793 1 11 . 1 1 76 76 VAL H H 76 7.540 7.540 8.103 -0.563 18089
4794 1 11 . 1 1 77 77 LEU N N 77 121.420 121.420 120.177 1.243 18089
4795 1 11 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.918 0.262 18089
4796 1 11 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.015 0.245 18089
4797 1 11 . 1 1 77 77 LEU CB C 77 41.950 41.950 40.989 0.961 18089
4798 1 11 . 1 1 77 77 LEU H H 77 7.760 7.760 8.163 -0.403 18089
4799 1 11 . 1 1 78 78 VAL N N 78 119.530 119.530 115.193 4.337 18089
4800 1 11 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.762 -0.322 18089
4801 1 11 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.627 2.603 18089
4802 1 11 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.448 0.962 18089
4803 1 11 . 1 1 78 78 VAL H H 78 8.370 8.370 7.157 1.213 18089
4804 1 11 . 1 1 79 79 ALA N N 79 125.030 125.030 123.444 1.586 18089
4805 1 11 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.076 -0.046 18089
4806 1 11 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.174 1.896 18089
4807 1 11 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.510 -0.490 18089
4808 1 11 . 1 1 79 79 ALA H H 79 9.070 9.070 7.131 1.939 18089
4809 1 11 . 1 1 80 80 ALA N N 80 122.060 122.060 121.428 0.632 18089
4810 1 11 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.881 0.109 18089
4811 1 11 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.936 0.444 18089
4812 1 11 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.148 -0.588 18089
4813 1 11 . 1 1 80 80 ALA H H 80 8.350 8.350 8.498 -0.148 18089
4814 1 11 . 1 1 81 81 LEU N N 81 117.650 117.650 116.346 1.304 18089
4815 1 11 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.820 0.230 18089
4816 1 11 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.484 0.206 18089
4817 1 11 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.104 0.726 18089
4818 1 11 . 1 1 81 81 LEU H H 81 8.060 8.060 7.354 0.706 18089
4819 1 11 . 1 1 82 82 THR N N 82 117.560 117.560 114.900 2.660 18089
4820 1 11 . 1 1 82 82 THR HA H 82 3.680 3.680 2.798 0.882 18089
4821 1 11 . 1 1 82 82 THR CA C 82 68.820 68.820 65.730 3.090 18089
4822 1 11 . 1 1 82 82 THR CB C 82 67.570 67.570 67.985 -0.415 18089
4823 1 11 . 1 1 82 82 THR H H 82 8.320 8.320 6.795 1.525 18089
4824 1 11 . 1 1 83 83 VAL N N 83 121.390 121.390 118.934 2.456 18089
4825 1 11 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.727 -0.637 18089
4826 1 11 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.507 -0.386 18089
4827 1 11 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.286 0.594 18089
4828 1 11 . 1 1 83 83 VAL H H 83 8.000 8.000 7.675 0.325 18089
4829 1 11 . 1 1 84 84 ALA N N 84 116.970 116.970 121.573 -4.603 18089
4830 1 11 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.013 0.567 18089
4831 1 11 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.941 -1.301 18089
4832 1 11 . 1 1 84 84 ALA CB C 84 20.820 20.820 17.906 2.914 18089
4833 1 11 . 1 1 84 84 ALA H H 84 7.100 7.100 7.325 -0.225 18089
4834 1 11 . 1 1 85 85 CYS N N 85 112.170 112.170 114.206 -2.036 18089
4835 1 11 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.502 0.038 18089
4836 1 11 . 1 1 85 85 CYS CA C 85 60.330 60.330 58.716 1.614 18089
4837 1 11 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.368 5.022 18089
4838 1 11 . 1 1 85 85 CYS H H 85 7.360 7.360 7.633 -0.273 18089
4839 1 11 . 1 1 86 86 ASN N N 86 118.980 118.980 119.984 -1.004 18089
4840 1 11 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.738 -0.258 18089
4841 1 11 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.906 -0.156 18089
4842 1 11 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.608 2.502 18089
4843 1 11 . 1 1 86 86 ASN H H 86 8.440 8.440 7.745 0.695 18089
4844 1 11 . 1 1 87 87 ASN N N 87 124.820 124.820 120.356 4.464 18089
4845 1 11 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.152 0.198 18089
4846 1 11 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.552 0.938 18089
4847 1 11 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.403 0.927 18089
4848 1 11 . 1 1 87 87 ASN H H 87 9.210 9.210 8.229 0.981 18089
4849 1 11 . 1 1 88 88 PHE N N 88 120.560 120.560 120.575 -0.015 18089
4850 1 11 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.562 0.548 18089
4851 1 11 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.457 0.023 18089
4852 1 11 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.920 0.540 18089
4853 1 11 . 1 1 88 88 PHE H H 88 8.690 8.690 7.384 1.306 18089
4854 1 11 . 1 1 89 89 PHE N N 89 112.650 112.650 117.751 -5.101 18089
4855 1 11 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.466 -0.706 18089
4856 1 11 . 1 1 89 89 PHE CA C 89 59.000 59.000 57.898 1.102 18089
4857 1 11 . 1 1 89 89 PHE CB C 89 39.020 39.020 37.909 1.111 18089
4858 1 11 . 1 1 89 89 PHE H H 89 7.440 7.440 8.406 -0.966 18089
4859 1 11 . 1 1 90 90 TRP N N 90 118.650 118.650 120.905 -2.255 18089
4860 1 11 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.670 -0.080 18089
4861 1 11 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.297 2.003 18089
4862 1 11 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.145 5.304 18089
4863 1 11 . 1 1 90 90 TRP H H 90 7.360 7.360 7.878 -0.518 18089
4864 1 11 . 1 1 91 91 GLU N N 91 121.410 121.410 120.793 0.617 18089
4865 1 11 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.420 -0.070 18089
4866 1 11 . 1 1 91 91 GLU CA C 91 56.490 56.490 55.613 0.877 18089
4867 1 11 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.835 -0.365 18089
4868 1 11 . 1 1 91 91 GLU H H 91 7.820 7.820 8.078 -0.258 18089
4869 1 11 . 1 1 92 92 ASN N N 92 120.680 120.680 120.480 0.200 18089
4870 1 11 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.776 -0.046 18089
4871 1 11 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.325 -0.505 18089
4872 1 11 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.936 0.074 18089
4873 1 11 . 1 1 92 92 ASN H H 92 8.590 8.590 8.473 0.117 18089
4874 1 12 . 1 1 2 2 SER N N 2 118.700 118.700 115.749 2.951 18089
4875 1 12 . 1 1 2 2 SER HA H 2 4.680 4.680 4.552 0.128 18089
4876 1 12 . 1 1 2 2 SER CA C 2 57.280 57.280 57.143 0.137 18089
4877 1 12 . 1 1 2 2 SER CB C 2 65.190 65.190 64.604 0.586 18089
4878 1 12 . 1 1 2 2 SER H H 2 9.250 9.250 8.387 0.863 18089
4879 1 12 . 1 1 3 3 GLU N N 3 122.910 122.910 121.357 1.553 18089
4880 1 12 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.178 -0.068 18089
4881 1 12 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.824 1.656 18089
4882 1 12 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.818 -0.808 18089
4883 1 12 . 1 1 3 3 GLU H H 3 9.250 9.250 8.822 0.428 18089
4884 1 12 . 1 1 4 4 LEU N N 4 121.150 121.150 117.905 3.245 18089
4885 1 12 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.023 0.027 18089
4886 1 12 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.579 0.111 18089
4887 1 12 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.172 0.978 18089
4888 1 12 . 1 1 4 4 LEU H H 4 8.940 8.940 8.169 0.771 18089
4889 1 12 . 1 1 5 5 GLU N N 5 118.630 118.630 119.416 -0.786 18089
4890 1 12 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.059 -0.819 18089
4891 1 12 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.419 0.291 18089
4892 1 12 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.052 -0.083 18089
4893 1 12 . 1 1 5 5 GLU H H 5 7.840 7.840 8.666 -0.826 18089
4894 1 12 . 1 1 6 6 THR N N 6 116.040 116.040 115.446 0.594 18089
4895 1 12 . 1 1 6 6 THR HA H 6 4.000 4.000 4.079 -0.079 18089
4896 1 12 . 1 1 6 6 THR CA C 6 66.620 66.620 65.766 0.854 18089
4897 1 12 . 1 1 6 6 THR CB C 6 68.650 68.650 68.154 0.496 18089
4898 1 12 . 1 1 6 6 THR H H 6 8.430 8.430 7.830 0.600 18089
4899 1 12 . 1 1 7 7 ALA N N 7 125.730 125.730 124.938 0.792 18089
4900 1 12 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.087 0.183 18089
4901 1 12 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.925 0.665 18089
4902 1 12 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.412 -0.262 18089
4903 1 12 . 1 1 7 7 ALA H H 7 8.290 8.290 7.165 1.125 18089
4904 1 12 . 1 1 8 8 MET N N 8 115.120 115.120 116.368 -1.248 18089
4905 1 12 . 1 1 8 8 MET HA H 8 4.870 4.870 4.156 0.714 18089
4906 1 12 . 1 1 8 8 MET CA C 8 56.540 56.540 58.977 -2.438 18089
4907 1 12 . 1 1 8 8 MET CB C 8 28.950 28.950 31.870 -2.920 18089
4908 1 12 . 1 1 8 8 MET H H 8 8.100 8.100 7.589 0.511 18089
4909 1 12 . 1 1 9 9 GLU N N 9 120.560 120.560 118.828 1.732 18089
4910 1 12 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.991 0.119 18089
4911 1 12 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.421 1.059 18089
4912 1 12 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.908 -0.068 18089
4913 1 12 . 1 1 9 9 GLU H H 9 8.710 8.710 8.065 0.645 18089
4914 1 12 . 1 1 10 10 THR N N 10 118.800 118.800 112.594 6.206 18089
4915 1 12 . 1 1 10 10 THR HA H 10 4.120 4.120 4.153 -0.033 18089
4916 1 12 . 1 1 10 10 THR CA C 10 67.230 67.230 65.318 1.912 18089
4917 1 12 . 1 1 10 10 THR CB C 10 67.570 67.570 68.806 -1.236 18089
4918 1 12 . 1 1 10 10 THR H H 10 8.470 8.470 7.833 0.637 18089
4919 1 12 . 1 1 11 11 LEU N N 11 121.860 121.860 120.195 1.665 18089
4920 1 12 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.332 -0.222 18089
4921 1 12 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.701 2.779 18089
4922 1 12 . 1 1 11 11 LEU CB C 11 41.940 41.940 41.033 0.907 18089
4923 1 12 . 1 1 11 11 LEU H H 11 8.340 8.340 7.647 0.693 18089
4924 1 12 . 1 1 12 12 ILE N N 12 121.270 121.270 117.823 3.447 18089
4925 1 12 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.125 -0.575 18089
4926 1 12 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.394 1.766 18089
4927 1 12 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.812 0.588 18089
4928 1 12 . 1 1 12 12 ILE H H 12 8.480 8.480 7.726 0.754 18089
4929 1 12 . 1 1 13 13 ASN N N 13 120.510 120.510 120.339 0.171 18089
4930 1 12 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.491 -0.141 18089
4931 1 12 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.373 0.117 18089
4932 1 12 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.847 0.092 18089
4933 1 12 . 1 1 13 13 ASN H H 13 8.690 8.690 8.418 0.272 18089
4934 1 12 . 1 1 14 14 VAL N N 14 121.990 121.990 118.790 3.200 18089
4935 1 12 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.982 -0.112 18089
4936 1 12 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.767 1.783 18089
4937 1 12 . 1 1 14 14 VAL CB C 14 31.710 31.710 31.885 -0.175 18089
4938 1 12 . 1 1 14 14 VAL H H 14 8.880 8.880 7.483 1.397 18089
4939 1 12 . 1 1 15 15 PHE N N 15 120.470 120.470 120.059 0.411 18089
4940 1 12 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.680 -0.110 18089
4941 1 12 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.636 1.844 18089
4942 1 12 . 1 1 15 15 PHE CB C 15 39.500 39.500 38.933 0.567 18089
4943 1 12 . 1 1 15 15 PHE H H 15 7.480 7.480 7.625 -0.145 18089
4944 1 12 . 1 1 16 16 HIS N N 16 118.280 118.280 116.311 1.969 18089
4945 1 12 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.342 0.908 18089
4946 1 12 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.947 -2.978 18089
4947 1 12 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.795 -0.665 18089
4948 1 12 . 1 1 16 16 HIS H H 16 9.270 9.270 8.236 1.034 18089
4949 1 12 . 1 1 17 17 ALA N N 17 121.080 121.080 124.001 -2.921 18089
4950 1 12 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.900 -0.060 18089
4951 1 12 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.171 0.269 18089
4952 1 12 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.585 -0.985 18089
4953 1 12 . 1 1 17 17 ALA H H 17 8.160 8.160 7.287 0.873 18089
4954 1 12 . 1 1 18 18 HIS N N 18 112.570 112.570 115.941 -3.371 18089
4955 1 12 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.588 -0.238 18089
4956 1 12 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.917 1.573 18089
4957 1 12 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.135 1.855 18089
4958 1 12 . 1 1 18 18 HIS H H 18 7.410 7.410 7.744 -0.334 18089
4959 1 12 . 1 1 19 19 SER HA H 19 4.110 4.110 4.151 -0.041 18089
4960 1 12 . 1 1 19 19 SER CA C 19 60.480 60.480 57.963 2.517 18089
4961 1 12 . 1 1 19 19 SER CB C 19 61.800 61.800 63.116 -1.316 18089
4962 1 12 . 1 1 20 20 GLY N N 20 106.720 106.720 113.353 -6.633 18089
4963 1 12 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.166 0.074 18089
4964 1 12 . 1 1 20 20 GLY H H 20 8.260 8.260 8.326 -0.066 18089
4965 1 12 . 1 1 21 21 LYS N N 21 120.240 120.240 119.438 0.802 18089
4966 1 12 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.408 -0.418 18089
4967 1 12 . 1 1 21 21 LYS CA C 21 58.460 58.460 56.892 1.568 18089
4968 1 12 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.793 -0.293 18089
4969 1 12 . 1 1 21 21 LYS H H 21 7.640 7.640 8.365 -0.725 18089
4970 1 12 . 1 1 22 22 GLU N N 22 117.060 117.060 119.429 -2.369 18089
4971 1 12 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.161 0.269 18089
4972 1 12 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.644 -2.264 18089
4973 1 12 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.836 1.204 18089
4974 1 12 . 1 1 22 22 GLU H H 22 7.840 7.840 8.364 -0.524 18089
4975 1 12 . 1 1 23 23 GLY N N 23 107.770 107.770 104.810 2.960 18089
4976 1 12 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.669 1.161 18089
4977 1 12 . 1 1 23 23 GLY H H 23 8.100 8.100 8.473 -0.373 18089
4978 1 12 . 1 1 24 24 ASP N N 24 122.990 122.990 120.117 2.873 18089
4979 1 12 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.903 -0.323 18089
4980 1 12 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.552 0.058 18089
4981 1 12 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.036 -0.676 18089
4982 1 12 . 1 1 24 24 ASP H H 24 8.190 8.190 8.054 0.136 18089
4983 1 12 . 1 1 25 25 LYS N N 25 124.920 124.920 122.912 2.008 18089
4984 1 12 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.932 0.158 18089
4985 1 12 . 1 1 25 25 LYS CA C 25 57.370 57.370 59.039 -1.669 18089
4986 1 12 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.333 -0.323 18089
4987 1 12 . 1 1 25 25 LYS H H 25 8.440 8.440 8.755 -0.315 18089
4988 1 12 . 1 1 26 26 TYR N N 26 117.220 117.220 115.282 1.938 18089
4989 1 12 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.575 0.545 18089
4990 1 12 . 1 1 26 26 TYR CA C 26 57.380 57.380 59.081 -1.701 18089
4991 1 12 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.890 -0.190 18089
4992 1 12 . 1 1 26 26 TYR H H 26 8.490 8.490 8.005 0.485 18089
4993 1 12 . 1 1 27 27 LYS N N 27 118.300 118.300 117.054 1.246 18089
4994 1 12 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.561 -0.071 18089
4995 1 12 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.210 -0.390 18089
4996 1 12 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.127 0.333 18089
4997 1 12 . 1 1 27 27 LYS H H 27 7.870 7.870 7.843 0.027 18089
4998 1 12 . 1 1 28 28 LEU N N 28 121.380 121.380 118.148 3.232 18089
4999 1 12 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.636 0.094 18089
5000 1 12 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.062 -1.242 18089
5001 1 12 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.998 0.372 18089
5002 1 12 . 1 1 28 28 LEU H H 28 8.830 8.830 8.972 -0.142 18089
5003 1 12 . 1 1 29 29 SER N N 29 120.620 120.620 114.452 6.168 18089
5004 1 12 . 1 1 29 29 SER HA H 29 5.030 5.030 5.012 0.018 18089
5005 1 12 . 1 1 29 29 SER CA C 29 57.890 57.890 56.976 0.914 18089
5006 1 12 . 1 1 29 29 SER CB C 29 64.270 64.270 64.918 -0.649 18089
5007 1 12 . 1 1 29 29 SER H H 29 8.940 8.940 8.578 0.362 18089
5008 1 12 . 1 1 30 30 LYS N N 30 124.430 124.430 126.786 -2.356 18089
5009 1 12 . 1 1 30 30 LYS HA H 30 3.870 3.870 3.923 -0.053 18089
5010 1 12 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.617 1.014 18089
5011 1 12 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.588 -0.878 18089
5012 1 12 . 1 1 30 30 LYS H H 30 8.820 8.820 8.143 0.677 18089
5013 1 12 . 1 1 31 31 LYS N N 31 120.230 120.230 117.046 3.184 18089
5014 1 12 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.947 0.223 18089
5015 1 12 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.180 0.160 18089
5016 1 12 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.710 0.789 18089
5017 1 12 . 1 1 31 31 LYS H H 31 8.730 8.730 7.792 0.938 18089
5018 1 12 . 1 1 32 32 GLU N N 32 121.570 121.570 119.661 1.909 18089
5019 1 12 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.169 -0.069 18089
5020 1 12 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.466 -0.426 18089
5021 1 12 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.381 -0.711 18089
5022 1 12 . 1 1 32 32 GLU H H 32 7.780 7.780 7.833 -0.053 18089
5023 1 12 . 1 1 33 33 LEU N N 33 121.620 121.620 120.624 0.996 18089
5024 1 12 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.081 -0.081 18089
5025 1 12 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.839 -0.549 18089
5026 1 12 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.906 -1.406 18089
5027 1 12 . 1 1 33 33 LEU H H 33 8.910 8.910 7.942 0.968 18089
5028 1 12 . 1 1 34 34 LYS N N 34 120.460 120.460 118.932 1.528 18089
5029 1 12 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.942 -0.322 18089
5030 1 12 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.665 1.275 18089
5031 1 12 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.120 -0.710 18089
5032 1 12 . 1 1 34 34 LYS H H 34 8.440 8.440 8.129 0.311 18089
5033 1 12 . 1 1 35 35 GLU N N 35 117.190 117.190 119.132 -1.942 18089
5034 1 12 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.431 -0.361 18089
5035 1 12 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.802 0.468 18089
5036 1 12 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.830 -0.800 18089
5037 1 12 . 1 1 35 35 GLU H H 35 7.200 7.200 7.658 -0.458 18089
5038 1 12 . 1 1 36 36 LEU N N 36 122.760 122.760 118.334 4.426 18089
5039 1 12 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.277 -0.517 18089
5040 1 12 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.749 1.251 18089
5041 1 12 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.932 0.348 18089
5042 1 12 . 1 1 36 36 LEU H H 36 8.310 8.310 7.914 0.396 18089
5043 1 12 . 1 1 37 37 LEU N N 37 120.220 120.220 118.653 1.567 18089
5044 1 12 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.350 -0.670 18089
5045 1 12 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.451 0.869 18089
5046 1 12 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.733 -1.213 18089
5047 1 12 . 1 1 37 37 LEU H H 37 8.820 8.820 8.767 0.053 18089
5048 1 12 . 1 1 38 38 GLN N N 38 113.470 113.470 117.315 -3.845 18089
5049 1 12 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.207 -0.447 18089
5050 1 12 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.086 0.914 18089
5051 1 12 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.570 0.290 18089
5052 1 12 . 1 1 38 38 GLN H H 38 8.110 8.110 7.971 0.139 18089
5053 1 12 . 1 1 39 39 THR N N 39 109.960 109.960 111.898 -1.938 18089
5054 1 12 . 1 1 39 39 THR HA H 39 4.290 4.290 4.395 -0.105 18089
5055 1 12 . 1 1 39 39 THR CA C 39 64.560 64.560 62.767 1.793 18089
5056 1 12 . 1 1 39 39 THR CB C 39 69.750 69.750 69.247 0.503 18089
5057 1 12 . 1 1 39 39 THR H H 39 7.720 7.720 7.697 0.023 18089
5058 1 12 . 1 1 40 40 GLU N N 40 118.420 118.420 119.929 -1.509 18089
5059 1 12 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.397 0.323 18089
5060 1 12 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.256 -0.466 18089
5061 1 12 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.774 -1.574 18089
5062 1 12 . 1 1 40 40 GLU H H 40 9.020 9.020 8.182 0.838 18089
5063 1 12 . 1 1 41 41 LEU N N 41 119.120 119.120 119.042 0.078 18089
5064 1 12 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.645 0.485 18089
5065 1 12 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.154 -1.994 18089
5066 1 12 . 1 1 41 41 LEU CB C 41 42.040 42.040 44.221 -2.181 18089
5067 1 12 . 1 1 41 41 LEU H H 41 7.760 7.760 7.614 0.146 18089
5068 1 12 . 1 1 42 42 SER N N 42 112.960 112.960 117.434 -4.474 18089
5069 1 12 . 1 1 42 42 SER HA H 42 3.870 3.870 4.122 -0.252 18089
5070 1 12 . 1 1 42 42 SER CA C 42 61.630 61.630 59.507 2.123 18089
5071 1 12 . 1 1 42 42 SER CB C 42 62.790 62.790 62.925 -0.135 18089
5072 1 12 . 1 1 42 42 SER H H 42 6.940 6.940 8.119 -1.179 18089
5073 1 12 . 1 1 43 43 GLY N N 43 114.580 114.580 111.817 2.763 18089
5074 1 12 . 1 1 43 43 GLY CA C 43 46.780 46.780 46.182 0.598 18089
5075 1 12 . 1 1 43 43 GLY H H 43 9.250 9.250 8.678 0.572 18089
5076 1 12 . 1 1 44 44 PHE N N 44 124.560 124.560 119.060 5.500 18089
5077 1 12 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.257 0.333 18089
5078 1 12 . 1 1 44 44 PHE CA C 44 57.480 57.480 60.012 -2.532 18089
5079 1 12 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.142 -2.192 18089
5080 1 12 . 1 1 44 44 PHE H H 44 8.320 8.320 7.214 1.106 18089
5081 1 12 . 1 1 45 45 LEU N N 45 116.140 116.140 119.830 -3.690 18089
5082 1 12 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.021 0.149 18089
5083 1 12 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.794 -0.424 18089
5084 1 12 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.940 0.310 18089
5085 1 12 . 1 1 45 45 LEU H H 45 8.650 8.650 7.807 0.843 18089
5086 1 12 . 1 1 46 46 ASP N N 46 119.960 119.960 116.616 3.344 18089
5087 1 12 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.581 0.129 18089
5088 1 12 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.685 -0.045 18089
5089 1 12 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.775 0.745 18089
5090 1 12 . 1 1 46 46 ASP H H 46 7.730 7.730 8.069 -0.339 18089
5091 1 12 . 1 1 47 47 ALA N N 47 124.260 124.260 119.746 4.514 18089
5092 1 12 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.568 0.052 18089
5093 1 12 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.134 -1.624 18089
5094 1 12 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.904 -2.054 18089
5095 1 12 . 1 1 47 47 ALA H H 47 7.740 7.740 7.734 0.006 18089
5096 1 12 . 1 1 48 48 GLN N N 48 117.380 117.380 117.995 -0.615 18089
5097 1 12 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.010 0.080 18089
5098 1 12 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.485 0.885 18089
5099 1 12 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.920 2.550 18089
5100 1 12 . 1 1 48 48 GLN H H 48 7.650 7.650 8.586 -0.936 18089
5101 1 12 . 1 1 49 49 LYS N N 49 121.400 121.400 120.868 0.532 18089
5102 1 12 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.332 -0.202 18089
5103 1 12 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.427 -0.187 18089
5104 1 12 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.009 -2.089 18089
5105 1 12 . 1 1 49 49 LYS H H 49 8.000 8.000 8.259 -0.259 18089
5106 1 12 . 1 1 50 50 ASP N N 50 119.180 119.180 122.468 -3.288 18089
5107 1 12 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.833 -0.173 18089
5108 1 12 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.485 -1.885 18089
5109 1 12 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.770 0.090 18089
5110 1 12 . 1 1 50 50 ASP H H 50 7.500 7.500 7.797 -0.297 18089
5111 1 12 . 1 1 51 51 VAL N N 51 122.100 122.100 125.349 -3.249 18089
5112 1 12 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.609 0.251 18089
5113 1 12 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.338 -1.588 18089
5114 1 12 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.906 0.064 18089
5115 1 12 . 1 1 51 51 VAL H H 51 7.670 7.670 7.970 -0.300 18089
5116 1 12 . 1 1 52 52 ASP N N 52 119.490 119.490 119.807 -0.317 18089
5117 1 12 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.364 -0.014 18089
5118 1 12 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.396 -0.236 18089
5119 1 12 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.485 0.115 18089
5120 1 12 . 1 1 52 52 ASP H H 52 8.130 8.130 8.350 -0.220 18089
5121 1 12 . 1 1 53 53 ALA N N 53 122.220 122.220 121.932 0.288 18089
5122 1 12 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.224 -0.204 18089
5123 1 12 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.926 -0.366 18089
5124 1 12 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.717 0.023 18089
5125 1 12 . 1 1 53 53 ALA H H 53 7.540 7.540 7.507 0.033 18089
5126 1 12 . 1 1 54 54 VAL N N 54 118.080 118.080 118.785 -0.705 18089
5127 1 12 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.550 -0.200 18089
5128 1 12 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.907 -0.327 18089
5129 1 12 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.481 0.239 18089
5130 1 12 . 1 1 54 54 VAL H H 54 7.310 7.310 8.105 -0.795 18089
5131 1 12 . 1 1 55 55 ASP N N 55 119.630 119.630 119.364 0.266 18089
5132 1 12 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.444 -0.165 18089
5133 1 12 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.609 -0.229 18089
5134 1 12 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.974 -0.064 18089
5135 1 12 . 1 1 55 55 ASP H H 55 8.530 8.530 8.614 -0.084 18089
5136 1 12 . 1 1 56 56 LYS N N 56 118.060 118.060 119.228 -1.168 18089
5137 1 12 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.057 -0.127 18089
5138 1 12 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.278 0.542 18089
5139 1 12 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.401 0.099 18089
5140 1 12 . 1 1 56 56 LYS H H 56 7.950 7.950 7.271 0.679 18089
5141 1 12 . 1 1 57 57 VAL N N 57 119.310 119.310 120.034 -0.724 18089
5142 1 12 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.817 -0.097 18089
5143 1 12 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.898 1.162 18089
5144 1 12 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.999 0.091 18089
5145 1 12 . 1 1 57 57 VAL H H 57 7.280 7.280 7.846 -0.566 18089
5146 1 12 . 1 1 58 58 MET N N 58 115.980 115.980 118.427 -2.447 18089
5147 1 12 . 1 1 58 58 MET HA H 58 4.090 4.090 4.126 -0.036 18089
5148 1 12 . 1 1 58 58 MET CA C 58 57.370 57.370 58.635 -1.265 18089
5149 1 12 . 1 1 58 58 MET CB C 58 31.310 31.310 31.798 -0.488 18089
5150 1 12 . 1 1 58 58 MET H H 58 8.360 8.360 7.719 0.641 18089
5151 1 12 . 1 1 59 59 LYS N N 59 118.900 118.900 115.813 3.087 18089
5152 1 12 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.251 -0.181 18089
5153 1 12 . 1 1 59 59 LYS CA C 59 59.270 59.270 58.587 0.683 18089
5154 1 12 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.816 0.694 18089
5155 1 12 . 1 1 59 59 LYS H H 59 8.620 8.620 7.556 1.064 18089
5156 1 12 . 1 1 60 60 GLU N N 60 119.830 119.830 120.427 -0.597 18089
5157 1 12 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.199 -0.129 18089
5158 1 12 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.519 0.751 18089
5159 1 12 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.511 -1.851 18089
5160 1 12 . 1 1 60 60 GLU H H 60 7.430 7.430 7.484 -0.054 18089
5161 1 12 . 1 1 61 61 LEU N N 61 116.920 116.920 121.344 -4.424 18089
5162 1 12 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.202 -0.252 18089
5163 1 12 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.840 -0.570 18089
5164 1 12 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.644 -1.094 18089
5165 1 12 . 1 1 61 61 LEU H H 61 7.580 7.580 8.552 -0.972 18089
5166 1 12 . 1 1 62 62 ASP N N 62 116.060 116.060 117.770 -1.710 18089
5167 1 12 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.342 0.118 18089
5168 1 12 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.964 -0.804 18089
5169 1 12 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.430 1.210 18089
5170 1 12 . 1 1 62 62 ASP H H 62 7.610 7.610 7.870 -0.260 18089
5171 1 12 . 1 1 63 63 GLU N N 63 118.870 118.870 115.827 3.043 18089
5172 1 12 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.391 -0.291 18089
5173 1 12 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.533 0.507 18089
5174 1 12 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.174 -0.124 18089
5175 1 12 . 1 1 63 63 GLU H H 63 8.120 8.120 8.069 0.051 18089
5176 1 12 . 1 1 64 64 ASN N N 64 117.720 117.720 118.960 -1.240 18089
5177 1 12 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.815 0.345 18089
5178 1 12 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.810 -1.880 18089
5179 1 12 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.663 -0.014 18089
5180 1 12 . 1 1 64 64 ASN H H 64 7.720 7.720 8.073 -0.353 18089
5181 1 12 . 1 1 65 65 GLY N N 65 107.110 107.110 109.970 -2.860 18089
5182 1 12 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.800 1.110 18089
5183 1 12 . 1 1 65 65 GLY H H 65 7.750 7.750 8.576 -0.826 18089
5184 1 12 . 1 1 66 66 ASP N N 66 115.600 115.600 121.839 -6.239 18089
5185 1 12 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.643 0.197 18089
5186 1 12 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.906 -0.856 18089
5187 1 12 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.922 -0.322 18089
5188 1 12 . 1 1 66 66 ASP H H 66 8.320 8.320 7.738 0.582 18089
5189 1 12 . 1 1 67 67 GLY N N 67 109.220 109.220 108.554 0.666 18089
5190 1 12 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.626 0.185 18089
5191 1 12 . 1 1 67 67 GLY H H 67 8.260 8.260 7.581 0.679 18089
5192 1 12 . 1 1 68 68 GLU N N 68 117.450 117.450 120.811 -3.361 18089
5193 1 12 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.276 -0.026 18089
5194 1 12 . 1 1 68 68 GLU CA C 68 54.970 54.970 54.887 0.083 18089
5195 1 12 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.367 1.553 18089
5196 1 12 . 1 1 68 68 GLU H H 68 8.500 8.500 8.423 0.077 18089
5197 1 12 . 1 1 69 69 VAL N N 69 115.390 115.390 113.662 1.728 18089
5198 1 12 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.770 0.200 18089
5199 1 12 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.820 -0.690 18089
5200 1 12 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.521 -0.431 18089
5201 1 12 . 1 1 69 69 VAL H H 69 9.190 9.190 9.111 0.079 18089
5202 1 12 . 1 1 70 70 ASP N N 70 120.970 120.970 117.329 3.641 18089
5203 1 12 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.440 0.130 18089
5204 1 12 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.540 -1.500 18089
5205 1 12 . 1 1 70 70 ASP CB C 70 42.740 42.740 44.087 -1.347 18089
5206 1 12 . 1 1 70 70 ASP H H 70 8.300 8.300 9.614 -1.314 18089
5207 1 12 . 1 1 71 71 PHE N N 71 119.360 119.360 119.133 0.227 18089
5208 1 12 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.181 0.299 18089
5209 1 12 . 1 1 71 71 PHE CA C 71 61.500 61.500 60.946 0.554 18089
5210 1 12 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.453 1.147 18089
5211 1 12 . 1 1 71 71 PHE H H 71 9.520 9.520 8.971 0.549 18089
5212 1 12 . 1 1 72 72 GLN N N 72 116.880 116.880 118.418 -1.538 18089
5213 1 12 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.854 -0.434 18089
5214 1 12 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.254 1.526 18089
5215 1 12 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.587 0.393 18089
5216 1 12 . 1 1 72 72 GLN H H 72 8.180 8.180 9.366 -1.186 18089
5217 1 12 . 1 1 73 73 GLU N N 73 119.720 119.720 119.574 0.146 18089
5218 1 12 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.034 -0.044 18089
5219 1 12 . 1 1 73 73 GLU CA C 73 59.190 59.190 59.100 0.090 18089
5220 1 12 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.291 1.179 18089
5221 1 12 . 1 1 73 73 GLU H H 73 8.250 8.250 7.662 0.588 18089
5222 1 12 . 1 1 74 74 TYR N N 74 122.440 122.440 121.242 1.198 18089
5223 1 12 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.122 0.218 18089
5224 1 12 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.182 -0.912 18089
5225 1 12 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.197 -1.377 18089
5226 1 12 . 1 1 74 74 TYR H H 74 8.250 8.250 7.757 0.493 18089
5227 1 12 . 1 1 75 75 VAL N N 75 120.220 120.220 117.981 2.239 18089
5228 1 12 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.349 -0.689 18089
5229 1 12 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.932 1.048 18089
5230 1 12 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.586 -1.106 18089
5231 1 12 . 1 1 75 75 VAL H H 75 8.010 8.010 7.269 0.741 18089
5232 1 12 . 1 1 76 76 VAL N N 76 119.350 119.350 120.389 -1.039 18089
5233 1 12 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.567 -0.217 18089
5234 1 12 . 1 1 76 76 VAL CA C 76 66.610 66.610 66.164 0.446 18089
5235 1 12 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.896 -0.186 18089
5236 1 12 . 1 1 76 76 VAL H H 76 7.540 7.540 8.003 -0.463 18089
5237 1 12 . 1 1 77 77 LEU N N 77 121.420 121.420 120.236 1.184 18089
5238 1 12 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.849 0.331 18089
5239 1 12 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.315 -0.055 18089
5240 1 12 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.408 0.542 18089
5241 1 12 . 1 1 77 77 LEU H H 77 7.760 7.760 8.372 -0.612 18089
5242 1 12 . 1 1 78 78 VAL N N 78 119.530 119.530 113.731 5.799 18089
5243 1 12 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.791 -0.351 18089
5244 1 12 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.551 1.679 18089
5245 1 12 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.775 0.635 18089
5246 1 12 . 1 1 78 78 VAL H H 78 8.370 8.370 7.251 1.119 18089
5247 1 12 . 1 1 79 79 ALA N N 79 125.030 125.030 123.728 1.302 18089
5248 1 12 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.037 -0.007 18089
5249 1 12 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.270 1.800 18089
5250 1 12 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.355 -0.334 18089
5251 1 12 . 1 1 79 79 ALA H H 79 9.070 9.070 7.584 1.486 18089
5252 1 12 . 1 1 80 80 ALA N N 80 122.060 122.060 121.547 0.513 18089
5253 1 12 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.890 0.100 18089
5254 1 12 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.020 0.360 18089
5255 1 12 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.165 -0.605 18089
5256 1 12 . 1 1 80 80 ALA H H 80 8.350 8.350 8.588 -0.238 18089
5257 1 12 . 1 1 81 81 LEU N N 81 117.650 117.650 115.572 2.078 18089
5258 1 12 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.917 0.133 18089
5259 1 12 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.313 0.377 18089
5260 1 12 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.443 0.387 18089
5261 1 12 . 1 1 81 81 LEU H H 81 8.060 8.060 7.395 0.665 18089
5262 1 12 . 1 1 82 82 THR N N 82 117.560 117.560 115.545 2.015 18089
5263 1 12 . 1 1 82 82 THR HA H 82 3.680 3.680 2.423 1.257 18089
5264 1 12 . 1 1 82 82 THR CA C 82 68.820 68.820 66.018 2.802 18089
5265 1 12 . 1 1 82 82 THR CB C 82 67.570 67.570 68.070 -0.500 18089
5266 1 12 . 1 1 82 82 THR H H 82 8.320 8.320 6.868 1.452 18089
5267 1 12 . 1 1 83 83 VAL N N 83 121.390 121.390 118.043 3.347 18089
5268 1 12 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.557 -0.467 18089
5269 1 12 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.860 -0.740 18089
5270 1 12 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.620 0.260 18089
5271 1 12 . 1 1 83 83 VAL H H 83 8.000 8.000 8.092 -0.092 18089
5272 1 12 . 1 1 84 84 ALA N N 84 116.970 116.970 122.867 -5.897 18089
5273 1 12 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.989 0.591 18089
5274 1 12 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.159 -1.519 18089
5275 1 12 . 1 1 84 84 ALA CB C 84 20.820 20.820 17.994 2.826 18089
5276 1 12 . 1 1 84 84 ALA H H 84 7.100 7.100 7.726 -0.626 18089
5277 1 12 . 1 1 85 85 CYS N N 85 112.170 112.170 115.748 -3.578 18089
5278 1 12 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.418 0.122 18089
5279 1 12 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.220 1.110 18089
5280 1 12 . 1 1 85 85 CYS CB C 85 32.390 32.390 26.548 5.842 18089
5281 1 12 . 1 1 85 85 CYS H H 85 7.360 7.360 7.523 -0.163 18089
5282 1 12 . 1 1 86 86 ASN N N 86 118.980 118.980 119.766 -0.786 18089
5283 1 12 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.838 -0.358 18089
5284 1 12 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.567 -0.817 18089
5285 1 12 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.402 2.708 18089
5286 1 12 . 1 1 86 86 ASN H H 86 8.440 8.440 8.379 0.061 18089
5287 1 12 . 1 1 87 87 ASN N N 87 124.820 124.820 120.060 4.760 18089
5288 1 12 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.119 0.231 18089
5289 1 12 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.740 0.750 18089
5290 1 12 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.912 0.418 18089
5291 1 12 . 1 1 87 87 ASN H H 87 9.210 9.210 8.480 0.730 18089
5292 1 12 . 1 1 88 88 PHE N N 88 120.560 120.560 120.185 0.375 18089
5293 1 12 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.311 0.799 18089
5294 1 12 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.870 0.610 18089
5295 1 12 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.777 0.683 18089
5296 1 12 . 1 1 88 88 PHE H H 88 8.690 8.690 7.519 1.171 18089
5297 1 12 . 1 1 89 89 PHE N N 89 112.650 112.650 117.252 -4.602 18089
5298 1 12 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.241 -0.481 18089
5299 1 12 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.524 0.476 18089
5300 1 12 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.294 0.726 18089
5301 1 12 . 1 1 89 89 PHE H H 89 7.440 7.440 8.207 -0.767 18089
5302 1 12 . 1 1 90 90 TRP N N 90 118.650 118.650 117.851 0.799 18089
5303 1 12 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.540 0.050 18089
5304 1 12 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.741 1.559 18089
5305 1 12 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.687 3.763 18089
5306 1 12 . 1 1 90 90 TRP H H 90 7.360 7.360 7.525 -0.165 18089
5307 1 12 . 1 1 91 91 GLU N N 91 121.410 121.410 121.080 0.330 18089
5308 1 12 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.249 0.101 18089
5309 1 12 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.087 0.403 18089
5310 1 12 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.188 0.282 18089
5311 1 12 . 1 1 91 91 GLU H H 91 7.820 7.820 7.885 -0.065 18089
5312 1 12 . 1 1 92 92 ASN N N 92 120.680 120.680 121.174 -0.494 18089
5313 1 12 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.730 -0.000 18089
5314 1 12 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.377 -0.557 18089
5315 1 12 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.733 0.277 18089
5316 1 12 . 1 1 92 92 ASN H H 92 8.590 8.590 8.533 0.057 18089
5317 1 13 . 1 1 2 2 SER N N 2 118.700 118.700 114.818 3.882 18089
5318 1 13 . 1 1 2 2 SER HA H 2 4.680 4.680 4.602 0.078 18089
5319 1 13 . 1 1 2 2 SER CA C 2 57.280 57.280 56.906 0.374 18089
5320 1 13 . 1 1 2 2 SER CB C 2 65.190 65.190 64.891 0.299 18089
5321 1 13 . 1 1 2 2 SER H H 2 9.250 9.250 8.357 0.893 18089
5322 1 13 . 1 1 3 3 GLU N N 3 122.910 122.910 122.807 0.103 18089
5323 1 13 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.113 -0.003 18089
5324 1 13 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.320 1.160 18089
5325 1 13 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.698 -0.688 18089
5326 1 13 . 1 1 3 3 GLU H H 3 9.250 9.250 8.940 0.310 18089
5327 1 13 . 1 1 4 4 LEU N N 4 121.150 121.150 116.818 4.332 18089
5328 1 13 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.125 -0.075 18089
5329 1 13 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.608 0.082 18089
5330 1 13 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.413 0.737 18089
5331 1 13 . 1 1 4 4 LEU H H 4 8.940 8.940 8.134 0.806 18089
5332 1 13 . 1 1 5 5 GLU N N 5 118.630 118.630 119.985 -1.355 18089
5333 1 13 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.030 -0.790 18089
5334 1 13 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.504 0.206 18089
5335 1 13 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.524 -0.554 18089
5336 1 13 . 1 1 5 5 GLU H H 5 7.840 7.840 8.352 -0.512 18089
5337 1 13 . 1 1 6 6 THR N N 6 116.040 116.040 115.246 0.794 18089
5338 1 13 . 1 1 6 6 THR HA H 6 4.000 4.000 4.064 -0.064 18089
5339 1 13 . 1 1 6 6 THR CA C 6 66.620 66.620 65.779 0.841 18089
5340 1 13 . 1 1 6 6 THR CB C 6 68.650 68.650 68.399 0.251 18089
5341 1 13 . 1 1 6 6 THR H H 6 8.430 8.430 7.933 0.497 18089
5342 1 13 . 1 1 7 7 ALA N N 7 125.730 125.730 124.691 1.039 18089
5343 1 13 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.116 0.154 18089
5344 1 13 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.035 0.555 18089
5345 1 13 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.608 -0.458 18089
5346 1 13 . 1 1 7 7 ALA H H 7 8.290 8.290 7.127 1.163 18089
5347 1 13 . 1 1 8 8 MET N N 8 115.120 115.120 116.178 -1.058 18089
5348 1 13 . 1 1 8 8 MET HA H 8 4.870 4.870 4.161 0.709 18089
5349 1 13 . 1 1 8 8 MET CA C 8 56.540 56.540 58.916 -2.376 18089
5350 1 13 . 1 1 8 8 MET CB C 8 28.950 28.950 31.902 -2.952 18089
5351 1 13 . 1 1 8 8 MET H H 8 8.100 8.100 7.557 0.543 18089
5352 1 13 . 1 1 9 9 GLU N N 9 120.560 120.560 118.519 2.041 18089
5353 1 13 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.031 0.079 18089
5354 1 13 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.491 0.989 18089
5355 1 13 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.887 -0.048 18089
5356 1 13 . 1 1 9 9 GLU H H 9 8.710 8.710 7.995 0.715 18089
5357 1 13 . 1 1 10 10 THR N N 10 118.800 118.800 113.551 5.249 18089
5358 1 13 . 1 1 10 10 THR HA H 10 4.120 4.120 4.147 -0.027 18089
5359 1 13 . 1 1 10 10 THR CA C 10 67.230 67.230 65.324 1.906 18089
5360 1 13 . 1 1 10 10 THR CB C 10 67.570 67.570 68.571 -1.001 18089
5361 1 13 . 1 1 10 10 THR H H 10 8.470 8.470 7.819 0.651 18089
5362 1 13 . 1 1 11 11 LEU N N 11 121.860 121.860 121.530 0.330 18089
5363 1 13 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.275 -0.165 18089
5364 1 13 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.937 2.543 18089
5365 1 13 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.539 1.401 18089
5366 1 13 . 1 1 11 11 LEU H H 11 8.340 8.340 7.783 0.557 18089
5367 1 13 . 1 1 12 12 ILE N N 12 121.270 121.270 118.214 3.056 18089
5368 1 13 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.085 -0.535 18089
5369 1 13 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.797 1.363 18089
5370 1 13 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.720 0.680 18089
5371 1 13 . 1 1 12 12 ILE H H 12 8.480 8.480 7.844 0.636 18089
5372 1 13 . 1 1 13 13 ASN N N 13 120.510 120.510 119.978 0.532 18089
5373 1 13 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.527 -0.177 18089
5374 1 13 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.435 0.055 18089
5375 1 13 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.890 0.050 18089
5376 1 13 . 1 1 13 13 ASN H H 13 8.690 8.690 8.556 0.134 18089
5377 1 13 . 1 1 14 14 VAL N N 14 121.990 121.990 118.164 3.826 18089
5378 1 13 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.939 -0.069 18089
5379 1 13 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.281 2.268 18089
5380 1 13 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.510 -0.799 18089
5381 1 13 . 1 1 14 14 VAL H H 14 8.880 8.880 7.384 1.496 18089
5382 1 13 . 1 1 15 15 PHE N N 15 120.470 120.470 120.644 -0.174 18089
5383 1 13 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.671 -0.101 18089
5384 1 13 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.799 1.681 18089
5385 1 13 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.188 0.312 18089
5386 1 13 . 1 1 15 15 PHE H H 15 7.480 7.480 8.025 -0.545 18089
5387 1 13 . 1 1 16 16 HIS N N 16 118.280 118.280 116.914 1.366 18089
5388 1 13 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.352 0.898 18089
5389 1 13 . 1 1 16 16 HIS CA C 16 54.970 54.970 56.097 -1.127 18089
5390 1 13 . 1 1 16 16 HIS CB C 16 30.130 30.130 29.881 0.249 18089
5391 1 13 . 1 1 16 16 HIS H H 16 9.270 9.270 8.188 1.082 18089
5392 1 13 . 1 1 17 17 ALA N N 17 121.080 121.080 120.847 0.233 18089
5393 1 13 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.891 -0.051 18089
5394 1 13 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.066 0.374 18089
5395 1 13 . 1 1 17 17 ALA CB C 17 17.600 17.600 19.341 -1.741 18089
5396 1 13 . 1 1 17 17 ALA H H 17 8.160 8.160 7.318 0.842 18089
5397 1 13 . 1 1 18 18 HIS N N 18 112.570 112.570 114.151 -1.581 18089
5398 1 13 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.593 -0.243 18089
5399 1 13 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.476 1.014 18089
5400 1 13 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.529 0.461 18089
5401 1 13 . 1 1 18 18 HIS H H 18 7.410 7.410 7.511 -0.101 18089
5402 1 13 . 1 1 19 19 SER HA H 19 4.110 4.110 4.103 0.007 18089
5403 1 13 . 1 1 19 19 SER CA C 19 60.480 60.480 58.944 1.536 18089
5404 1 13 . 1 1 19 19 SER CB C 19 61.800 61.800 62.503 -0.703 18089
5405 1 13 . 1 1 20 20 GLY N N 20 106.720 106.720 113.961 -7.241 18089
5406 1 13 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.559 -0.319 18089
5407 1 13 . 1 1 20 20 GLY H H 20 8.260 8.260 8.278 -0.018 18089
5408 1 13 . 1 1 21 21 LYS N N 21 120.240 120.240 120.979 -0.739 18089
5409 1 13 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.114 -0.124 18089
5410 1 13 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.143 0.317 18089
5411 1 13 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.231 0.269 18089
5412 1 13 . 1 1 21 21 LYS H H 21 7.640 7.640 7.622 0.018 18089
5413 1 13 . 1 1 22 22 GLU N N 22 117.060 117.060 118.482 -1.422 18089
5414 1 13 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.183 0.247 18089
5415 1 13 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.657 -2.276 18089
5416 1 13 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.892 1.148 18089
5417 1 13 . 1 1 22 22 GLU H H 22 7.840 7.840 8.331 -0.491 18089
5418 1 13 . 1 1 23 23 GLY N N 23 107.770 107.770 106.436 1.334 18089
5419 1 13 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.682 1.148 18089
5420 1 13 . 1 1 23 23 GLY H H 23 8.100 8.100 8.080 0.020 18089
5421 1 13 . 1 1 24 24 ASP N N 24 122.990 122.990 122.940 0.050 18089
5422 1 13 . 1 1 24 24 ASP HA H 24 4.580 4.580 5.021 -0.441 18089
5423 1 13 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.955 0.655 18089
5424 1 13 . 1 1 24 24 ASP CB C 24 42.360 42.360 40.743 1.617 18089
5425 1 13 . 1 1 24 24 ASP H H 24 8.190 8.190 8.440 -0.250 18089
5426 1 13 . 1 1 25 25 LYS N N 25 124.920 124.920 123.005 1.915 18089
5427 1 13 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.019 0.071 18089
5428 1 13 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.465 -1.095 18089
5429 1 13 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.206 -0.196 18089
5430 1 13 . 1 1 25 25 LYS H H 25 8.440 8.440 8.810 -0.370 18089
5431 1 13 . 1 1 26 26 TYR N N 26 117.220 117.220 115.095 2.125 18089
5432 1 13 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.566 0.554 18089
5433 1 13 . 1 1 26 26 TYR CA C 26 57.380 57.380 58.858 -1.478 18089
5434 1 13 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.500 -0.800 18089
5435 1 13 . 1 1 26 26 TYR H H 26 8.490 8.490 7.865 0.625 18089
5436 1 13 . 1 1 27 27 LYS N N 27 118.300 118.300 116.990 1.310 18089
5437 1 13 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.532 -0.042 18089
5438 1 13 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.108 -0.288 18089
5439 1 13 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.302 0.158 18089
5440 1 13 . 1 1 27 27 LYS H H 27 7.870 7.870 7.992 -0.122 18089
5441 1 13 . 1 1 28 28 LEU N N 28 121.380 121.380 117.618 3.762 18089
5442 1 13 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.605 0.125 18089
5443 1 13 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.297 -1.477 18089
5444 1 13 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.751 0.619 18089
5445 1 13 . 1 1 28 28 LEU H H 28 8.830 8.830 8.978 -0.148 18089
5446 1 13 . 1 1 29 29 SER N N 29 120.620 120.620 114.590 6.030 18089
5447 1 13 . 1 1 29 29 SER HA H 29 5.030 5.030 4.998 0.032 18089
5448 1 13 . 1 1 29 29 SER CA C 29 57.890 57.890 56.892 0.998 18089
5449 1 13 . 1 1 29 29 SER CB C 29 64.270 64.270 65.183 -0.913 18089
5450 1 13 . 1 1 29 29 SER H H 29 8.940 8.940 8.554 0.386 18089
5451 1 13 . 1 1 30 30 LYS N N 30 124.430 124.430 125.537 -1.107 18089
5452 1 13 . 1 1 30 30 LYS HA H 30 3.870 3.870 3.973 -0.103 18089
5453 1 13 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.751 0.879 18089
5454 1 13 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.441 -0.731 18089
5455 1 13 . 1 1 30 30 LYS H H 30 8.820 8.820 8.903 -0.083 18089
5456 1 13 . 1 1 31 31 LYS N N 31 120.230 120.230 118.436 1.794 18089
5457 1 13 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.986 0.184 18089
5458 1 13 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.106 0.234 18089
5459 1 13 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.861 0.638 18089
5460 1 13 . 1 1 31 31 LYS H H 31 8.730 8.730 7.931 0.799 18089
5461 1 13 . 1 1 32 32 GLU N N 32 121.570 121.570 120.525 1.045 18089
5462 1 13 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.117 -0.017 18089
5463 1 13 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.731 -0.691 18089
5464 1 13 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.420 -0.750 18089
5465 1 13 . 1 1 32 32 GLU H H 32 7.780 7.780 7.916 -0.136 18089
5466 1 13 . 1 1 33 33 LEU N N 33 121.620 121.620 120.202 1.418 18089
5467 1 13 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.086 -0.086 18089
5468 1 13 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.661 -0.371 18089
5469 1 13 . 1 1 33 33 LEU CB C 33 40.500 40.500 42.012 -1.512 18089
5470 1 13 . 1 1 33 33 LEU H H 33 8.910 8.910 7.748 1.162 18089
5471 1 13 . 1 1 34 34 LYS N N 34 120.460 120.460 119.445 1.015 18089
5472 1 13 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.020 -0.400 18089
5473 1 13 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.593 1.347 18089
5474 1 13 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.286 -0.876 18089
5475 1 13 . 1 1 34 34 LYS H H 34 8.440 8.440 8.625 -0.185 18089
5476 1 13 . 1 1 35 35 GLU N N 35 117.190 117.190 119.269 -2.079 18089
5477 1 13 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.425 -0.355 18089
5478 1 13 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.936 0.334 18089
5479 1 13 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.798 -0.768 18089
5480 1 13 . 1 1 35 35 GLU H H 35 7.200 7.200 7.734 -0.534 18089
5481 1 13 . 1 1 36 36 LEU N N 36 122.760 122.760 118.302 4.458 18089
5482 1 13 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.259 -0.499 18089
5483 1 13 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.795 1.204 18089
5484 1 13 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.611 0.669 18089
5485 1 13 . 1 1 36 36 LEU H H 36 8.310 8.310 7.605 0.705 18089
5486 1 13 . 1 1 37 37 LEU N N 37 120.220 120.220 118.886 1.334 18089
5487 1 13 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.347 -0.667 18089
5488 1 13 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.394 0.926 18089
5489 1 13 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.569 -1.049 18089
5490 1 13 . 1 1 37 37 LEU H H 37 8.820 8.820 8.236 0.584 18089
5491 1 13 . 1 1 38 38 GLN N N 38 113.470 113.470 117.032 -3.562 18089
5492 1 13 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.172 -0.412 18089
5493 1 13 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.071 0.929 18089
5494 1 13 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.373 0.487 18089
5495 1 13 . 1 1 38 38 GLN H H 38 8.110 8.110 7.983 0.127 18089
5496 1 13 . 1 1 39 39 THR N N 39 109.960 109.960 112.838 -2.878 18089
5497 1 13 . 1 1 39 39 THR HA H 39 4.290 4.290 4.320 -0.030 18089
5498 1 13 . 1 1 39 39 THR CA C 39 64.560 64.560 63.872 0.688 18089
5499 1 13 . 1 1 39 39 THR CB C 39 69.750 69.750 69.178 0.572 18089
5500 1 13 . 1 1 39 39 THR H H 39 7.720 7.720 7.630 0.090 18089
5501 1 13 . 1 1 40 40 GLU N N 40 118.420 118.420 119.338 -0.918 18089
5502 1 13 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.400 0.320 18089
5503 1 13 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.803 -0.013 18089
5504 1 13 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.111 -1.911 18089
5505 1 13 . 1 1 40 40 GLU H H 40 9.020 9.020 7.919 1.101 18089
5506 1 13 . 1 1 41 41 LEU N N 41 119.120 119.120 120.623 -1.503 18089
5507 1 13 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.621 0.509 18089
5508 1 13 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.548 -0.388 18089
5509 1 13 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.716 -0.676 18089
5510 1 13 . 1 1 41 41 LEU H H 41 7.760 7.760 7.736 0.024 18089
5511 1 13 . 1 1 42 42 SER N N 42 112.960 112.960 115.988 -3.028 18089
5512 1 13 . 1 1 42 42 SER HA H 42 3.870 3.870 4.404 -0.534 18089
5513 1 13 . 1 1 42 42 SER CA C 42 61.630 61.630 57.495 4.135 18089
5514 1 13 . 1 1 42 42 SER CB C 42 62.790 62.790 62.009 0.781 18089
5515 1 13 . 1 1 42 42 SER H H 42 6.940 6.940 8.182 -1.242 18089
5516 1 13 . 1 1 43 43 GLY N N 43 114.580 114.580 113.292 1.288 18089
5517 1 13 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.650 1.130 18089
5518 1 13 . 1 1 43 43 GLY H H 43 9.250 9.250 8.710 0.540 18089
5519 1 13 . 1 1 44 44 PHE N N 44 124.560 124.560 118.509 6.051 18089
5520 1 13 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.257 0.333 18089
5521 1 13 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.639 -2.159 18089
5522 1 13 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.769 -2.819 18089
5523 1 13 . 1 1 44 44 PHE H H 44 8.320 8.320 7.537 0.783 18089
5524 1 13 . 1 1 45 45 LEU N N 45 116.140 116.140 119.022 -2.882 18089
5525 1 13 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.030 0.140 18089
5526 1 13 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.948 -0.578 18089
5527 1 13 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.696 0.555 18089
5528 1 13 . 1 1 45 45 LEU H H 45 8.650 8.650 7.892 0.758 18089
5529 1 13 . 1 1 46 46 ASP N N 46 119.960 119.960 117.593 2.367 18089
5530 1 13 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.572 0.138 18089
5531 1 13 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.315 0.325 18089
5532 1 13 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.022 0.498 18089
5533 1 13 . 1 1 46 46 ASP H H 46 7.730 7.730 8.004 -0.274 18089
5534 1 13 . 1 1 47 47 ALA N N 47 124.260 124.260 120.590 3.670 18089
5535 1 13 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.481 0.139 18089
5536 1 13 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.460 -1.950 18089
5537 1 13 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.597 -1.747 18089
5538 1 13 . 1 1 47 47 ALA H H 47 7.740 7.740 7.534 0.206 18089
5539 1 13 . 1 1 48 48 GLN N N 48 117.380 117.380 118.100 -0.720 18089
5540 1 13 . 1 1 48 48 GLN HA H 48 4.090 4.090 3.992 0.098 18089
5541 1 13 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.406 0.964 18089
5542 1 13 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.584 2.885 18089
5543 1 13 . 1 1 48 48 GLN H H 48 7.650 7.650 8.495 -0.845 18089
5544 1 13 . 1 1 49 49 LYS N N 49 121.400 121.400 120.289 1.111 18089
5545 1 13 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.297 -0.167 18089
5546 1 13 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.366 -0.126 18089
5547 1 13 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.849 -1.929 18089
5548 1 13 . 1 1 49 49 LYS H H 49 8.000 8.000 8.225 -0.225 18089
5549 1 13 . 1 1 50 50 ASP N N 50 119.180 119.180 122.756 -3.576 18089
5550 1 13 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.875 -0.215 18089
5551 1 13 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.378 -1.778 18089
5552 1 13 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.762 0.098 18089
5553 1 13 . 1 1 50 50 ASP H H 50 7.500 7.500 7.768 -0.268 18089
5554 1 13 . 1 1 51 51 VAL N N 51 122.100 122.100 124.248 -2.148 18089
5555 1 13 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.649 0.211 18089
5556 1 13 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.215 -1.465 18089
5557 1 13 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.531 0.439 18089
5558 1 13 . 1 1 51 51 VAL H H 51 7.670 7.670 8.259 -0.589 18089
5559 1 13 . 1 1 52 52 ASP N N 52 119.490 119.490 120.085 -0.595 18089
5560 1 13 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.387 -0.037 18089
5561 1 13 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.689 -0.529 18089
5562 1 13 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.732 -0.132 18089
5563 1 13 . 1 1 52 52 ASP H H 52 8.130 8.130 8.269 -0.139 18089
5564 1 13 . 1 1 53 53 ALA N N 53 122.220 122.220 122.385 -0.165 18089
5565 1 13 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.254 -0.234 18089
5566 1 13 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.818 -0.258 18089
5567 1 13 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.942 -0.202 18089
5568 1 13 . 1 1 53 53 ALA H H 53 7.540 7.540 7.655 -0.115 18089
5569 1 13 . 1 1 54 54 VAL N N 54 118.080 118.080 118.800 -0.720 18089
5570 1 13 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.581 -0.231 18089
5571 1 13 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.817 -0.237 18089
5572 1 13 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.008 0.712 18089
5573 1 13 . 1 1 54 54 VAL H H 54 7.310 7.310 8.367 -1.057 18089
5574 1 13 . 1 1 55 55 ASP N N 55 119.630 119.630 119.457 0.173 18089
5575 1 13 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.443 -0.163 18089
5576 1 13 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.542 -0.162 18089
5577 1 13 . 1 1 55 55 ASP CB C 55 40.910 40.910 41.027 -0.117 18089
5578 1 13 . 1 1 55 55 ASP H H 55 8.530 8.530 8.807 -0.277 18089
5579 1 13 . 1 1 56 56 LYS N N 56 118.060 118.060 119.540 -1.480 18089
5580 1 13 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.119 -0.189 18089
5581 1 13 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.319 0.501 18089
5582 1 13 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.728 -0.228 18089
5583 1 13 . 1 1 56 56 LYS H H 56 7.950 7.950 7.381 0.569 18089
5584 1 13 . 1 1 57 57 VAL N N 57 119.310 119.310 120.379 -1.069 18089
5585 1 13 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.846 -0.126 18089
5586 1 13 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.909 1.151 18089
5587 1 13 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.159 -0.069 18089
5588 1 13 . 1 1 57 57 VAL H H 57 7.280 7.280 8.047 -0.767 18089
5589 1 13 . 1 1 58 58 MET N N 58 115.980 115.980 119.269 -3.289 18089
5590 1 13 . 1 1 58 58 MET HA H 58 4.090 4.090 4.093 -0.003 18089
5591 1 13 . 1 1 58 58 MET CA C 58 57.370 57.370 58.821 -1.451 18089
5592 1 13 . 1 1 58 58 MET CB C 58 31.310 31.310 31.859 -0.549 18089
5593 1 13 . 1 1 58 58 MET H H 58 8.360 8.360 8.158 0.202 18089
5594 1 13 . 1 1 59 59 LYS N N 59 118.900 118.900 117.493 1.407 18089
5595 1 13 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.047 0.023 18089
5596 1 13 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.233 0.037 18089
5597 1 13 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.813 0.697 18089
5598 1 13 . 1 1 59 59 LYS H H 59 8.620 8.620 7.671 0.949 18089
5599 1 13 . 1 1 60 60 GLU N N 60 119.830 119.830 121.313 -1.483 18089
5600 1 13 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.305 -0.235 18089
5601 1 13 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.722 0.548 18089
5602 1 13 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.091 -1.431 18089
5603 1 13 . 1 1 60 60 GLU H H 60 7.430 7.430 7.490 -0.060 18089
5604 1 13 . 1 1 61 61 LEU N N 61 116.920 116.920 120.301 -3.381 18089
5605 1 13 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.094 -0.144 18089
5606 1 13 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.539 -0.269 18089
5607 1 13 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.562 -1.012 18089
5608 1 13 . 1 1 61 61 LEU H H 61 7.580 7.580 8.490 -0.910 18089
5609 1 13 . 1 1 62 62 ASP N N 62 116.060 116.060 117.647 -1.587 18089
5610 1 13 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.398 0.062 18089
5611 1 13 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.864 -0.704 18089
5612 1 13 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.248 0.392 18089
5613 1 13 . 1 1 62 62 ASP H H 62 7.610 7.610 8.013 -0.403 18089
5614 1 13 . 1 1 63 63 GLU N N 63 118.870 118.870 115.273 3.597 18089
5615 1 13 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.362 -0.262 18089
5616 1 13 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.247 0.793 18089
5617 1 13 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.252 -0.202 18089
5618 1 13 . 1 1 63 63 GLU H H 63 8.120 8.120 7.631 0.489 18089
5619 1 13 . 1 1 64 64 ASN N N 64 117.720 117.720 118.505 -0.785 18089
5620 1 13 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.907 0.253 18089
5621 1 13 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.475 -1.545 18089
5622 1 13 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.130 -0.480 18089
5623 1 13 . 1 1 64 64 ASN H H 64 7.720 7.720 8.246 -0.526 18089
5624 1 13 . 1 1 65 65 GLY N N 65 107.110 107.110 109.413 -2.303 18089
5625 1 13 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.828 1.083 18089
5626 1 13 . 1 1 65 65 GLY H H 65 7.750 7.750 7.996 -0.246 18089
5627 1 13 . 1 1 66 66 ASP N N 66 115.600 115.600 120.512 -4.912 18089
5628 1 13 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.739 0.101 18089
5629 1 13 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.778 0.272 18089
5630 1 13 . 1 1 66 66 ASP CB C 66 40.600 40.600 41.091 -0.491 18089
5631 1 13 . 1 1 66 66 ASP H H 66 8.320 8.320 7.652 0.668 18089
5632 1 13 . 1 1 67 67 GLY N N 67 109.220 109.220 108.433 0.787 18089
5633 1 13 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.711 0.099 18089
5634 1 13 . 1 1 67 67 GLY H H 67 8.260 8.260 8.068 0.192 18089
5635 1 13 . 1 1 68 68 GLU N N 68 117.450 117.450 118.414 -0.964 18089
5636 1 13 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.399 -0.149 18089
5637 1 13 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.025 -0.055 18089
5638 1 13 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.328 0.592 18089
5639 1 13 . 1 1 68 68 GLU H H 68 8.500 8.500 8.340 0.160 18089
5640 1 13 . 1 1 69 69 VAL N N 69 115.390 115.390 114.554 0.836 18089
5641 1 13 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.649 0.321 18089
5642 1 13 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.214 -0.084 18089
5643 1 13 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.178 -0.088 18089
5644 1 13 . 1 1 69 69 VAL H H 69 9.190 9.190 9.092 0.098 18089
5645 1 13 . 1 1 70 70 ASP N N 70 120.970 120.970 117.669 3.301 18089
5646 1 13 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.099 0.471 18089
5647 1 13 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.979 -1.939 18089
5648 1 13 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.856 -1.117 18089
5649 1 13 . 1 1 70 70 ASP H H 70 8.300 8.300 7.934 0.366 18089
5650 1 13 . 1 1 71 71 PHE N N 71 119.360 119.360 120.778 -1.418 18089
5651 1 13 . 1 1 71 71 PHE HA H 71 3.480 3.480 2.997 0.483 18089
5652 1 13 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.298 -0.798 18089
5653 1 13 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.503 1.097 18089
5654 1 13 . 1 1 71 71 PHE H H 71 9.520 9.520 8.919 0.601 18089
5655 1 13 . 1 1 72 72 GLN N N 72 116.880 116.880 119.089 -2.209 18089
5656 1 13 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.791 -0.371 18089
5657 1 13 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.257 1.523 18089
5658 1 13 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.408 0.572 18089
5659 1 13 . 1 1 72 72 GLN H H 72 8.180 8.180 8.386 -0.206 18089
5660 1 13 . 1 1 73 73 GLU N N 73 119.720 119.720 119.414 0.306 18089
5661 1 13 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.010 -0.020 18089
5662 1 13 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.903 0.287 18089
5663 1 13 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.462 1.008 18089
5664 1 13 . 1 1 73 73 GLU H H 73 8.250 8.250 8.236 0.014 18089
5665 1 13 . 1 1 74 74 TYR N N 74 122.440 122.440 121.041 1.399 18089
5666 1 13 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.139 0.201 18089
5667 1 13 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.034 -0.764 18089
5668 1 13 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.205 -1.385 18089
5669 1 13 . 1 1 74 74 TYR H H 74 8.250 8.250 8.128 0.122 18089
5670 1 13 . 1 1 75 75 VAL N N 75 120.220 120.220 117.490 2.730 18089
5671 1 13 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.432 -0.772 18089
5672 1 13 . 1 1 75 75 VAL CA C 75 66.980 66.980 66.268 0.712 18089
5673 1 13 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.165 -0.685 18089
5674 1 13 . 1 1 75 75 VAL H H 75 8.010 8.010 7.590 0.420 18089
5675 1 13 . 1 1 76 76 VAL N N 76 119.350 119.350 120.755 -1.405 18089
5676 1 13 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.713 -0.363 18089
5677 1 13 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.481 1.129 18089
5678 1 13 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.629 0.081 18089
5679 1 13 . 1 1 76 76 VAL H H 76 7.540 7.540 8.001 -0.461 18089
5680 1 13 . 1 1 77 77 LEU N N 77 121.420 121.420 120.076 1.344 18089
5681 1 13 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.824 0.356 18089
5682 1 13 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.514 -0.254 18089
5683 1 13 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.371 0.579 18089
5684 1 13 . 1 1 77 77 LEU H H 77 7.760 7.760 8.414 -0.654 18089
5685 1 13 . 1 1 78 78 VAL N N 78 119.530 119.530 113.196 6.334 18089
5686 1 13 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.720 -0.280 18089
5687 1 13 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.816 2.414 18089
5688 1 13 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.921 0.489 18089
5689 1 13 . 1 1 78 78 VAL H H 78 8.370 8.370 7.229 1.141 18089
5690 1 13 . 1 1 79 79 ALA N N 79 125.030 125.030 122.152 2.878 18089
5691 1 13 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.066 -0.036 18089
5692 1 13 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.105 1.965 18089
5693 1 13 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.472 -0.452 18089
5694 1 13 . 1 1 79 79 ALA H H 79 9.070 9.070 7.568 1.502 18089
5695 1 13 . 1 1 80 80 ALA N N 80 122.060 122.060 121.468 0.592 18089
5696 1 13 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.880 0.110 18089
5697 1 13 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.938 0.442 18089
5698 1 13 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.138 -0.578 18089
5699 1 13 . 1 1 80 80 ALA H H 80 8.350 8.350 8.558 -0.208 18089
5700 1 13 . 1 1 81 81 LEU N N 81 117.650 117.650 116.070 1.580 18089
5701 1 13 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.847 0.203 18089
5702 1 13 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.382 0.308 18089
5703 1 13 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.297 0.533 18089
5704 1 13 . 1 1 81 81 LEU H H 81 8.060 8.060 7.351 0.709 18089
5705 1 13 . 1 1 82 82 THR N N 82 117.560 117.560 115.650 1.910 18089
5706 1 13 . 1 1 82 82 THR HA H 82 3.680 3.680 2.748 0.932 18089
5707 1 13 . 1 1 82 82 THR CA C 82 68.820 68.820 66.231 2.589 18089
5708 1 13 . 1 1 82 82 THR CB C 82 67.570 67.570 68.315 -0.745 18089
5709 1 13 . 1 1 82 82 THR H H 82 8.320 8.320 6.781 1.539 18089
5710 1 13 . 1 1 83 83 VAL N N 83 121.390 121.390 118.355 3.035 18089
5711 1 13 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.507 -0.417 18089
5712 1 13 . 1 1 83 83 VAL CA C 83 65.120 65.120 66.022 -0.901 18089
5713 1 13 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.455 0.425 18089
5714 1 13 . 1 1 83 83 VAL H H 83 8.000 8.000 7.931 0.069 18089
5715 1 13 . 1 1 84 84 ALA N N 84 116.970 116.970 122.630 -5.660 18089
5716 1 13 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.963 0.617 18089
5717 1 13 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.069 -1.429 18089
5718 1 13 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.232 2.588 18089
5719 1 13 . 1 1 84 84 ALA H H 84 7.100 7.100 7.780 -0.680 18089
5720 1 13 . 1 1 85 85 CYS N N 85 112.170 112.170 114.893 -2.723 18089
5721 1 13 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.479 0.061 18089
5722 1 13 . 1 1 85 85 CYS CA C 85 60.330 60.330 60.277 0.053 18089
5723 1 13 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.551 3.839 18089
5724 1 13 . 1 1 85 85 CYS H H 85 7.360 7.360 7.509 -0.149 18089
5725 1 13 . 1 1 86 86 ASN N N 86 118.980 118.980 121.184 -2.204 18089
5726 1 13 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.831 -0.351 18089
5727 1 13 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.092 -1.341 18089
5728 1 13 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.970 3.140 18089
5729 1 13 . 1 1 86 86 ASN H H 86 8.440 8.440 8.559 -0.119 18089
5730 1 13 . 1 1 87 87 ASN N N 87 124.820 124.820 118.846 5.974 18089
5731 1 13 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.217 0.133 18089
5732 1 13 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.556 0.934 18089
5733 1 13 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.879 0.451 18089
5734 1 13 . 1 1 87 87 ASN H H 87 9.210 9.210 8.282 0.928 18089
5735 1 13 . 1 1 88 88 PHE N N 88 120.560 120.560 119.996 0.564 18089
5736 1 13 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.132 0.978 18089
5737 1 13 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.549 0.931 18089
5738 1 13 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.708 0.752 18089
5739 1 13 . 1 1 88 88 PHE H H 88 8.690 8.690 7.514 1.176 18089
5740 1 13 . 1 1 89 89 PHE N N 89 112.650 112.650 117.907 -5.257 18089
5741 1 13 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.364 -0.604 18089
5742 1 13 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.908 0.092 18089
5743 1 13 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.309 0.711 18089
5744 1 13 . 1 1 89 89 PHE H H 89 7.440 7.440 8.219 -0.779 18089
5745 1 13 . 1 1 90 90 TRP N N 90 118.650 118.650 118.453 0.197 18089
5746 1 13 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.550 0.040 18089
5747 1 13 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.005 1.294 18089
5748 1 13 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.591 4.859 18089
5749 1 13 . 1 1 90 90 TRP H H 90 7.360 7.360 7.301 0.059 18089
5750 1 13 . 1 1 91 91 GLU N N 91 121.410 121.410 120.780 0.630 18089
5751 1 13 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.078 0.272 18089
5752 1 13 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.948 -0.458 18089
5753 1 13 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.068 0.402 18089
5754 1 13 . 1 1 91 91 GLU H H 91 7.820 7.820 8.056 -0.236 18089
5755 1 13 . 1 1 92 92 ASN N N 92 120.680 120.680 120.472 0.208 18089
5756 1 13 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.693 0.037 18089
5757 1 13 . 1 1 92 92 ASN CA C 92 52.820 52.820 54.093 -1.273 18089
5758 1 13 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.966 0.044 18089
5759 1 13 . 1 1 92 92 ASN H H 92 8.590 8.590 8.560 0.030 18089
5760 1 14 . 1 1 2 2 SER N N 2 118.700 118.700 116.011 2.689 18089
5761 1 14 . 1 1 2 2 SER HA H 2 4.680 4.680 4.575 0.105 18089
5762 1 14 . 1 1 2 2 SER CA C 2 57.280 57.280 56.865 0.415 18089
5763 1 14 . 1 1 2 2 SER CB C 2 65.190 65.190 65.444 -0.254 18089
5764 1 14 . 1 1 2 2 SER H H 2 9.250 9.250 8.118 1.132 18089
5765 1 14 . 1 1 3 3 GLU N N 3 122.910 122.910 122.780 0.130 18089
5766 1 14 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.161 -0.051 18089
5767 1 14 . 1 1 3 3 GLU CA C 3 60.480 60.480 58.881 1.599 18089
5768 1 14 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.794 -0.784 18089
5769 1 14 . 1 1 3 3 GLU H H 3 9.250 9.250 8.851 0.399 18089
5770 1 14 . 1 1 4 4 LEU N N 4 121.150 121.150 117.953 3.197 18089
5771 1 14 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.051 -0.001 18089
5772 1 14 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.550 0.140 18089
5773 1 14 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.211 0.939 18089
5774 1 14 . 1 1 4 4 LEU H H 4 8.940 8.940 8.134 0.806 18089
5775 1 14 . 1 1 5 5 GLU N N 5 118.630 118.630 119.455 -0.825 18089
5776 1 14 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.051 -0.811 18089
5777 1 14 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.383 0.327 18089
5778 1 14 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.906 0.064 18089
5779 1 14 . 1 1 5 5 GLU H H 5 7.840 7.840 8.707 -0.867 18089
5780 1 14 . 1 1 6 6 THR N N 6 116.040 116.040 115.656 0.384 18089
5781 1 14 . 1 1 6 6 THR HA H 6 4.000 4.000 4.037 -0.037 18089
5782 1 14 . 1 1 6 6 THR CA C 6 66.620 66.620 65.781 0.839 18089
5783 1 14 . 1 1 6 6 THR CB C 6 68.650 68.650 68.384 0.266 18089
5784 1 14 . 1 1 6 6 THR H H 6 8.430 8.430 7.739 0.691 18089
5785 1 14 . 1 1 7 7 ALA N N 7 125.730 125.730 125.157 0.573 18089
5786 1 14 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.082 0.188 18089
5787 1 14 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.866 0.724 18089
5788 1 14 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.389 -0.239 18089
5789 1 14 . 1 1 7 7 ALA H H 7 8.290 8.290 7.671 0.619 18089
5790 1 14 . 1 1 8 8 MET N N 8 115.120 115.120 116.493 -1.373 18089
5791 1 14 . 1 1 8 8 MET HA H 8 4.870 4.870 4.122 0.748 18089
5792 1 14 . 1 1 8 8 MET CA C 8 56.540 56.540 58.987 -2.447 18089
5793 1 14 . 1 1 8 8 MET CB C 8 28.950 28.950 31.732 -2.782 18089
5794 1 14 . 1 1 8 8 MET H H 8 8.100 8.100 7.595 0.505 18089
5795 1 14 . 1 1 9 9 GLU N N 9 120.560 120.560 118.474 2.086 18089
5796 1 14 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.941 0.169 18089
5797 1 14 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.333 1.147 18089
5798 1 14 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.950 -0.110 18089
5799 1 14 . 1 1 9 9 GLU H H 9 8.710 8.710 7.875 0.835 18089
5800 1 14 . 1 1 10 10 THR N N 10 118.800 118.800 113.561 5.239 18089
5801 1 14 . 1 1 10 10 THR HA H 10 4.120 4.120 4.151 -0.031 18089
5802 1 14 . 1 1 10 10 THR CA C 10 67.230 67.230 65.522 1.708 18089
5803 1 14 . 1 1 10 10 THR CB C 10 67.570 67.570 68.559 -0.989 18089
5804 1 14 . 1 1 10 10 THR H H 10 8.470 8.470 7.975 0.495 18089
5805 1 14 . 1 1 11 11 LEU N N 11 121.860 121.860 121.164 0.696 18089
5806 1 14 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.283 -0.173 18089
5807 1 14 . 1 1 11 11 LEU CA C 11 60.480 60.480 58.104 2.376 18089
5808 1 14 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.938 1.002 18089
5809 1 14 . 1 1 11 11 LEU H H 11 8.340 8.340 7.519 0.821 18089
5810 1 14 . 1 1 12 12 ILE N N 12 121.270 121.270 117.190 4.080 18089
5811 1 14 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.016 -0.466 18089
5812 1 14 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.924 1.236 18089
5813 1 14 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.729 0.671 18089
5814 1 14 . 1 1 12 12 ILE H H 12 8.480 8.480 8.100 0.380 18089
5815 1 14 . 1 1 13 13 ASN N N 13 120.510 120.510 120.413 0.097 18089
5816 1 14 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.525 -0.175 18089
5817 1 14 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.287 0.203 18089
5818 1 14 . 1 1 13 13 ASN CB C 13 37.940 37.940 38.011 -0.071 18089
5819 1 14 . 1 1 13 13 ASN H H 13 8.690 8.690 8.455 0.235 18089
5820 1 14 . 1 1 14 14 VAL N N 14 121.990 121.990 118.066 3.924 18089
5821 1 14 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.990 -0.120 18089
5822 1 14 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.592 1.958 18089
5823 1 14 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.658 -0.948 18089
5824 1 14 . 1 1 14 14 VAL H H 14 8.880 8.880 7.457 1.423 18089
5825 1 14 . 1 1 15 15 PHE N N 15 120.470 120.470 119.587 0.883 18089
5826 1 14 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.756 -0.186 18089
5827 1 14 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.978 1.502 18089
5828 1 14 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.127 0.373 18089
5829 1 14 . 1 1 15 15 PHE H H 15 7.480 7.480 7.850 -0.370 18089
5830 1 14 . 1 1 16 16 HIS N N 16 118.280 118.280 116.567 1.713 18089
5831 1 14 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.374 0.876 18089
5832 1 14 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.115 -3.145 18089
5833 1 14 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.530 -0.400 18089
5834 1 14 . 1 1 16 16 HIS H H 16 9.270 9.270 8.289 0.981 18089
5835 1 14 . 1 1 17 17 ALA N N 17 121.080 121.080 123.082 -2.002 18089
5836 1 14 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.954 -0.114 18089
5837 1 14 . 1 1 17 17 ALA CA C 17 54.440 54.440 53.837 0.604 18089
5838 1 14 . 1 1 17 17 ALA CB C 17 17.600 17.600 19.064 -1.464 18089
5839 1 14 . 1 1 17 17 ALA H H 17 8.160 8.160 7.362 0.798 18089
5840 1 14 . 1 1 18 18 HIS N N 18 112.570 112.570 115.059 -2.489 18089
5841 1 14 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.631 -0.281 18089
5842 1 14 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.717 1.774 18089
5843 1 14 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.840 1.150 18089
5844 1 14 . 1 1 18 18 HIS H H 18 7.410 7.410 7.569 -0.159 18089
5845 1 14 . 1 1 19 19 SER HA H 19 4.110 4.110 4.195 -0.085 18089
5846 1 14 . 1 1 19 19 SER CA C 19 60.480 60.480 58.599 1.881 18089
5847 1 14 . 1 1 19 19 SER CB C 19 61.800 61.800 64.157 -2.357 18089
5848 1 14 . 1 1 20 20 GLY N N 20 106.720 106.720 112.040 -5.320 18089
5849 1 14 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.545 -0.305 18089
5850 1 14 . 1 1 20 20 GLY H H 20 8.260 8.260 8.348 -0.088 18089
5851 1 14 . 1 1 21 21 LYS N N 21 120.240 120.240 121.121 -0.881 18089
5852 1 14 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.983 0.007 18089
5853 1 14 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.437 0.023 18089
5854 1 14 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.037 0.463 18089
5855 1 14 . 1 1 21 21 LYS H H 21 7.640 7.640 7.924 -0.284 18089
5856 1 14 . 1 1 22 22 GLU N N 22 117.060 117.060 117.954 -0.894 18089
5857 1 14 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.153 0.277 18089
5858 1 14 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.981 -2.601 18089
5859 1 14 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.809 1.231 18089
5860 1 14 . 1 1 22 22 GLU H H 22 7.840 7.840 8.395 -0.555 18089
5861 1 14 . 1 1 23 23 GLY N N 23 107.770 107.770 105.275 2.495 18089
5862 1 14 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.794 1.036 18089
5863 1 14 . 1 1 23 23 GLY H H 23 8.100 8.100 8.327 -0.227 18089
5864 1 14 . 1 1 24 24 ASP N N 24 122.990 122.990 121.310 1.680 18089
5865 1 14 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.971 -0.391 18089
5866 1 14 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.022 0.588 18089
5867 1 14 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.353 0.007 18089
5868 1 14 . 1 1 24 24 ASP H H 24 8.190 8.190 8.077 0.113 18089
5869 1 14 . 1 1 25 25 LYS N N 25 124.920 124.920 122.041 2.879 18089
5870 1 14 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.088 0.002 18089
5871 1 14 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.028 -0.658 18089
5872 1 14 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.537 -0.527 18089
5873 1 14 . 1 1 25 25 LYS H H 25 8.440 8.440 8.639 -0.199 18089
5874 1 14 . 1 1 26 26 TYR N N 26 117.220 117.220 115.026 2.194 18089
5875 1 14 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.667 0.454 18089
5876 1 14 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.889 -0.509 18089
5877 1 14 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.893 -0.193 18089
5878 1 14 . 1 1 26 26 TYR H H 26 8.490 8.490 8.026 0.464 18089
5879 1 14 . 1 1 27 27 LYS N N 27 118.300 118.300 118.285 0.015 18089
5880 1 14 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.533 -0.043 18089
5881 1 14 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.376 -0.556 18089
5882 1 14 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.935 0.525 18089
5883 1 14 . 1 1 27 27 LYS H H 27 7.870 7.870 7.496 0.374 18089
5884 1 14 . 1 1 28 28 LEU N N 28 121.380 121.380 120.569 0.811 18089
5885 1 14 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.698 0.032 18089
5886 1 14 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.544 -1.724 18089
5887 1 14 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.191 0.179 18089
5888 1 14 . 1 1 28 28 LEU H H 28 8.830 8.830 9.054 -0.224 18089
5889 1 14 . 1 1 29 29 SER N N 29 120.620 120.620 115.970 4.650 18089
5890 1 14 . 1 1 29 29 SER HA H 29 5.030 5.030 4.939 0.091 18089
5891 1 14 . 1 1 29 29 SER CA C 29 57.890 57.890 56.969 0.921 18089
5892 1 14 . 1 1 29 29 SER CB C 29 64.270 64.270 64.699 -0.429 18089
5893 1 14 . 1 1 29 29 SER H H 29 8.940 8.940 8.620 0.320 18089
5894 1 14 . 1 1 30 30 LYS N N 30 124.430 124.430 123.178 1.252 18089
5895 1 14 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.145 -0.275 18089
5896 1 14 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.628 1.002 18089
5897 1 14 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.575 -0.865 18089
5898 1 14 . 1 1 30 30 LYS H H 30 8.820 8.820 8.968 -0.148 18089
5899 1 14 . 1 1 31 31 LYS N N 31 120.230 120.230 118.905 1.325 18089
5900 1 14 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.924 0.246 18089
5901 1 14 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.242 0.098 18089
5902 1 14 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.738 0.762 18089
5903 1 14 . 1 1 31 31 LYS H H 31 8.730 8.730 8.042 0.688 18089
5904 1 14 . 1 1 32 32 GLU N N 32 121.570 121.570 120.031 1.539 18089
5905 1 14 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.074 0.026 18089
5906 1 14 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.885 -0.844 18089
5907 1 14 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.315 -0.645 18089
5908 1 14 . 1 1 32 32 GLU H H 32 7.780 7.780 7.537 0.243 18089
5909 1 14 . 1 1 33 33 LEU N N 33 121.620 121.620 119.889 1.731 18089
5910 1 14 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.969 0.031 18089
5911 1 14 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.828 -0.538 18089
5912 1 14 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.948 -1.448 18089
5913 1 14 . 1 1 33 33 LEU H H 33 8.910 8.910 7.415 1.495 18089
5914 1 14 . 1 1 34 34 LYS N N 34 120.460 120.460 119.109 1.351 18089
5915 1 14 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.005 -0.385 18089
5916 1 14 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.545 1.395 18089
5917 1 14 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.219 -0.809 18089
5918 1 14 . 1 1 34 34 LYS H H 34 8.440 8.440 8.687 -0.247 18089
5919 1 14 . 1 1 35 35 GLU N N 35 117.190 117.190 119.643 -2.453 18089
5920 1 14 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.435 -0.365 18089
5921 1 14 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.867 0.403 18089
5922 1 14 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.850 -0.820 18089
5923 1 14 . 1 1 35 35 GLU H H 35 7.200 7.200 7.775 -0.575 18089
5924 1 14 . 1 1 36 36 LEU N N 36 122.760 122.760 118.673 4.087 18089
5925 1 14 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.247 -0.487 18089
5926 1 14 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.860 1.140 18089
5927 1 14 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.692 0.588 18089
5928 1 14 . 1 1 36 36 LEU H H 36 8.310 8.310 7.956 0.354 18089
5929 1 14 . 1 1 37 37 LEU N N 37 120.220 120.220 118.950 1.270 18089
5930 1 14 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.347 -0.667 18089
5931 1 14 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.452 0.868 18089
5932 1 14 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.572 -1.052 18089
5933 1 14 . 1 1 37 37 LEU H H 37 8.820 8.820 8.434 0.386 18089
5934 1 14 . 1 1 38 38 GLN N N 38 113.470 113.470 116.737 -3.267 18089
5935 1 14 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.197 -0.437 18089
5936 1 14 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.129 0.871 18089
5937 1 14 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.423 0.437 18089
5938 1 14 . 1 1 38 38 GLN H H 38 8.110 8.110 7.960 0.150 18089
5939 1 14 . 1 1 39 39 THR N N 39 109.960 109.960 113.154 -3.194 18089
5940 1 14 . 1 1 39 39 THR HA H 39 4.290 4.290 4.367 -0.077 18089
5941 1 14 . 1 1 39 39 THR CA C 39 64.560 64.560 63.797 0.763 18089
5942 1 14 . 1 1 39 39 THR CB C 39 69.750 69.750 69.225 0.525 18089
5943 1 14 . 1 1 39 39 THR H H 39 7.720 7.720 7.567 0.153 18089
5944 1 14 . 1 1 40 40 GLU N N 40 118.420 118.420 119.025 -0.605 18089
5945 1 14 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.391 0.329 18089
5946 1 14 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.652 0.138 18089
5947 1 14 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.014 -1.814 18089
5948 1 14 . 1 1 40 40 GLU H H 40 9.020 9.020 7.865 1.155 18089
5949 1 14 . 1 1 41 41 LEU N N 41 119.120 119.120 120.946 -1.826 18089
5950 1 14 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.631 0.499 18089
5951 1 14 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.477 -0.317 18089
5952 1 14 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.601 -0.561 18089
5953 1 14 . 1 1 41 41 LEU H H 41 7.760 7.760 7.729 0.031 18089
5954 1 14 . 1 1 42 42 SER N N 42 112.960 112.960 116.386 -3.426 18089
5955 1 14 . 1 1 42 42 SER HA H 42 3.870 3.870 4.440 -0.570 18089
5956 1 14 . 1 1 42 42 SER CA C 42 61.630 61.630 58.046 3.584 18089
5957 1 14 . 1 1 42 42 SER CB C 42 62.790 62.790 61.664 1.126 18089
5958 1 14 . 1 1 42 42 SER H H 42 6.940 6.940 8.075 -1.135 18089
5959 1 14 . 1 1 43 43 GLY N N 43 114.580 114.580 111.469 3.111 18089
5960 1 14 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.774 1.006 18089
5961 1 14 . 1 1 43 43 GLY H H 43 9.250 9.250 8.695 0.555 18089
5962 1 14 . 1 1 44 44 PHE N N 44 124.560 124.560 119.582 4.978 18089
5963 1 14 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.400 0.190 18089
5964 1 14 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.760 -2.280 18089
5965 1 14 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.293 -2.343 18089
5966 1 14 . 1 1 44 44 PHE H H 44 8.320 8.320 7.385 0.935 18089
5967 1 14 . 1 1 45 45 LEU N N 45 116.140 116.140 119.848 -3.708 18089
5968 1 14 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.029 0.141 18089
5969 1 14 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.515 -0.145 18089
5970 1 14 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.780 0.470 18089
5971 1 14 . 1 1 45 45 LEU H H 45 8.650 8.650 8.042 0.608 18089
5972 1 14 . 1 1 46 46 ASP N N 46 119.960 119.960 116.808 3.152 18089
5973 1 14 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.496 0.214 18089
5974 1 14 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.601 1.039 18089
5975 1 14 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.510 0.010 18089
5976 1 14 . 1 1 46 46 ASP H H 46 7.730 7.730 7.656 0.074 18089
5977 1 14 . 1 1 47 47 ALA N N 47 124.260 124.260 122.018 2.242 18089
5978 1 14 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.621 -0.001 18089
5979 1 14 . 1 1 47 47 ALA CA C 47 50.510 50.510 51.850 -1.341 18089
5980 1 14 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.188 -1.337 18089
5981 1 14 . 1 1 47 47 ALA H H 47 7.740 7.740 7.472 0.268 18089
5982 1 14 . 1 1 48 48 GLN N N 48 117.380 117.380 123.729 -6.349 18089
5983 1 14 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.390 -0.300 18089
5984 1 14 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.377 1.993 18089
5985 1 14 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.692 0.778 18089
5986 1 14 . 1 1 48 48 GLN H H 48 7.650 7.650 8.380 -0.730 18089
5987 1 14 . 1 1 49 49 LYS N N 49 121.400 121.400 123.025 -1.625 18089
5988 1 14 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.261 -0.131 18089
5989 1 14 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.291 -0.051 18089
5990 1 14 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.014 -2.094 18089
5991 1 14 . 1 1 49 49 LYS H H 49 8.000 8.000 8.557 -0.557 18089
5992 1 14 . 1 1 50 50 ASP N N 50 119.180 119.180 122.846 -3.666 18089
5993 1 14 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.855 -0.195 18089
5994 1 14 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.977 -2.377 18089
5995 1 14 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.645 0.214 18089
5996 1 14 . 1 1 50 50 ASP H H 50 7.500 7.500 7.692 -0.192 18089
5997 1 14 . 1 1 51 51 VAL N N 51 122.100 122.100 125.207 -3.107 18089
5998 1 14 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.673 0.187 18089
5999 1 14 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.538 -1.788 18089
6000 1 14 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.721 0.249 18089
6001 1 14 . 1 1 51 51 VAL H H 51 7.670 7.670 8.392 -0.722 18089
6002 1 14 . 1 1 52 52 ASP N N 52 119.490 119.490 119.598 -0.108 18089
6003 1 14 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.340 0.010 18089
6004 1 14 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.457 -0.297 18089
6005 1 14 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.419 0.181 18089
6006 1 14 . 1 1 52 52 ASP H H 52 8.130 8.130 8.506 -0.376 18089
6007 1 14 . 1 1 53 53 ALA N N 53 122.220 122.220 121.926 0.294 18089
6008 1 14 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.229 -0.209 18089
6009 1 14 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.849 -0.289 18089
6010 1 14 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.805 -0.065 18089
6011 1 14 . 1 1 53 53 ALA H H 53 7.540 7.540 7.519 0.021 18089
6012 1 14 . 1 1 54 54 VAL N N 54 118.080 118.080 118.947 -0.867 18089
6013 1 14 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.478 -0.128 18089
6014 1 14 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.838 -0.258 18089
6015 1 14 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.585 0.135 18089
6016 1 14 . 1 1 54 54 VAL H H 54 7.310 7.310 8.266 -0.956 18089
6017 1 14 . 1 1 55 55 ASP N N 55 119.630 119.630 118.831 0.799 18089
6018 1 14 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.488 -0.208 18089
6019 1 14 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.252 0.128 18089
6020 1 14 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.862 0.048 18089
6021 1 14 . 1 1 55 55 ASP H H 55 8.530 8.530 8.845 -0.315 18089
6022 1 14 . 1 1 56 56 LYS N N 56 118.060 118.060 119.802 -1.742 18089
6023 1 14 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.144 -0.214 18089
6024 1 14 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.209 0.611 18089
6025 1 14 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.663 -0.163 18089
6026 1 14 . 1 1 56 56 LYS H H 56 7.950 7.950 7.499 0.451 18089
6027 1 14 . 1 1 57 57 VAL N N 57 119.310 119.310 121.263 -1.953 18089
6028 1 14 . 1 1 57 57 VAL HA H 57 3.720 3.720 4.027 -0.307 18089
6029 1 14 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.066 1.994 18089
6030 1 14 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.914 0.176 18089
6031 1 14 . 1 1 57 57 VAL H H 57 7.280 7.280 8.081 -0.801 18089
6032 1 14 . 1 1 58 58 MET N N 58 115.980 115.980 119.473 -3.493 18089
6033 1 14 . 1 1 58 58 MET HA H 58 4.090 4.090 4.087 0.003 18089
6034 1 14 . 1 1 58 58 MET CA C 58 57.370 57.370 59.074 -1.704 18089
6035 1 14 . 1 1 58 58 MET CB C 58 31.310 31.310 31.767 -0.458 18089
6036 1 14 . 1 1 58 58 MET H H 58 8.360 8.360 8.242 0.118 18089
6037 1 14 . 1 1 59 59 LYS N N 59 118.900 118.900 116.815 2.085 18089
6038 1 14 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.079 -0.009 18089
6039 1 14 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.313 -0.043 18089
6040 1 14 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.657 0.853 18089
6041 1 14 . 1 1 59 59 LYS H H 59 8.620 8.620 7.621 0.999 18089
6042 1 14 . 1 1 60 60 GLU N N 60 119.830 119.830 121.324 -1.494 18089
6043 1 14 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.355 -0.285 18089
6044 1 14 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.631 0.639 18089
6045 1 14 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.159 -1.499 18089
6046 1 14 . 1 1 60 60 GLU H H 60 7.430 7.430 7.458 -0.028 18089
6047 1 14 . 1 1 61 61 LEU N N 61 116.920 116.920 120.672 -3.752 18089
6048 1 14 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.100 -0.150 18089
6049 1 14 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.674 -0.404 18089
6050 1 14 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.404 -0.854 18089
6051 1 14 . 1 1 61 61 LEU H H 61 7.580 7.580 8.654 -1.074 18089
6052 1 14 . 1 1 62 62 ASP N N 62 116.060 116.060 118.027 -1.967 18089
6053 1 14 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.427 0.033 18089
6054 1 14 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.575 -0.416 18089
6055 1 14 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.140 0.500 18089
6056 1 14 . 1 1 62 62 ASP H H 62 7.610 7.610 7.986 -0.376 18089
6057 1 14 . 1 1 63 63 GLU N N 63 118.870 118.870 113.415 5.455 18089
6058 1 14 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.361 -0.261 18089
6059 1 14 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.333 0.707 18089
6060 1 14 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.194 -0.144 18089
6061 1 14 . 1 1 63 63 GLU H H 63 8.120 8.120 7.506 0.614 18089
6062 1 14 . 1 1 64 64 ASN N N 64 117.720 117.720 118.304 -0.584 18089
6063 1 14 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.899 0.261 18089
6064 1 14 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.209 -2.279 18089
6065 1 14 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.414 -0.764 18089
6066 1 14 . 1 1 64 64 ASN H H 64 7.720 7.720 8.298 -0.578 18089
6067 1 14 . 1 1 65 65 GLY N N 65 107.110 107.110 109.582 -2.472 18089
6068 1 14 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.720 1.190 18089
6069 1 14 . 1 1 65 65 GLY H H 65 7.750 7.750 7.936 -0.186 18089
6070 1 14 . 1 1 66 66 ASP N N 66 115.600 115.600 119.887 -4.287 18089
6071 1 14 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.777 0.063 18089
6072 1 14 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.102 -0.053 18089
6073 1 14 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.842 -0.242 18089
6074 1 14 . 1 1 66 66 ASP H H 66 8.320 8.320 7.715 0.605 18089
6075 1 14 . 1 1 67 67 GLY N N 67 109.220 109.220 108.643 0.577 18089
6076 1 14 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.668 0.142 18089
6077 1 14 . 1 1 67 67 GLY H H 67 8.260 8.260 7.884 0.376 18089
6078 1 14 . 1 1 68 68 GLU N N 68 117.450 117.450 118.288 -0.838 18089
6079 1 14 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.018 0.232 18089
6080 1 14 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.590 -0.620 18089
6081 1 14 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.376 0.544 18089
6082 1 14 . 1 1 68 68 GLU H H 68 8.500 8.500 8.298 0.202 18089
6083 1 14 . 1 1 69 69 VAL N N 69 115.390 115.390 116.891 -1.501 18089
6084 1 14 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.579 0.391 18089
6085 1 14 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.274 -0.144 18089
6086 1 14 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.837 0.253 18089
6087 1 14 . 1 1 69 69 VAL H H 69 9.190 9.190 9.216 -0.026 18089
6088 1 14 . 1 1 70 70 ASP N N 70 120.970 120.970 117.468 3.502 18089
6089 1 14 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.168 0.402 18089
6090 1 14 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.614 -1.574 18089
6091 1 14 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.919 -1.179 18089
6092 1 14 . 1 1 70 70 ASP H H 70 8.300 8.300 8.047 0.253 18089
6093 1 14 . 1 1 71 71 PHE N N 71 119.360 119.360 120.349 -0.989 18089
6094 1 14 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.120 0.360 18089
6095 1 14 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.593 -0.093 18089
6096 1 14 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.544 1.056 18089
6097 1 14 . 1 1 71 71 PHE H H 71 9.520 9.520 8.901 0.619 18089
6098 1 14 . 1 1 72 72 GLN N N 72 116.880 116.880 119.125 -2.245 18089
6099 1 14 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.518 -0.098 18089
6100 1 14 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.924 1.856 18089
6101 1 14 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.291 0.689 18089
6102 1 14 . 1 1 72 72 GLN H H 72 8.180 8.180 8.425 -0.245 18089
6103 1 14 . 1 1 73 73 GLU N N 73 119.720 119.720 119.774 -0.054 18089
6104 1 14 . 1 1 73 73 GLU HA H 73 3.990 3.990 3.989 0.001 18089
6105 1 14 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.888 0.302 18089
6106 1 14 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.370 1.100 18089
6107 1 14 . 1 1 73 73 GLU H H 73 8.250 8.250 7.797 0.453 18089
6108 1 14 . 1 1 74 74 TYR N N 74 122.440 122.440 120.410 2.030 18089
6109 1 14 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.161 0.179 18089
6110 1 14 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.099 -0.829 18089
6111 1 14 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.216 -1.396 18089
6112 1 14 . 1 1 74 74 TYR H H 74 8.250 8.250 7.723 0.527 18089
6113 1 14 . 1 1 75 75 VAL N N 75 120.220 120.220 117.965 2.255 18089
6114 1 14 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.529 -0.869 18089
6115 1 14 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.267 1.713 18089
6116 1 14 . 1 1 75 75 VAL CB C 75 30.480 30.480 30.999 -0.519 18089
6117 1 14 . 1 1 75 75 VAL H H 75 8.010 8.010 7.261 0.749 18089
6118 1 14 . 1 1 76 76 VAL N N 76 119.350 119.350 120.512 -1.162 18089
6119 1 14 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.690 -0.340 18089
6120 1 14 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.510 1.100 18089
6121 1 14 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.499 0.211 18089
6122 1 14 . 1 1 76 76 VAL H H 76 7.540 7.540 8.104 -0.565 18089
6123 1 14 . 1 1 77 77 LEU N N 77 121.420 121.420 119.818 1.602 18089
6124 1 14 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.819 0.361 18089
6125 1 14 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.369 -0.109 18089
6126 1 14 . 1 1 77 77 LEU CB C 77 41.950 41.950 40.995 0.955 18089
6127 1 14 . 1 1 77 77 LEU H H 77 7.760 7.760 8.304 -0.544 18089
6128 1 14 . 1 1 78 78 VAL N N 78 119.530 119.530 112.111 7.419 18089
6129 1 14 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.666 -0.226 18089
6130 1 14 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.951 2.280 18089
6131 1 14 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.487 -0.077 18089
6132 1 14 . 1 1 78 78 VAL H H 78 8.370 8.370 7.143 1.227 18089
6133 1 14 . 1 1 79 79 ALA N N 79 125.030 125.030 121.774 3.256 18089
6134 1 14 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.009 0.021 18089
6135 1 14 . 1 1 79 79 ALA CA C 79 56.070 56.070 53.927 2.143 18089
6136 1 14 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.929 -0.909 18089
6137 1 14 . 1 1 79 79 ALA H H 79 9.070 9.070 7.123 1.947 18089
6138 1 14 . 1 1 80 80 ALA N N 80 122.060 122.060 121.480 0.580 18089
6139 1 14 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.861 0.129 18089
6140 1 14 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.955 0.425 18089
6141 1 14 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.138 -0.578 18089
6142 1 14 . 1 1 80 80 ALA H H 80 8.350 8.350 8.551 -0.201 18089
6143 1 14 . 1 1 81 81 LEU N N 81 117.650 117.650 116.175 1.475 18089
6144 1 14 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.685 0.365 18089
6145 1 14 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.350 0.340 18089
6146 1 14 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.888 0.942 18089
6147 1 14 . 1 1 81 81 LEU H H 81 8.060 8.060 7.270 0.790 18089
6148 1 14 . 1 1 82 82 THR N N 82 117.560 117.560 114.829 2.731 18089
6149 1 14 . 1 1 82 82 THR HA H 82 3.680 3.680 3.463 0.217 18089
6150 1 14 . 1 1 82 82 THR CA C 82 68.820 68.820 66.248 2.572 18089
6151 1 14 . 1 1 82 82 THR CB C 82 67.570 67.570 68.581 -1.011 18089
6152 1 14 . 1 1 82 82 THR H H 82 8.320 8.320 6.620 1.700 18089
6153 1 14 . 1 1 83 83 VAL N N 83 121.390 121.390 117.571 3.819 18089
6154 1 14 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.596 -0.506 18089
6155 1 14 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.869 -0.749 18089
6156 1 14 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.555 0.324 18089
6157 1 14 . 1 1 83 83 VAL H H 83 8.000 8.000 7.709 0.291 18089
6158 1 14 . 1 1 84 84 ALA N N 84 116.970 116.970 122.931 -5.961 18089
6159 1 14 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.006 0.574 18089
6160 1 14 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.053 -1.413 18089
6161 1 14 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.024 2.796 18089
6162 1 14 . 1 1 84 84 ALA H H 84 7.100 7.100 7.124 -0.024 18089
6163 1 14 . 1 1 85 85 CYS N N 85 112.170 112.170 114.942 -2.772 18089
6164 1 14 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.446 0.094 18089
6165 1 14 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.333 0.997 18089
6166 1 14 . 1 1 85 85 CYS CB C 85 32.390 32.390 26.691 5.699 18089
6167 1 14 . 1 1 85 85 CYS H H 85 7.360 7.360 7.818 -0.458 18089
6168 1 14 . 1 1 86 86 ASN N N 86 118.980 118.980 119.955 -0.975 18089
6169 1 14 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.974 -0.494 18089
6170 1 14 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.689 0.061 18089
6171 1 14 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.357 2.753 18089
6172 1 14 . 1 1 86 86 ASN H H 86 8.440 8.440 7.860 0.580 18089
6173 1 14 . 1 1 87 87 ASN N N 87 124.820 124.820 121.199 3.621 18089
6174 1 14 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.155 0.195 18089
6175 1 14 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.678 0.812 18089
6176 1 14 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.941 0.390 18089
6177 1 14 . 1 1 87 87 ASN H H 87 9.210 9.210 8.410 0.800 18089
6178 1 14 . 1 1 88 88 PHE N N 88 120.560 120.560 120.642 -0.082 18089
6179 1 14 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.389 0.721 18089
6180 1 14 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.112 0.368 18089
6181 1 14 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.764 0.696 18089
6182 1 14 . 1 1 88 88 PHE H H 88 8.690 8.690 7.459 1.231 18089
6183 1 14 . 1 1 89 89 PHE N N 89 112.650 112.650 116.996 -4.346 18089
6184 1 14 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.363 -0.603 18089
6185 1 14 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.374 0.626 18089
6186 1 14 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.330 0.690 18089
6187 1 14 . 1 1 89 89 PHE H H 89 7.440 7.440 8.388 -0.948 18089
6188 1 14 . 1 1 90 90 TRP N N 90 118.650 118.650 120.333 -1.683 18089
6189 1 14 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.618 -0.028 18089
6190 1 14 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.169 2.131 18089
6191 1 14 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.198 5.252 18089
6192 1 14 . 1 1 90 90 TRP H H 90 7.360 7.360 7.669 -0.309 18089
6193 1 14 . 1 1 91 91 GLU N N 91 121.410 121.410 121.471 -0.061 18089
6194 1 14 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.218 0.132 18089
6195 1 14 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.565 -0.074 18089
6196 1 14 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.990 0.480 18089
6197 1 14 . 1 1 91 91 GLU H H 91 7.820 7.820 8.014 -0.194 18089
6198 1 14 . 1 1 92 92 ASN N N 92 120.680 120.680 119.909 0.771 18089
6199 1 14 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.654 0.076 18089
6200 1 14 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.452 -0.632 18089
6201 1 14 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.837 0.173 18089
6202 1 14 . 1 1 92 92 ASN H H 92 8.590 8.590 8.407 0.183 18089
6203 1 15 . 1 1 2 2 SER N N 2 118.700 118.700 117.494 1.206 18089
6204 1 15 . 1 1 2 2 SER HA H 2 4.680 4.680 4.725 -0.045 18089
6205 1 15 . 1 1 2 2 SER CA C 2 57.280 57.280 56.815 0.465 18089
6206 1 15 . 1 1 2 2 SER CB C 2 65.190 65.190 64.876 0.313 18089
6207 1 15 . 1 1 2 2 SER H H 2 9.250 9.250 8.236 1.014 18089
6208 1 15 . 1 1 3 3 GLU N N 3 122.910 122.910 124.969 -2.059 18089
6209 1 15 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.111 -0.001 18089
6210 1 15 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.263 1.217 18089
6211 1 15 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.828 -0.818 18089
6212 1 15 . 1 1 3 3 GLU H H 3 9.250 9.250 8.932 0.318 18089
6213 1 15 . 1 1 4 4 LEU N N 4 121.150 121.150 117.119 4.031 18089
6214 1 15 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.113 -0.063 18089
6215 1 15 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.724 -0.034 18089
6216 1 15 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.376 0.774 18089
6217 1 15 . 1 1 4 4 LEU H H 4 8.940 8.940 8.021 0.919 18089
6218 1 15 . 1 1 5 5 GLU N N 5 118.630 118.630 119.419 -0.789 18089
6219 1 15 . 1 1 5 5 GLU HA H 5 3.240 3.240 3.987 -0.747 18089
6220 1 15 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.403 0.307 18089
6221 1 15 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.521 -0.551 18089
6222 1 15 . 1 1 5 5 GLU H H 5 7.840 7.840 8.360 -0.520 18089
6223 1 15 . 1 1 6 6 THR N N 6 116.040 116.040 115.176 0.864 18089
6224 1 15 . 1 1 6 6 THR HA H 6 4.000 4.000 4.058 -0.058 18089
6225 1 15 . 1 1 6 6 THR CA C 6 66.620 66.620 65.747 0.873 18089
6226 1 15 . 1 1 6 6 THR CB C 6 68.650 68.650 68.367 0.284 18089
6227 1 15 . 1 1 6 6 THR H H 6 8.430 8.430 7.794 0.636 18089
6228 1 15 . 1 1 7 7 ALA N N 7 125.730 125.730 124.680 1.050 18089
6229 1 15 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.135 0.135 18089
6230 1 15 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.008 0.582 18089
6231 1 15 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.634 -0.484 18089
6232 1 15 . 1 1 7 7 ALA H H 7 8.290 8.290 7.141 1.149 18089
6233 1 15 . 1 1 8 8 MET N N 8 115.120 115.120 115.983 -0.863 18089
6234 1 15 . 1 1 8 8 MET HA H 8 4.870 4.870 4.173 0.697 18089
6235 1 15 . 1 1 8 8 MET CA C 8 56.540 56.540 58.844 -2.304 18089
6236 1 15 . 1 1 8 8 MET CB C 8 28.950 28.950 31.956 -3.006 18089
6237 1 15 . 1 1 8 8 MET H H 8 8.100 8.100 7.565 0.535 18089
6238 1 15 . 1 1 9 9 GLU N N 9 120.560 120.560 118.920 1.640 18089
6239 1 15 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.049 0.061 18089
6240 1 15 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.407 1.073 18089
6241 1 15 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.884 -0.044 18089
6242 1 15 . 1 1 9 9 GLU H H 9 8.710 8.710 7.955 0.755 18089
6243 1 15 . 1 1 10 10 THR N N 10 118.800 118.800 113.237 5.563 18089
6244 1 15 . 1 1 10 10 THR HA H 10 4.120 4.120 4.139 -0.019 18089
6245 1 15 . 1 1 10 10 THR CA C 10 67.230 67.230 65.185 2.045 18089
6246 1 15 . 1 1 10 10 THR CB C 10 67.570 67.570 68.761 -1.191 18089
6247 1 15 . 1 1 10 10 THR H H 10 8.470 8.470 7.743 0.727 18089
6248 1 15 . 1 1 11 11 LEU N N 11 121.860 121.860 120.951 0.909 18089
6249 1 15 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.273 -0.163 18089
6250 1 15 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.861 2.619 18089
6251 1 15 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.717 1.223 18089
6252 1 15 . 1 1 11 11 LEU H H 11 8.340 8.340 7.801 0.539 18089
6253 1 15 . 1 1 12 12 ILE N N 12 121.270 121.270 118.160 3.110 18089
6254 1 15 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.110 -0.560 18089
6255 1 15 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.870 1.290 18089
6256 1 15 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.693 0.707 18089
6257 1 15 . 1 1 12 12 ILE H H 12 8.480 8.480 8.011 0.469 18089
6258 1 15 . 1 1 13 13 ASN N N 13 120.510 120.510 120.014 0.496 18089
6259 1 15 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.491 -0.141 18089
6260 1 15 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.353 0.137 18089
6261 1 15 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.699 0.241 18089
6262 1 15 . 1 1 13 13 ASN H H 13 8.690 8.690 8.608 0.082 18089
6263 1 15 . 1 1 14 14 VAL N N 14 121.990 121.990 118.665 3.325 18089
6264 1 15 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.946 -0.076 18089
6265 1 15 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.650 1.900 18089
6266 1 15 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.360 -0.650 18089
6267 1 15 . 1 1 14 14 VAL H H 14 8.880 8.880 7.400 1.480 18089
6268 1 15 . 1 1 15 15 PHE N N 15 120.470 120.470 120.604 -0.134 18089
6269 1 15 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.650 -0.080 18089
6270 1 15 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.185 1.295 18089
6271 1 15 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.092 0.408 18089
6272 1 15 . 1 1 15 15 PHE H H 15 7.480 7.480 7.921 -0.441 18089
6273 1 15 . 1 1 16 16 HIS N N 16 118.280 118.280 116.782 1.498 18089
6274 1 15 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.348 0.902 18089
6275 1 15 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.162 -2.192 18089
6276 1 15 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.328 -0.198 18089
6277 1 15 . 1 1 16 16 HIS H H 16 9.270 9.270 8.332 0.938 18089
6278 1 15 . 1 1 17 17 ALA N N 17 121.080 121.080 123.336 -2.256 18089
6279 1 15 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.837 0.003 18089
6280 1 15 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.148 0.292 18089
6281 1 15 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.520 -0.920 18089
6282 1 15 . 1 1 17 17 ALA H H 17 8.160 8.160 7.100 1.060 18089
6283 1 15 . 1 1 18 18 HIS N N 18 112.570 112.570 115.154 -2.584 18089
6284 1 15 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.646 -0.296 18089
6285 1 15 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.760 1.730 18089
6286 1 15 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.171 1.819 18089
6287 1 15 . 1 1 18 18 HIS H H 18 7.410 7.410 7.525 -0.115 18089
6288 1 15 . 1 1 19 19 SER HA H 19 4.110 4.110 4.270 -0.160 18089
6289 1 15 . 1 1 19 19 SER CA C 19 60.480 60.480 58.264 2.216 18089
6290 1 15 . 1 1 19 19 SER CB C 19 61.800 61.800 64.106 -2.306 18089
6291 1 15 . 1 1 20 20 GLY N N 20 106.720 106.720 113.732 -7.012 18089
6292 1 15 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.221 0.019 18089
6293 1 15 . 1 1 20 20 GLY H H 20 8.260 8.260 8.646 -0.386 18089
6294 1 15 . 1 1 21 21 LYS N N 21 120.240 120.240 120.887 -0.647 18089
6295 1 15 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.034 -0.044 18089
6296 1 15 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.391 0.069 18089
6297 1 15 . 1 1 21 21 LYS CB C 21 32.500 32.500 31.963 0.537 18089
6298 1 15 . 1 1 21 21 LYS H H 21 7.640 7.640 8.078 -0.438 18089
6299 1 15 . 1 1 22 22 GLU N N 22 117.060 117.060 117.647 -0.587 18089
6300 1 15 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.213 0.217 18089
6301 1 15 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.550 -1.170 18089
6302 1 15 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.942 1.098 18089
6303 1 15 . 1 1 22 22 GLU H H 22 7.840 7.840 8.263 -0.423 18089
6304 1 15 . 1 1 23 23 GLY N N 23 107.770 107.770 106.972 0.798 18089
6305 1 15 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.945 0.885 18089
6306 1 15 . 1 1 23 23 GLY H H 23 8.100 8.100 7.752 0.348 18089
6307 1 15 . 1 1 24 24 ASP N N 24 122.990 122.990 119.780 3.210 18089
6308 1 15 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.976 -0.396 18089
6309 1 15 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.937 0.673 18089
6310 1 15 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.985 -1.625 18089
6311 1 15 . 1 1 24 24 ASP H H 24 8.190 8.190 7.928 0.262 18089
6312 1 15 . 1 1 25 25 LYS N N 25 124.920 124.920 120.017 4.903 18089
6313 1 15 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.304 -0.214 18089
6314 1 15 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.306 0.064 18089
6315 1 15 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.851 -0.841 18089
6316 1 15 . 1 1 25 25 LYS H H 25 8.440 8.440 8.563 -0.123 18089
6317 1 15 . 1 1 26 26 TYR N N 26 117.220 117.220 117.370 -0.150 18089
6318 1 15 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.696 0.424 18089
6319 1 15 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.605 -0.225 18089
6320 1 15 . 1 1 26 26 TYR CB C 26 37.700 37.700 39.032 -1.331 18089
6321 1 15 . 1 1 26 26 TYR H H 26 8.490 8.490 7.922 0.568 18089
6322 1 15 . 1 1 27 27 LYS N N 27 118.300 118.300 118.035 0.265 18089
6323 1 15 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.503 -0.013 18089
6324 1 15 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.242 -0.422 18089
6325 1 15 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.091 0.369 18089
6326 1 15 . 1 1 27 27 LYS H H 27 7.870 7.870 7.326 0.544 18089
6327 1 15 . 1 1 28 28 LEU N N 28 121.380 121.380 118.050 3.330 18089
6328 1 15 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.618 0.112 18089
6329 1 15 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.254 -1.433 18089
6330 1 15 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.740 0.630 18089
6331 1 15 . 1 1 28 28 LEU H H 28 8.830 8.830 8.967 -0.137 18089
6332 1 15 . 1 1 29 29 SER N N 29 120.620 120.620 114.480 6.140 18089
6333 1 15 . 1 1 29 29 SER HA H 29 5.030 5.030 4.818 0.212 18089
6334 1 15 . 1 1 29 29 SER CA C 29 57.890 57.890 56.840 1.050 18089
6335 1 15 . 1 1 29 29 SER CB C 29 64.270 64.270 65.264 -0.994 18089
6336 1 15 . 1 1 29 29 SER H H 29 8.940 8.940 8.629 0.311 18089
6337 1 15 . 1 1 30 30 LYS N N 30 124.430 124.430 124.818 -0.388 18089
6338 1 15 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.012 -0.142 18089
6339 1 15 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.781 0.849 18089
6340 1 15 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.415 -0.705 18089
6341 1 15 . 1 1 30 30 LYS H H 30 8.820 8.820 9.063 -0.243 18089
6342 1 15 . 1 1 31 31 LYS N N 31 120.230 120.230 117.240 2.990 18089
6343 1 15 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.983 0.187 18089
6344 1 15 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.261 0.079 18089
6345 1 15 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.649 0.851 18089
6346 1 15 . 1 1 31 31 LYS H H 31 8.730 8.730 8.302 0.428 18089
6347 1 15 . 1 1 32 32 GLU N N 32 121.570 121.570 120.511 1.059 18089
6348 1 15 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.188 -0.088 18089
6349 1 15 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.309 -0.269 18089
6350 1 15 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.466 -0.796 18089
6351 1 15 . 1 1 32 32 GLU H H 32 7.780 7.780 7.535 0.245 18089
6352 1 15 . 1 1 33 33 LEU N N 33 121.620 121.620 120.608 1.012 18089
6353 1 15 . 1 1 33 33 LEU HA H 33 4.000 4.000 4.008 -0.008 18089
6354 1 15 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.855 -0.565 18089
6355 1 15 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.990 -1.490 18089
6356 1 15 . 1 1 33 33 LEU H H 33 8.910 8.910 7.709 1.201 18089
6357 1 15 . 1 1 34 34 LYS N N 34 120.460 120.460 119.053 1.407 18089
6358 1 15 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.999 -0.379 18089
6359 1 15 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.605 1.335 18089
6360 1 15 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.218 -0.808 18089
6361 1 15 . 1 1 34 34 LYS H H 34 8.440 8.440 8.533 -0.093 18089
6362 1 15 . 1 1 35 35 GLU N N 35 117.190 117.190 119.414 -2.224 18089
6363 1 15 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.428 -0.358 18089
6364 1 15 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.840 0.430 18089
6365 1 15 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.795 -0.765 18089
6366 1 15 . 1 1 35 35 GLU H H 35 7.200 7.200 7.613 -0.413 18089
6367 1 15 . 1 1 36 36 LEU N N 36 122.760 122.760 118.268 4.492 18089
6368 1 15 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.161 -0.401 18089
6369 1 15 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.690 1.310 18089
6370 1 15 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.441 0.839 18089
6371 1 15 . 1 1 36 36 LEU H H 36 8.310 8.310 7.775 0.535 18089
6372 1 15 . 1 1 37 37 LEU N N 37 120.220 120.220 119.034 1.186 18089
6373 1 15 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.342 -0.662 18089
6374 1 15 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.431 0.889 18089
6375 1 15 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.584 -1.064 18089
6376 1 15 . 1 1 37 37 LEU H H 37 8.820 8.820 8.386 0.434 18089
6377 1 15 . 1 1 38 38 GLN N N 38 113.470 113.470 116.993 -3.523 18089
6378 1 15 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.173 -0.413 18089
6379 1 15 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.143 0.857 18089
6380 1 15 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.362 0.498 18089
6381 1 15 . 1 1 38 38 GLN H H 38 8.110 8.110 7.982 0.128 18089
6382 1 15 . 1 1 39 39 THR N N 39 109.960 109.960 113.263 -3.303 18089
6383 1 15 . 1 1 39 39 THR HA H 39 4.290 4.290 4.316 -0.026 18089
6384 1 15 . 1 1 39 39 THR CA C 39 64.560 64.560 64.001 0.559 18089
6385 1 15 . 1 1 39 39 THR CB C 39 69.750 69.750 69.355 0.395 18089
6386 1 15 . 1 1 39 39 THR H H 39 7.720 7.720 7.611 0.109 18089
6387 1 15 . 1 1 40 40 GLU N N 40 118.420 118.420 119.141 -0.721 18089
6388 1 15 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.402 0.318 18089
6389 1 15 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.807 -0.017 18089
6390 1 15 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.135 -1.935 18089
6391 1 15 . 1 1 40 40 GLU H H 40 9.020 9.020 7.904 1.116 18089
6392 1 15 . 1 1 41 41 LEU N N 41 119.120 119.120 120.677 -1.557 18089
6393 1 15 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.595 0.535 18089
6394 1 15 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.594 -0.434 18089
6395 1 15 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.735 -0.695 18089
6396 1 15 . 1 1 41 41 LEU H H 41 7.760 7.760 7.723 0.037 18089
6397 1 15 . 1 1 42 42 SER N N 42 112.960 112.960 116.194 -3.234 18089
6398 1 15 . 1 1 42 42 SER HA H 42 3.870 3.870 4.404 -0.534 18089
6399 1 15 . 1 1 42 42 SER CA C 42 61.630 61.630 57.874 3.756 18089
6400 1 15 . 1 1 42 42 SER CB C 42 62.790 62.790 61.904 0.886 18089
6401 1 15 . 1 1 42 42 SER H H 42 6.940 6.940 8.222 -1.282 18089
6402 1 15 . 1 1 43 43 GLY N N 43 114.580 114.580 112.787 1.793 18089
6403 1 15 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.930 0.850 18089
6404 1 15 . 1 1 43 43 GLY H H 43 9.250 9.250 8.828 0.422 18089
6405 1 15 . 1 1 44 44 PHE N N 44 124.560 124.560 119.018 5.542 18089
6406 1 15 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.416 0.174 18089
6407 1 15 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.502 -2.022 18089
6408 1 15 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.361 -2.411 18089
6409 1 15 . 1 1 44 44 PHE H H 44 8.320 8.320 7.546 0.774 18089
6410 1 15 . 1 1 45 45 LEU N N 45 116.140 116.140 120.024 -3.884 18089
6411 1 15 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.027 0.143 18089
6412 1 15 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.756 -0.386 18089
6413 1 15 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.776 0.474 18089
6414 1 15 . 1 1 45 45 LEU H H 45 8.650 8.650 8.141 0.509 18089
6415 1 15 . 1 1 46 46 ASP N N 46 119.960 119.960 116.205 3.755 18089
6416 1 15 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.518 0.192 18089
6417 1 15 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.139 0.501 18089
6418 1 15 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.942 0.578 18089
6419 1 15 . 1 1 46 46 ASP H H 46 7.730 7.730 7.741 -0.011 18089
6420 1 15 . 1 1 47 47 ALA N N 47 124.260 124.260 121.621 2.639 18089
6421 1 15 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.568 0.052 18089
6422 1 15 . 1 1 47 47 ALA CA C 47 50.510 50.510 51.768 -1.258 18089
6423 1 15 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.368 -1.518 18089
6424 1 15 . 1 1 47 47 ALA H H 47 7.740 7.740 7.657 0.083 18089
6425 1 15 . 1 1 48 48 GLN N N 48 117.380 117.380 123.706 -6.326 18089
6426 1 15 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.435 -0.345 18089
6427 1 15 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.385 1.986 18089
6428 1 15 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.478 0.992 18089
6429 1 15 . 1 1 48 48 GLN H H 48 7.650 7.650 8.536 -0.886 18089
6430 1 15 . 1 1 49 49 LYS N N 49 121.400 121.400 123.001 -1.601 18089
6431 1 15 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.285 -0.155 18089
6432 1 15 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.560 -0.320 18089
6433 1 15 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.867 -1.947 18089
6434 1 15 . 1 1 49 49 LYS H H 49 8.000 8.000 8.556 -0.556 18089
6435 1 15 . 1 1 50 50 ASP N N 50 119.180 119.180 123.334 -4.154 18089
6436 1 15 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.783 -0.123 18089
6437 1 15 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.771 -2.171 18089
6438 1 15 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.530 0.330 18089
6439 1 15 . 1 1 50 50 ASP H H 50 7.500 7.500 7.802 -0.302 18089
6440 1 15 . 1 1 51 51 VAL N N 51 122.100 122.100 122.892 -0.792 18089
6441 1 15 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.621 0.239 18089
6442 1 15 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.399 -1.649 18089
6443 1 15 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.461 0.509 18089
6444 1 15 . 1 1 51 51 VAL H H 51 7.670 7.670 8.668 -0.998 18089
6445 1 15 . 1 1 52 52 ASP N N 52 119.490 119.490 120.175 -0.685 18089
6446 1 15 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.376 -0.026 18089
6447 1 15 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.565 -0.405 18089
6448 1 15 . 1 1 52 52 ASP CB C 52 40.600 40.600 39.991 0.609 18089
6449 1 15 . 1 1 52 52 ASP H H 52 8.130 8.130 8.424 -0.294 18089
6450 1 15 . 1 1 53 53 ALA N N 53 122.220 122.220 122.112 0.108 18089
6451 1 15 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.259 -0.239 18089
6452 1 15 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.944 -0.384 18089
6453 1 15 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.781 -0.041 18089
6454 1 15 . 1 1 53 53 ALA H H 53 7.540 7.540 7.799 -0.259 18089
6455 1 15 . 1 1 54 54 VAL N N 54 118.080 118.080 118.651 -0.571 18089
6456 1 15 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.529 -0.179 18089
6457 1 15 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.622 -0.042 18089
6458 1 15 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.514 0.206 18089
6459 1 15 . 1 1 54 54 VAL H H 54 7.310 7.310 8.307 -0.997 18089
6460 1 15 . 1 1 55 55 ASP N N 55 119.630 119.630 119.530 0.100 18089
6461 1 15 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.471 -0.191 18089
6462 1 15 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.029 0.351 18089
6463 1 15 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.720 0.190 18089
6464 1 15 . 1 1 55 55 ASP H H 55 8.530 8.530 8.724 -0.194 18089
6465 1 15 . 1 1 56 56 LYS N N 56 118.060 118.060 119.980 -1.920 18089
6466 1 15 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.067 -0.137 18089
6467 1 15 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.479 0.341 18089
6468 1 15 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.660 -0.160 18089
6469 1 15 . 1 1 56 56 LYS H H 56 7.950 7.950 7.479 0.471 18089
6470 1 15 . 1 1 57 57 VAL N N 57 119.310 119.310 120.346 -1.036 18089
6471 1 15 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.842 -0.122 18089
6472 1 15 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.914 1.146 18089
6473 1 15 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.935 0.155 18089
6474 1 15 . 1 1 57 57 VAL H H 57 7.280 7.280 7.884 -0.604 18089
6475 1 15 . 1 1 58 58 MET N N 58 115.980 115.980 119.309 -3.329 18089
6476 1 15 . 1 1 58 58 MET HA H 58 4.090 4.090 4.125 -0.035 18089
6477 1 15 . 1 1 58 58 MET CA C 58 57.370 57.370 58.862 -1.492 18089
6478 1 15 . 1 1 58 58 MET CB C 58 31.310 31.310 31.843 -0.533 18089
6479 1 15 . 1 1 58 58 MET H H 58 8.360 8.360 7.748 0.612 18089
6480 1 15 . 1 1 59 59 LYS N N 59 118.900 118.900 117.002 1.898 18089
6481 1 15 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.145 -0.075 18089
6482 1 15 . 1 1 59 59 LYS CA C 59 59.270 59.270 58.959 0.311 18089
6483 1 15 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.770 0.740 18089
6484 1 15 . 1 1 59 59 LYS H H 59 8.620 8.620 7.612 1.008 18089
6485 1 15 . 1 1 60 60 GLU N N 60 119.830 119.830 120.732 -0.902 18089
6486 1 15 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.266 -0.196 18089
6487 1 15 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.837 0.433 18089
6488 1 15 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.017 -1.357 18089
6489 1 15 . 1 1 60 60 GLU H H 60 7.430 7.430 7.380 0.050 18089
6490 1 15 . 1 1 61 61 LEU N N 61 116.920 116.920 119.658 -2.738 18089
6491 1 15 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.173 -0.224 18089
6492 1 15 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.352 -0.082 18089
6493 1 15 . 1 1 61 61 LEU CB C 61 40.550 40.550 42.055 -1.505 18089
6494 1 15 . 1 1 61 61 LEU H H 61 7.580 7.580 8.517 -0.937 18089
6495 1 15 . 1 1 62 62 ASP N N 62 116.060 116.060 117.446 -1.386 18089
6496 1 15 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.408 0.052 18089
6497 1 15 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.925 -0.765 18089
6498 1 15 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.761 0.879 18089
6499 1 15 . 1 1 62 62 ASP H H 62 7.610 7.610 7.942 -0.332 18089
6500 1 15 . 1 1 63 63 GLU N N 63 118.870 118.870 115.925 2.945 18089
6501 1 15 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.379 -0.279 18089
6502 1 15 . 1 1 63 63 GLU CA C 63 58.040 58.040 56.567 1.473 18089
6503 1 15 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.371 0.679 18089
6504 1 15 . 1 1 63 63 GLU H H 63 8.120 8.120 7.660 0.460 18089
6505 1 15 . 1 1 64 64 ASN N N 64 117.720 117.720 117.592 0.128 18089
6506 1 15 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.976 0.184 18089
6507 1 15 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.789 -1.859 18089
6508 1 15 . 1 1 64 64 ASN CB C 64 38.650 38.650 41.181 -2.531 18089
6509 1 15 . 1 1 64 64 ASN H H 64 7.720 7.720 7.847 -0.127 18089
6510 1 15 . 1 1 65 65 GLY N N 65 107.110 107.110 109.761 -2.651 18089
6511 1 15 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.314 0.596 18089
6512 1 15 . 1 1 65 65 GLY H H 65 7.750 7.750 7.980 -0.230 18089
6513 1 15 . 1 1 66 66 ASP N N 66 115.600 115.600 118.290 -2.690 18089
6514 1 15 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.680 0.160 18089
6515 1 15 . 1 1 66 66 ASP CA C 66 54.050 54.050 53.439 0.611 18089
6516 1 15 . 1 1 66 66 ASP CB C 66 40.600 40.600 39.935 0.665 18089
6517 1 15 . 1 1 66 66 ASP H H 66 8.320 8.320 7.709 0.611 18089
6518 1 15 . 1 1 67 67 GLY N N 67 109.220 109.220 109.169 0.051 18089
6519 1 15 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.428 0.382 18089
6520 1 15 . 1 1 67 67 GLY H H 67 8.260 8.260 8.230 0.030 18089
6521 1 15 . 1 1 68 68 GLU N N 68 117.450 117.450 118.195 -0.745 18089
6522 1 15 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.265 -0.015 18089
6523 1 15 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.221 -0.251 18089
6524 1 15 . 1 1 68 68 GLU CB C 68 33.920 33.920 33.436 0.484 18089
6525 1 15 . 1 1 68 68 GLU H H 68 8.500 8.500 8.233 0.267 18089
6526 1 15 . 1 1 69 69 VAL N N 69 115.390 115.390 114.251 1.139 18089
6527 1 15 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.599 0.371 18089
6528 1 15 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.831 -0.701 18089
6529 1 15 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.311 -0.221 18089
6530 1 15 . 1 1 69 69 VAL H H 69 9.190 9.190 9.115 0.075 18089
6531 1 15 . 1 1 70 70 ASP N N 70 120.970 120.970 117.752 3.218 18089
6532 1 15 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.137 0.433 18089
6533 1 15 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.636 -1.596 18089
6534 1 15 . 1 1 70 70 ASP CB C 70 42.740 42.740 44.056 -1.315 18089
6535 1 15 . 1 1 70 70 ASP H H 70 8.300 8.300 7.938 0.362 18089
6536 1 15 . 1 1 71 71 PHE N N 71 119.360 119.360 119.428 -0.068 18089
6537 1 15 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.116 0.364 18089
6538 1 15 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.866 -0.366 18089
6539 1 15 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.737 0.863 18089
6540 1 15 . 1 1 71 71 PHE H H 71 9.520 9.520 9.019 0.501 18089
6541 1 15 . 1 1 72 72 GLN N N 72 116.880 116.880 118.557 -1.677 18089
6542 1 15 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.802 -0.382 18089
6543 1 15 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.905 1.875 18089
6544 1 15 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.440 0.540 18089
6545 1 15 . 1 1 72 72 GLN H H 72 8.180 8.180 8.136 0.044 18089
6546 1 15 . 1 1 73 73 GLU N N 73 119.720 119.720 119.519 0.201 18089
6547 1 15 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.030 -0.040 18089
6548 1 15 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.822 0.367 18089
6549 1 15 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.443 1.027 18089
6550 1 15 . 1 1 73 73 GLU H H 73 8.250 8.250 8.059 0.191 18089
6551 1 15 . 1 1 74 74 TYR N N 74 122.440 122.440 120.738 1.702 18089
6552 1 15 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.148 0.192 18089
6553 1 15 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.097 -0.827 18089
6554 1 15 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.125 -1.305 18089
6555 1 15 . 1 1 74 74 TYR H H 74 8.250 8.250 8.121 0.129 18089
6556 1 15 . 1 1 75 75 VAL N N 75 120.220 120.220 117.686 2.534 18089
6557 1 15 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.325 -0.665 18089
6558 1 15 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.876 1.104 18089
6559 1 15 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.504 -1.024 18089
6560 1 15 . 1 1 75 75 VAL H H 75 8.010 8.010 7.546 0.464 18089
6561 1 15 . 1 1 76 76 VAL N N 76 119.350 119.350 120.409 -1.059 18089
6562 1 15 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.680 -0.330 18089
6563 1 15 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.513 1.097 18089
6564 1 15 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.658 0.052 18089
6565 1 15 . 1 1 76 76 VAL H H 76 7.540 7.540 7.891 -0.351 18089
6566 1 15 . 1 1 77 77 LEU N N 77 121.420 121.420 120.059 1.361 18089
6567 1 15 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.809 0.371 18089
6568 1 15 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.501 -0.241 18089
6569 1 15 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.336 0.614 18089
6570 1 15 . 1 1 77 77 LEU H H 77 7.760 7.760 8.512 -0.752 18089
6571 1 15 . 1 1 78 78 VAL N N 78 119.530 119.530 113.053 6.477 18089
6572 1 15 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.736 -0.296 18089
6573 1 15 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.327 1.903 18089
6574 1 15 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.644 0.766 18089
6575 1 15 . 1 1 78 78 VAL H H 78 8.370 8.370 7.219 1.151 18089
6576 1 15 . 1 1 79 79 ALA N N 79 125.030 125.030 123.599 1.431 18089
6577 1 15 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.122 -0.092 18089
6578 1 15 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.148 1.922 18089
6579 1 15 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.434 -0.414 18089
6580 1 15 . 1 1 79 79 ALA H H 79 9.070 9.070 7.728 1.342 18089
6581 1 15 . 1 1 80 80 ALA N N 80 122.060 122.060 121.716 0.344 18089
6582 1 15 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.859 0.131 18089
6583 1 15 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.000 0.380 18089
6584 1 15 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.138 -0.578 18089
6585 1 15 . 1 1 80 80 ALA H H 80 8.350 8.350 8.516 -0.166 18089
6586 1 15 . 1 1 81 81 LEU N N 81 117.650 117.650 116.223 1.427 18089
6587 1 15 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.737 0.313 18089
6588 1 15 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.116 0.574 18089
6589 1 15 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.292 0.538 18089
6590 1 15 . 1 1 81 81 LEU H H 81 8.060 8.060 7.379 0.681 18089
6591 1 15 . 1 1 82 82 THR N N 82 117.560 117.560 115.243 2.317 18089
6592 1 15 . 1 1 82 82 THR HA H 82 3.680 3.680 2.794 0.886 18089
6593 1 15 . 1 1 82 82 THR CA C 82 68.820 68.820 66.269 2.551 18089
6594 1 15 . 1 1 82 82 THR CB C 82 67.570 67.570 67.994 -0.424 18089
6595 1 15 . 1 1 82 82 THR H H 82 8.320 8.320 6.894 1.426 18089
6596 1 15 . 1 1 83 83 VAL N N 83 121.390 121.390 116.743 4.647 18089
6597 1 15 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.598 -0.508 18089
6598 1 15 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.415 -0.295 18089
6599 1 15 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.987 -0.107 18089
6600 1 15 . 1 1 83 83 VAL H H 83 8.000 8.000 7.515 0.485 18089
6601 1 15 . 1 1 84 84 ALA N N 84 116.970 116.970 122.284 -5.314 18089
6602 1 15 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.012 0.568 18089
6603 1 15 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.770 -1.129 18089
6604 1 15 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.378 2.442 18089
6605 1 15 . 1 1 84 84 ALA H H 84 7.100 7.100 7.613 -0.513 18089
6606 1 15 . 1 1 85 85 CYS N N 85 112.170 112.170 114.833 -2.663 18089
6607 1 15 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.447 0.093 18089
6608 1 15 . 1 1 85 85 CYS CA C 85 60.330 60.330 58.277 2.053 18089
6609 1 15 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.285 4.105 18089
6610 1 15 . 1 1 85 85 CYS H H 85 7.360 7.360 7.622 -0.262 18089
6611 1 15 . 1 1 86 86 ASN N N 86 118.980 118.980 120.721 -1.741 18089
6612 1 15 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.802 -0.322 18089
6613 1 15 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.520 -1.770 18089
6614 1 15 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.918 3.192 18089
6615 1 15 . 1 1 86 86 ASN H H 86 8.440 8.440 8.595 -0.155 18089
6616 1 15 . 1 1 87 87 ASN N N 87 124.820 124.820 119.487 5.333 18089
6617 1 15 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.200 0.149 18089
6618 1 15 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.359 1.131 18089
6619 1 15 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.674 0.656 18089
6620 1 15 . 1 1 87 87 ASN H H 87 9.210 9.210 7.383 1.827 18089
6621 1 15 . 1 1 88 88 PHE N N 88 120.560 120.560 120.654 -0.094 18089
6622 1 15 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.132 0.978 18089
6623 1 15 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.895 0.585 18089
6624 1 15 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.547 0.913 18089
6625 1 15 . 1 1 88 88 PHE H H 88 8.690 8.690 7.526 1.164 18089
6626 1 15 . 1 1 89 89 PHE N N 89 112.650 112.650 116.959 -4.309 18089
6627 1 15 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.190 -0.430 18089
6628 1 15 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.642 0.358 18089
6629 1 15 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.060 0.960 18089
6630 1 15 . 1 1 89 89 PHE H H 89 7.440 7.440 7.793 -0.353 18089
6631 1 15 . 1 1 90 90 TRP N N 90 118.650 118.650 117.695 0.955 18089
6632 1 15 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.517 0.073 18089
6633 1 15 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.983 1.317 18089
6634 1 15 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.145 4.305 18089
6635 1 15 . 1 1 90 90 TRP H H 90 7.360 7.360 7.285 0.075 18089
6636 1 15 . 1 1 91 91 GLU N N 91 121.410 121.410 120.416 0.994 18089
6637 1 15 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.122 0.228 18089
6638 1 15 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.667 -0.177 18089
6639 1 15 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.102 0.368 18089
6640 1 15 . 1 1 91 91 GLU H H 91 7.820 7.820 7.974 -0.154 18089
6641 1 15 . 1 1 92 92 ASN N N 92 120.680 120.680 120.314 0.366 18089
6642 1 15 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.701 0.029 18089
6643 1 15 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.793 -0.973 18089
6644 1 15 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.673 0.337 18089
6645 1 15 . 1 1 92 92 ASN H H 92 8.590 8.590 8.559 0.031 18089
6646 1 16 . 1 1 2 2 SER N N 2 118.700 118.700 116.202 2.498 18089
6647 1 16 . 1 1 2 2 SER HA H 2 4.680 4.680 4.418 0.262 18089
6648 1 16 . 1 1 2 2 SER CA C 2 57.280 57.280 57.992 -0.712 18089
6649 1 16 . 1 1 2 2 SER CB C 2 65.190 65.190 64.649 0.541 18089
6650 1 16 . 1 1 2 2 SER H H 2 9.250 9.250 8.247 1.003 18089
6651 1 16 . 1 1 3 3 GLU N N 3 122.910 122.910 121.834 1.076 18089
6652 1 16 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.043 0.067 18089
6653 1 16 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.421 1.059 18089
6654 1 16 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.676 -0.666 18089
6655 1 16 . 1 1 3 3 GLU H H 3 9.250 9.250 8.779 0.471 18089
6656 1 16 . 1 1 4 4 LEU N N 4 121.150 121.150 116.827 4.323 18089
6657 1 16 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.175 -0.125 18089
6658 1 16 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.546 0.144 18089
6659 1 16 . 1 1 4 4 LEU CB C 4 42.150 42.150 40.962 1.188 18089
6660 1 16 . 1 1 4 4 LEU H H 4 8.940 8.940 7.888 1.052 18089
6661 1 16 . 1 1 5 5 GLU N N 5 118.630 118.630 119.935 -1.305 18089
6662 1 16 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.049 -0.809 18089
6663 1 16 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.077 0.633 18089
6664 1 16 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.960 0.010 18089
6665 1 16 . 1 1 5 5 GLU H H 5 7.840 7.840 8.483 -0.643 18089
6666 1 16 . 1 1 6 6 THR N N 6 116.040 116.040 115.003 1.037 18089
6667 1 16 . 1 1 6 6 THR HA H 6 4.000 4.000 4.081 -0.081 18089
6668 1 16 . 1 1 6 6 THR CA C 6 66.620 66.620 65.455 1.165 18089
6669 1 16 . 1 1 6 6 THR CB C 6 68.650 68.650 68.186 0.464 18089
6670 1 16 . 1 1 6 6 THR H H 6 8.430 8.430 7.807 0.623 18089
6671 1 16 . 1 1 7 7 ALA N N 7 125.730 125.730 125.075 0.655 18089
6672 1 16 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.062 0.208 18089
6673 1 16 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.089 0.501 18089
6674 1 16 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.368 -0.218 18089
6675 1 16 . 1 1 7 7 ALA H H 7 8.290 8.290 7.300 0.990 18089
6676 1 16 . 1 1 8 8 MET N N 8 115.120 115.120 116.115 -0.995 18089
6677 1 16 . 1 1 8 8 MET HA H 8 4.870 4.870 4.157 0.713 18089
6678 1 16 . 1 1 8 8 MET CA C 8 56.540 56.540 58.917 -2.377 18089
6679 1 16 . 1 1 8 8 MET CB C 8 28.950 28.950 31.992 -3.042 18089
6680 1 16 . 1 1 8 8 MET H H 8 8.100 8.100 7.546 0.554 18089
6681 1 16 . 1 1 9 9 GLU N N 9 120.560 120.560 118.727 1.833 18089
6682 1 16 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.014 0.096 18089
6683 1 16 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.490 0.990 18089
6684 1 16 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.993 -0.153 18089
6685 1 16 . 1 1 9 9 GLU H H 9 8.710 8.710 8.010 0.700 18089
6686 1 16 . 1 1 10 10 THR N N 10 118.800 118.800 113.410 5.390 18089
6687 1 16 . 1 1 10 10 THR HA H 10 4.120 4.120 4.176 -0.056 18089
6688 1 16 . 1 1 10 10 THR CA C 10 67.230 67.230 65.298 1.932 18089
6689 1 16 . 1 1 10 10 THR CB C 10 67.570 67.570 68.645 -1.075 18089
6690 1 16 . 1 1 10 10 THR H H 10 8.470 8.470 7.776 0.694 18089
6691 1 16 . 1 1 11 11 LEU N N 11 121.860 121.860 120.801 1.059 18089
6692 1 16 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.280 -0.170 18089
6693 1 16 . 1 1 11 11 LEU CA C 11 60.480 60.480 58.008 2.472 18089
6694 1 16 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.869 1.071 18089
6695 1 16 . 1 1 11 11 LEU H H 11 8.340 8.340 7.714 0.626 18089
6696 1 16 . 1 1 12 12 ILE N N 12 121.270 121.270 118.079 3.191 18089
6697 1 16 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.172 -0.622 18089
6698 1 16 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.545 1.615 18089
6699 1 16 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.844 0.556 18089
6700 1 16 . 1 1 12 12 ILE H H 12 8.480 8.480 7.781 0.699 18089
6701 1 16 . 1 1 13 13 ASN N N 13 120.510 120.510 120.310 0.200 18089
6702 1 16 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.489 -0.139 18089
6703 1 16 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.333 0.157 18089
6704 1 16 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.765 0.175 18089
6705 1 16 . 1 1 13 13 ASN H H 13 8.690 8.690 8.514 0.176 18089
6706 1 16 . 1 1 14 14 VAL N N 14 121.990 121.990 118.174 3.816 18089
6707 1 16 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.961 -0.091 18089
6708 1 16 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.832 1.718 18089
6709 1 16 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.628 -0.918 18089
6710 1 16 . 1 1 14 14 VAL H H 14 8.880 8.880 7.441 1.439 18089
6711 1 16 . 1 1 15 15 PHE N N 15 120.470 120.470 120.062 0.408 18089
6712 1 16 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.738 -0.168 18089
6713 1 16 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.036 1.444 18089
6714 1 16 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.175 0.325 18089
6715 1 16 . 1 1 15 15 PHE H H 15 7.480 7.480 7.807 -0.327 18089
6716 1 16 . 1 1 16 16 HIS N N 16 118.280 118.280 117.622 0.658 18089
6717 1 16 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.332 0.918 18089
6718 1 16 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.731 -2.761 18089
6719 1 16 . 1 1 16 16 HIS CB C 16 30.130 30.130 29.956 0.173 18089
6720 1 16 . 1 1 16 16 HIS H H 16 9.270 9.270 8.407 0.863 18089
6721 1 16 . 1 1 17 17 ALA N N 17 121.080 121.080 122.549 -1.469 18089
6722 1 16 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.958 -0.118 18089
6723 1 16 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.582 -0.142 18089
6724 1 16 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.593 -0.993 18089
6725 1 16 . 1 1 17 17 ALA H H 17 8.160 8.160 7.524 0.636 18089
6726 1 16 . 1 1 18 18 HIS N N 18 112.570 112.570 113.653 -1.083 18089
6727 1 16 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.508 -0.158 18089
6728 1 16 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.912 0.578 18089
6729 1 16 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.584 0.406 18089
6730 1 16 . 1 1 18 18 HIS H H 18 7.410 7.410 7.580 -0.170 18089
6731 1 16 . 1 1 19 19 SER HA H 19 4.110 4.110 3.946 0.164 18089
6732 1 16 . 1 1 19 19 SER CA C 19 60.480 60.480 59.293 1.187 18089
6733 1 16 . 1 1 19 19 SER CB C 19 61.800 61.800 61.864 -0.064 18089
6734 1 16 . 1 1 20 20 GLY N N 20 106.720 106.720 112.805 -6.085 18089
6735 1 16 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.406 -0.166 18089
6736 1 16 . 1 1 20 20 GLY H H 20 8.260 8.260 7.877 0.383 18089
6737 1 16 . 1 1 21 21 LYS N N 21 120.240 120.240 121.295 -1.055 18089
6738 1 16 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.984 0.006 18089
6739 1 16 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.358 0.102 18089
6740 1 16 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.164 0.336 18089
6741 1 16 . 1 1 21 21 LYS H H 21 7.640 7.640 7.655 -0.015 18089
6742 1 16 . 1 1 22 22 GLU N N 22 117.060 117.060 116.484 0.576 18089
6743 1 16 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.217 0.213 18089
6744 1 16 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.734 -1.354 18089
6745 1 16 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.930 1.109 18089
6746 1 16 . 1 1 22 22 GLU H H 22 7.840 7.840 8.044 -0.204 18089
6747 1 16 . 1 1 23 23 GLY N N 23 107.770 107.770 106.836 0.934 18089
6748 1 16 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.818 1.012 18089
6749 1 16 . 1 1 23 23 GLY H H 23 8.100 8.100 7.517 0.583 18089
6750 1 16 . 1 1 24 24 ASP N N 24 122.990 122.990 121.496 1.494 18089
6751 1 16 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.920 -0.340 18089
6752 1 16 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.037 0.573 18089
6753 1 16 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.042 0.318 18089
6754 1 16 . 1 1 24 24 ASP H H 24 8.190 8.190 8.098 0.092 18089
6755 1 16 . 1 1 25 25 LYS N N 25 124.920 124.920 119.996 4.924 18089
6756 1 16 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.168 -0.078 18089
6757 1 16 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.195 0.175 18089
6758 1 16 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.875 -0.865 18089
6759 1 16 . 1 1 25 25 LYS H H 25 8.440 8.440 8.502 -0.062 18089
6760 1 16 . 1 1 26 26 TYR N N 26 117.220 117.220 116.355 0.865 18089
6761 1 16 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.668 0.452 18089
6762 1 16 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.534 -0.154 18089
6763 1 16 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.557 -0.857 18089
6764 1 16 . 1 1 26 26 TYR H H 26 8.490 8.490 8.027 0.463 18089
6765 1 16 . 1 1 27 27 LYS N N 27 118.300 118.300 118.059 0.241 18089
6766 1 16 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.545 -0.055 18089
6767 1 16 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.303 -0.483 18089
6768 1 16 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.125 0.335 18089
6769 1 16 . 1 1 27 27 LYS H H 27 7.870 7.870 7.307 0.563 18089
6770 1 16 . 1 1 28 28 LEU N N 28 121.380 121.380 118.185 3.195 18089
6771 1 16 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.576 0.154 18089
6772 1 16 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.254 -1.433 18089
6773 1 16 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.819 0.550 18089
6774 1 16 . 1 1 28 28 LEU H H 28 8.830 8.830 8.849 -0.019 18089
6775 1 16 . 1 1 29 29 SER N N 29 120.620 120.620 114.847 5.773 18089
6776 1 16 . 1 1 29 29 SER HA H 29 5.030 5.030 5.122 -0.092 18089
6777 1 16 . 1 1 29 29 SER CA C 29 57.890 57.890 57.178 0.712 18089
6778 1 16 . 1 1 29 29 SER CB C 29 64.270 64.270 65.191 -0.921 18089
6779 1 16 . 1 1 29 29 SER H H 29 8.940 8.940 8.476 0.464 18089
6780 1 16 . 1 1 30 30 LYS N N 30 124.430 124.430 124.283 0.147 18089
6781 1 16 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.019 -0.149 18089
6782 1 16 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.348 1.282 18089
6783 1 16 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.635 -0.925 18089
6784 1 16 . 1 1 30 30 LYS H H 30 8.820 8.820 8.152 0.668 18089
6785 1 16 . 1 1 31 31 LYS N N 31 120.230 120.230 118.398 1.832 18089
6786 1 16 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.978 0.192 18089
6787 1 16 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.152 0.188 18089
6788 1 16 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.969 0.531 18089
6789 1 16 . 1 1 31 31 LYS H H 31 8.730 8.730 7.492 1.238 18089
6790 1 16 . 1 1 32 32 GLU N N 32 121.570 121.570 119.792 1.778 18089
6791 1 16 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.151 -0.051 18089
6792 1 16 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.823 -0.783 18089
6793 1 16 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.343 -0.673 18089
6794 1 16 . 1 1 32 32 GLU H H 32 7.780 7.780 7.943 -0.163 18089
6795 1 16 . 1 1 33 33 LEU N N 33 121.620 121.620 119.777 1.843 18089
6796 1 16 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.997 0.003 18089
6797 1 16 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.428 -0.138 18089
6798 1 16 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.839 -1.339 18089
6799 1 16 . 1 1 33 33 LEU H H 33 8.910 8.910 7.303 1.607 18089
6800 1 16 . 1 1 34 34 LYS N N 34 120.460 120.460 119.346 1.114 18089
6801 1 16 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.011 -0.391 18089
6802 1 16 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.654 1.286 18089
6803 1 16 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.228 -0.818 18089
6804 1 16 . 1 1 34 34 LYS H H 34 8.440 8.440 8.485 -0.045 18089
6805 1 16 . 1 1 35 35 GLU N N 35 117.190 117.190 119.178 -1.988 18089
6806 1 16 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.438 -0.368 18089
6807 1 16 . 1 1 35 35 GLU CA C 35 59.270 59.270 59.000 0.270 18089
6808 1 16 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.764 -0.734 18089
6809 1 16 . 1 1 35 35 GLU H H 35 7.200 7.200 7.625 -0.425 18089
6810 1 16 . 1 1 36 36 LEU N N 36 122.760 122.760 117.297 5.463 18089
6811 1 16 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.309 -0.549 18089
6812 1 16 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.597 1.403 18089
6813 1 16 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.488 0.792 18089
6814 1 16 . 1 1 36 36 LEU H H 36 8.310 8.310 7.476 0.834 18089
6815 1 16 . 1 1 37 37 LEU N N 37 120.220 120.220 118.888 1.332 18089
6816 1 16 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.309 -0.629 18089
6817 1 16 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.431 0.889 18089
6818 1 16 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.696 -1.176 18089
6819 1 16 . 1 1 37 37 LEU H H 37 8.820 8.820 8.352 0.468 18089
6820 1 16 . 1 1 38 38 GLN N N 38 113.470 113.470 117.100 -3.630 18089
6821 1 16 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.231 -0.471 18089
6822 1 16 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.100 0.900 18089
6823 1 16 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.616 0.244 18089
6824 1 16 . 1 1 38 38 GLN H H 38 8.110 8.110 7.980 0.130 18089
6825 1 16 . 1 1 39 39 THR N N 39 109.960 109.960 111.900 -1.940 18089
6826 1 16 . 1 1 39 39 THR HA H 39 4.290 4.290 4.406 -0.116 18089
6827 1 16 . 1 1 39 39 THR CA C 39 64.560 64.560 62.812 1.748 18089
6828 1 16 . 1 1 39 39 THR CB C 39 69.750 69.750 69.321 0.429 18089
6829 1 16 . 1 1 39 39 THR H H 39 7.720 7.720 7.706 0.014 18089
6830 1 16 . 1 1 40 40 GLU N N 40 118.420 118.420 120.071 -1.651 18089
6831 1 16 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.402 0.318 18089
6832 1 16 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.261 -0.471 18089
6833 1 16 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.831 -1.631 18089
6834 1 16 . 1 1 40 40 GLU H H 40 9.020 9.020 8.187 0.833 18089
6835 1 16 . 1 1 41 41 LEU N N 41 119.120 119.120 118.563 0.557 18089
6836 1 16 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.588 0.542 18089
6837 1 16 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.130 -1.970 18089
6838 1 16 . 1 1 41 41 LEU CB C 41 42.040 42.040 43.915 -1.875 18089
6839 1 16 . 1 1 41 41 LEU H H 41 7.760 7.760 7.607 0.153 18089
6840 1 16 . 1 1 42 42 SER N N 42 112.960 112.960 118.650 -5.690 18089
6841 1 16 . 1 1 42 42 SER HA H 42 3.870 3.870 4.153 -0.283 18089
6842 1 16 . 1 1 42 42 SER CA C 42 61.630 61.630 59.567 2.063 18089
6843 1 16 . 1 1 42 42 SER CB C 42 62.790 62.790 63.095 -0.305 18089
6844 1 16 . 1 1 42 42 SER H H 42 6.940 6.940 8.242 -1.302 18089
6845 1 16 . 1 1 43 43 GLY N N 43 114.580 114.580 110.528 4.052 18089
6846 1 16 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.786 0.994 18089
6847 1 16 . 1 1 43 43 GLY H H 43 9.250 9.250 8.401 0.849 18089
6848 1 16 . 1 1 44 44 PHE N N 44 124.560 124.560 118.942 5.618 18089
6849 1 16 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.464 0.126 18089
6850 1 16 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.288 -1.808 18089
6851 1 16 . 1 1 44 44 PHE CB C 44 35.950 35.950 37.815 -1.865 18089
6852 1 16 . 1 1 44 44 PHE H H 44 8.320 8.320 6.310 2.010 18089
6853 1 16 . 1 1 45 45 LEU N N 45 116.140 116.140 120.177 -4.037 18089
6854 1 16 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.036 0.134 18089
6855 1 16 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.540 -0.170 18089
6856 1 16 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.907 0.343 18089
6857 1 16 . 1 1 45 45 LEU H H 45 8.650 8.650 7.967 0.683 18089
6858 1 16 . 1 1 46 46 ASP N N 46 119.960 119.960 116.651 3.309 18089
6859 1 16 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.543 0.167 18089
6860 1 16 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.080 1.560 18089
6861 1 16 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.790 -0.270 18089
6862 1 16 . 1 1 46 46 ASP H H 46 7.730 7.730 7.623 0.107 18089
6863 1 16 . 1 1 47 47 ALA N N 47 124.260 124.260 122.135 2.125 18089
6864 1 16 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.597 0.023 18089
6865 1 16 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.181 -1.671 18089
6866 1 16 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.198 -1.348 18089
6867 1 16 . 1 1 47 47 ALA H H 47 7.740 7.740 7.778 -0.038 18089
6868 1 16 . 1 1 48 48 GLN N N 48 117.380 117.380 124.131 -6.751 18089
6869 1 16 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.410 -0.320 18089
6870 1 16 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.256 2.114 18089
6871 1 16 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.880 0.591 18089
6872 1 16 . 1 1 48 48 GLN H H 48 7.650 7.650 8.340 -0.690 18089
6873 1 16 . 1 1 49 49 LYS N N 49 121.400 121.400 122.557 -1.157 18089
6874 1 16 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.210 -0.080 18089
6875 1 16 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.338 -0.098 18089
6876 1 16 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.036 -2.116 18089
6877 1 16 . 1 1 49 49 LYS H H 49 8.000 8.000 8.525 -0.525 18089
6878 1 16 . 1 1 50 50 ASP N N 50 119.180 119.180 123.236 -4.056 18089
6879 1 16 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.911 -0.251 18089
6880 1 16 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.533 -1.933 18089
6881 1 16 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.735 0.125 18089
6882 1 16 . 1 1 50 50 ASP H H 50 7.500 7.500 7.768 -0.268 18089
6883 1 16 . 1 1 51 51 VAL N N 51 122.100 122.100 124.052 -1.952 18089
6884 1 16 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.645 0.215 18089
6885 1 16 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.403 -1.653 18089
6886 1 16 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.541 0.429 18089
6887 1 16 . 1 1 51 51 VAL H H 51 7.670 7.670 8.259 -0.589 18089
6888 1 16 . 1 1 52 52 ASP N N 52 119.490 119.490 119.741 -0.251 18089
6889 1 16 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.343 0.007 18089
6890 1 16 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.620 -0.460 18089
6891 1 16 . 1 1 52 52 ASP CB C 52 40.600 40.600 39.871 0.729 18089
6892 1 16 . 1 1 52 52 ASP H H 52 8.130 8.130 8.524 -0.394 18089
6893 1 16 . 1 1 53 53 ALA N N 53 122.220 122.220 122.037 0.183 18089
6894 1 16 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.280 -0.260 18089
6895 1 16 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.916 -0.356 18089
6896 1 16 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.764 -0.024 18089
6897 1 16 . 1 1 53 53 ALA H H 53 7.540 7.540 7.741 -0.201 18089
6898 1 16 . 1 1 54 54 VAL N N 54 118.080 118.080 119.075 -0.995 18089
6899 1 16 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.586 -0.236 18089
6900 1 16 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.866 -0.286 18089
6901 1 16 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.893 0.827 18089
6902 1 16 . 1 1 54 54 VAL H H 54 7.310 7.310 8.587 -1.277 18089
6903 1 16 . 1 1 55 55 ASP N N 55 119.630 119.630 119.628 0.002 18089
6904 1 16 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.461 -0.181 18089
6905 1 16 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.251 0.130 18089
6906 1 16 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.754 0.156 18089
6907 1 16 . 1 1 55 55 ASP H H 55 8.530 8.530 8.760 -0.230 18089
6908 1 16 . 1 1 56 56 LYS N N 56 118.060 118.060 119.780 -1.720 18089
6909 1 16 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.129 -0.199 18089
6910 1 16 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.336 0.484 18089
6911 1 16 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.722 -0.222 18089
6912 1 16 . 1 1 56 56 LYS H H 56 7.950 7.950 7.452 0.498 18089
6913 1 16 . 1 1 57 57 VAL N N 57 119.310 119.310 122.159 -2.849 18089
6914 1 16 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.953 -0.233 18089
6915 1 16 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.607 1.453 18089
6916 1 16 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.716 0.374 18089
6917 1 16 . 1 1 57 57 VAL H H 57 7.280 7.280 8.300 -1.020 18089
6918 1 16 . 1 1 58 58 MET N N 58 115.980 115.980 119.209 -3.229 18089
6919 1 16 . 1 1 58 58 MET HA H 58 4.090 4.090 4.084 0.006 18089
6920 1 16 . 1 1 58 58 MET CA C 58 57.370 57.370 58.932 -1.562 18089
6921 1 16 . 1 1 58 58 MET CB C 58 31.310 31.310 31.789 -0.479 18089
6922 1 16 . 1 1 58 58 MET H H 58 8.360 8.360 8.253 0.107 18089
6923 1 16 . 1 1 59 59 LYS N N 59 118.900 118.900 117.591 1.309 18089
6924 1 16 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.031 0.039 18089
6925 1 16 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.285 -0.015 18089
6926 1 16 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.828 0.682 18089
6927 1 16 . 1 1 59 59 LYS H H 59 8.620 8.620 7.803 0.817 18089
6928 1 16 . 1 1 60 60 GLU N N 60 119.830 119.830 120.952 -1.122 18089
6929 1 16 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.094 -0.024 18089
6930 1 16 . 1 1 60 60 GLU CA C 60 59.270 59.270 59.001 0.269 18089
6931 1 16 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.008 -1.348 18089
6932 1 16 . 1 1 60 60 GLU H H 60 7.430 7.430 7.547 -0.117 18089
6933 1 16 . 1 1 61 61 LEU N N 61 116.920 116.920 121.085 -4.165 18089
6934 1 16 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.073 -0.123 18089
6935 1 16 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.662 -0.392 18089
6936 1 16 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.405 -0.855 18089
6937 1 16 . 1 1 61 61 LEU H H 61 7.580 7.580 8.387 -0.807 18089
6938 1 16 . 1 1 62 62 ASP N N 62 116.060 116.060 117.956 -1.896 18089
6939 1 16 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.350 0.110 18089
6940 1 16 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.323 -1.163 18089
6941 1 16 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.041 0.599 18089
6942 1 16 . 1 1 62 62 ASP H H 62 7.610 7.610 7.935 -0.325 18089
6943 1 16 . 1 1 63 63 GLU N N 63 118.870 118.870 113.952 4.918 18089
6944 1 16 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.281 -0.181 18089
6945 1 16 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.823 0.217 18089
6946 1 16 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.115 -0.065 18089
6947 1 16 . 1 1 63 63 GLU H H 63 8.120 8.120 7.519 0.601 18089
6948 1 16 . 1 1 64 64 ASN N N 64 117.720 117.720 118.394 -0.674 18089
6949 1 16 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.837 0.323 18089
6950 1 16 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.222 -2.292 18089
6951 1 16 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.729 -0.079 18089
6952 1 16 . 1 1 64 64 ASN H H 64 7.720 7.720 8.579 -0.859 18089
6953 1 16 . 1 1 65 65 GLY N N 65 107.110 107.110 110.274 -3.164 18089
6954 1 16 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.075 0.835 18089
6955 1 16 . 1 1 65 65 GLY H H 65 7.750 7.750 8.605 -0.855 18089
6956 1 16 . 1 1 66 66 ASP N N 66 115.600 115.600 121.074 -5.474 18089
6957 1 16 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.670 0.170 18089
6958 1 16 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.579 -0.529 18089
6959 1 16 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.789 -0.189 18089
6960 1 16 . 1 1 66 66 ASP H H 66 8.320 8.320 7.907 0.413 18089
6961 1 16 . 1 1 67 67 GLY N N 67 109.220 109.220 108.731 0.489 18089
6962 1 16 . 1 1 67 67 GLY CA C 67 44.810 44.810 45.003 -0.193 18089
6963 1 16 . 1 1 67 67 GLY H H 67 8.260 8.260 7.522 0.738 18089
6964 1 16 . 1 1 68 68 GLU N N 68 117.450 117.450 119.112 -1.662 18089
6965 1 16 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.286 -0.036 18089
6966 1 16 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.797 -0.827 18089
6967 1 16 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.206 1.714 18089
6968 1 16 . 1 1 68 68 GLU H H 68 8.500 8.500 8.427 0.073 18089
6969 1 16 . 1 1 69 69 VAL N N 69 115.390 115.390 117.420 -2.030 18089
6970 1 16 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.761 0.209 18089
6971 1 16 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.562 -0.432 18089
6972 1 16 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.426 -0.336 18089
6973 1 16 . 1 1 69 69 VAL H H 69 9.190 9.190 9.043 0.147 18089
6974 1 16 . 1 1 70 70 ASP N N 70 120.970 120.970 116.488 4.482 18089
6975 1 16 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.338 0.232 18089
6976 1 16 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.708 -1.668 18089
6977 1 16 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.674 -0.934 18089
6978 1 16 . 1 1 70 70 ASP H H 70 8.300 8.300 8.199 0.101 18089
6979 1 16 . 1 1 71 71 PHE N N 71 119.360 119.360 119.514 -0.154 18089
6980 1 16 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.135 0.345 18089
6981 1 16 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.116 -0.616 18089
6982 1 16 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.627 0.973 18089
6983 1 16 . 1 1 71 71 PHE H H 71 9.520 9.520 9.110 0.410 18089
6984 1 16 . 1 1 72 72 GLN N N 72 116.880 116.880 118.128 -1.248 18089
6985 1 16 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.843 -0.423 18089
6986 1 16 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.503 1.277 18089
6987 1 16 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.472 0.508 18089
6988 1 16 . 1 1 72 72 GLN H H 72 8.180 8.180 9.388 -1.208 18089
6989 1 16 . 1 1 73 73 GLU N N 73 119.720 119.720 118.946 0.774 18089
6990 1 16 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.026 -0.036 18089
6991 1 16 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.426 0.764 18089
6992 1 16 . 1 1 73 73 GLU CB C 73 30.470 30.470 28.972 1.498 18089
6993 1 16 . 1 1 73 73 GLU H H 73 8.250 8.250 7.693 0.557 18089
6994 1 16 . 1 1 74 74 TYR N N 74 122.440 122.440 122.016 0.424 18089
6995 1 16 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.084 0.256 18089
6996 1 16 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.061 -0.791 18089
6997 1 16 . 1 1 74 74 TYR CB C 74 36.820 36.820 37.997 -1.177 18089
6998 1 16 . 1 1 74 74 TYR H H 74 8.250 8.250 8.497 -0.247 18089
6999 1 16 . 1 1 75 75 VAL N N 75 120.220 120.220 117.797 2.423 18089
7000 1 16 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.281 -0.621 18089
7001 1 16 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.862 1.118 18089
7002 1 16 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.477 -0.997 18089
7003 1 16 . 1 1 75 75 VAL H H 75 8.010 8.010 7.776 0.234 18089
7004 1 16 . 1 1 76 76 VAL N N 76 119.350 119.350 120.499 -1.149 18089
7005 1 16 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.693 -0.343 18089
7006 1 16 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.430 1.180 18089
7007 1 16 . 1 1 76 76 VAL CB C 76 31.710 31.710 32.012 -0.302 18089
7008 1 16 . 1 1 76 76 VAL H H 76 7.540 7.540 7.809 -0.269 18089
7009 1 16 . 1 1 77 77 LEU N N 77 121.420 121.420 120.865 0.555 18089
7010 1 16 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.897 0.283 18089
7011 1 16 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.376 -0.116 18089
7012 1 16 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.432 0.518 18089
7013 1 16 . 1 1 77 77 LEU H H 77 7.760 7.760 8.314 -0.554 18089
7014 1 16 . 1 1 78 78 VAL N N 78 119.530 119.530 114.567 4.963 18089
7015 1 16 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.749 -0.309 18089
7016 1 16 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.527 1.703 18089
7017 1 16 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.804 0.606 18089
7018 1 16 . 1 1 78 78 VAL H H 78 8.370 8.370 7.172 1.198 18089
7019 1 16 . 1 1 79 79 ALA N N 79 125.030 125.030 123.315 1.715 18089
7020 1 16 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.102 -0.072 18089
7021 1 16 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.219 1.851 18089
7022 1 16 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.557 -0.537 18089
7023 1 16 . 1 1 79 79 ALA H H 79 9.070 9.070 7.142 1.928 18089
7024 1 16 . 1 1 80 80 ALA N N 80 122.060 122.060 121.556 0.504 18089
7025 1 16 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.876 0.114 18089
7026 1 16 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.014 0.366 18089
7027 1 16 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.151 -0.591 18089
7028 1 16 . 1 1 80 80 ALA H H 80 8.350 8.350 8.513 -0.163 18089
7029 1 16 . 1 1 81 81 LEU N N 81 117.650 117.650 114.376 3.274 18089
7030 1 16 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.667 0.383 18089
7031 1 16 . 1 1 81 81 LEU CA C 81 57.690 57.690 56.557 1.133 18089
7032 1 16 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.292 1.538 18089
7033 1 16 . 1 1 81 81 LEU H H 81 8.060 8.060 7.310 0.750 18089
7034 1 16 . 1 1 82 82 THR N N 82 117.560 117.560 115.876 1.684 18089
7035 1 16 . 1 1 82 82 THR HA H 82 3.680 3.680 4.245 -0.565 18089
7036 1 16 . 1 1 82 82 THR CA C 82 68.820 68.820 66.659 2.161 18089
7037 1 16 . 1 1 82 82 THR CB C 82 67.570 67.570 68.683 -1.113 18089
7038 1 16 . 1 1 82 82 THR H H 82 8.320 8.320 7.612 0.708 18089
7039 1 16 . 1 1 83 83 VAL N N 83 121.390 121.390 118.273 3.117 18089
7040 1 16 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.633 -0.543 18089
7041 1 16 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.666 -0.546 18089
7042 1 16 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.355 0.525 18089
7043 1 16 . 1 1 83 83 VAL H H 83 8.000 8.000 7.912 0.088 18089
7044 1 16 . 1 1 84 84 ALA N N 84 116.970 116.970 122.820 -5.850 18089
7045 1 16 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.031 0.549 18089
7046 1 16 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.917 -1.277 18089
7047 1 16 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.564 2.256 18089
7048 1 16 . 1 1 84 84 ALA H H 84 7.100 7.100 7.482 -0.382 18089
7049 1 16 . 1 1 85 85 CYS N N 85 112.170 112.170 113.867 -1.697 18089
7050 1 16 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.412 0.128 18089
7051 1 16 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.611 0.719 18089
7052 1 16 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.905 4.484 18089
7053 1 16 . 1 1 85 85 CYS H H 85 7.360 7.360 7.839 -0.479 18089
7054 1 16 . 1 1 86 86 ASN N N 86 118.980 118.980 120.703 -1.723 18089
7055 1 16 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.858 -0.378 18089
7056 1 16 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.363 0.387 18089
7057 1 16 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.583 3.527 18089
7058 1 16 . 1 1 86 86 ASN H H 86 8.440 8.440 8.100 0.340 18089
7059 1 16 . 1 1 87 87 ASN N N 87 124.820 124.820 120.604 4.216 18089
7060 1 16 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.288 0.062 18089
7061 1 16 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.211 1.279 18089
7062 1 16 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.654 0.676 18089
7063 1 16 . 1 1 87 87 ASN H H 87 9.210 9.210 7.550 1.660 18089
7064 1 16 . 1 1 88 88 PHE N N 88 120.560 120.560 120.828 -0.268 18089
7065 1 16 . 1 1 88 88 PHE HA H 88 4.110 4.110 2.959 1.151 18089
7066 1 16 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.411 0.069 18089
7067 1 16 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.458 1.002 18089
7068 1 16 . 1 1 88 88 PHE H H 88 8.690 8.690 7.213 1.477 18089
7069 1 16 . 1 1 89 89 PHE N N 89 112.650 112.650 115.710 -3.060 18089
7070 1 16 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.372 -0.612 18089
7071 1 16 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.739 0.261 18089
7072 1 16 . 1 1 89 89 PHE CB C 89 39.020 39.020 37.770 1.250 18089
7073 1 16 . 1 1 89 89 PHE H H 89 7.440 7.440 7.692 -0.252 18089
7074 1 16 . 1 1 90 90 TRP N N 90 118.650 118.650 117.157 1.493 18089
7075 1 16 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.468 0.122 18089
7076 1 16 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.554 0.745 18089
7077 1 16 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.398 4.052 18089
7078 1 16 . 1 1 90 90 TRP H H 90 7.360 7.360 7.351 0.009 18089
7079 1 16 . 1 1 91 91 GLU N N 91 121.410 121.410 120.328 1.082 18089
7080 1 16 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.404 -0.054 18089
7081 1 16 . 1 1 91 91 GLU CA C 91 56.490 56.490 55.354 1.136 18089
7082 1 16 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.380 0.090 18089
7083 1 16 . 1 1 91 91 GLU H H 91 7.820 7.820 7.838 -0.018 18089
7084 1 16 . 1 1 92 92 ASN N N 92 120.680 120.680 118.699 1.981 18089
7085 1 16 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.722 0.008 18089
7086 1 16 . 1 1 92 92 ASN CA C 92 52.820 52.820 54.251 -1.431 18089
7087 1 16 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.877 0.133 18089
7088 1 16 . 1 1 92 92 ASN H H 92 8.590 8.590 8.414 0.176 18089
7089 1 17 . 1 1 2 2 SER N N 2 118.700 118.700 117.285 1.415 18089
7090 1 17 . 1 1 2 2 SER HA H 2 4.680 4.680 4.716 -0.036 18089
7091 1 17 . 1 1 2 2 SER CA C 2 57.280 57.280 57.885 -0.605 18089
7092 1 17 . 1 1 2 2 SER CB C 2 65.190 65.190 64.990 0.200 18089
7093 1 17 . 1 1 2 2 SER H H 2 9.250 9.250 8.175 1.075 18089
7094 1 17 . 1 1 3 3 GLU N N 3 122.910 122.910 123.779 -0.869 18089
7095 1 17 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.114 -0.003 18089
7096 1 17 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.116 1.364 18089
7097 1 17 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.893 -0.883 18089
7098 1 17 . 1 1 3 3 GLU H H 3 9.250 9.250 8.893 0.357 18089
7099 1 17 . 1 1 4 4 LEU N N 4 121.150 121.150 117.551 3.599 18089
7100 1 17 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.096 -0.046 18089
7101 1 17 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.589 0.101 18089
7102 1 17 . 1 1 4 4 LEU CB C 4 42.150 42.150 40.975 1.175 18089
7103 1 17 . 1 1 4 4 LEU H H 4 8.940 8.940 7.909 1.031 18089
7104 1 17 . 1 1 5 5 GLU N N 5 118.630 118.630 119.515 -0.885 18089
7105 1 17 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.009 -0.769 18089
7106 1 17 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.557 0.153 18089
7107 1 17 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.293 -0.323 18089
7108 1 17 . 1 1 5 5 GLU H H 5 7.840 7.840 8.538 -0.698 18089
7109 1 17 . 1 1 6 6 THR N N 6 116.040 116.040 115.566 0.474 18089
7110 1 17 . 1 1 6 6 THR HA H 6 4.000 4.000 4.018 -0.018 18089
7111 1 17 . 1 1 6 6 THR CA C 6 66.620 66.620 65.612 1.008 18089
7112 1 17 . 1 1 6 6 THR CB C 6 68.650 68.650 68.172 0.478 18089
7113 1 17 . 1 1 6 6 THR H H 6 8.430 8.430 7.817 0.613 18089
7114 1 17 . 1 1 7 7 ALA N N 7 125.730 125.730 124.947 0.783 18089
7115 1 17 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.075 0.195 18089
7116 1 17 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.849 0.741 18089
7117 1 17 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.328 -0.178 18089
7118 1 17 . 1 1 7 7 ALA H H 7 8.290 8.290 7.539 0.751 18089
7119 1 17 . 1 1 8 8 MET N N 8 115.120 115.120 116.462 -1.342 18089
7120 1 17 . 1 1 8 8 MET HA H 8 4.870 4.870 4.124 0.746 18089
7121 1 17 . 1 1 8 8 MET CA C 8 56.540 56.540 58.915 -2.375 18089
7122 1 17 . 1 1 8 8 MET CB C 8 28.950 28.950 31.794 -2.844 18089
7123 1 17 . 1 1 8 8 MET H H 8 8.100 8.100 7.574 0.526 18089
7124 1 17 . 1 1 9 9 GLU N N 9 120.560 120.560 118.728 1.832 18089
7125 1 17 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.008 0.102 18089
7126 1 17 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.434 1.046 18089
7127 1 17 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.932 -0.092 18089
7128 1 17 . 1 1 9 9 GLU H H 9 8.710 8.710 8.049 0.661 18089
7129 1 17 . 1 1 10 10 THR N N 10 118.800 118.800 113.746 5.054 18089
7130 1 17 . 1 1 10 10 THR HA H 10 4.120 4.120 4.133 -0.013 18089
7131 1 17 . 1 1 10 10 THR CA C 10 67.230 67.230 65.450 1.780 18089
7132 1 17 . 1 1 10 10 THR CB C 10 67.570 67.570 68.488 -0.918 18089
7133 1 17 . 1 1 10 10 THR H H 10 8.470 8.470 7.917 0.553 18089
7134 1 17 . 1 1 11 11 LEU N N 11 121.860 121.860 120.124 1.736 18089
7135 1 17 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.296 -0.186 18089
7136 1 17 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.939 2.541 18089
7137 1 17 . 1 1 11 11 LEU CB C 11 41.940 41.940 41.022 0.918 18089
7138 1 17 . 1 1 11 11 LEU H H 11 8.340 8.340 7.651 0.689 18089
7139 1 17 . 1 1 12 12 ILE N N 12 121.270 121.270 117.708 3.562 18089
7140 1 17 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.101 -0.551 18089
7141 1 17 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.048 1.112 18089
7142 1 17 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.931 0.469 18089
7143 1 17 . 1 1 12 12 ILE H H 12 8.480 8.480 7.905 0.575 18089
7144 1 17 . 1 1 13 13 ASN N N 13 120.510 120.510 119.948 0.562 18089
7145 1 17 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.469 -0.119 18089
7146 1 17 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.342 0.148 18089
7147 1 17 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.659 0.281 18089
7148 1 17 . 1 1 13 13 ASN H H 13 8.690 8.690 8.386 0.304 18089
7149 1 17 . 1 1 14 14 VAL N N 14 121.990 121.990 118.999 2.991 18089
7150 1 17 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.933 -0.063 18089
7151 1 17 . 1 1 14 14 VAL CA C 14 66.550 66.550 65.044 1.506 18089
7152 1 17 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.406 -0.696 18089
7153 1 17 . 1 1 14 14 VAL H H 14 8.880 8.880 7.444 1.436 18089
7154 1 17 . 1 1 15 15 PHE N N 15 120.470 120.470 119.695 0.775 18089
7155 1 17 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.688 -0.118 18089
7156 1 17 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.045 1.435 18089
7157 1 17 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.249 0.251 18089
7158 1 17 . 1 1 15 15 PHE H H 15 7.480 7.480 7.877 -0.397 18089
7159 1 17 . 1 1 16 16 HIS N N 16 118.280 118.280 116.284 1.996 18089
7160 1 17 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.362 0.888 18089
7161 1 17 . 1 1 16 16 HIS CA C 16 54.970 54.970 58.405 -3.435 18089
7162 1 17 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.572 -0.442 18089
7163 1 17 . 1 1 16 16 HIS H H 16 9.270 9.270 8.191 1.079 18089
7164 1 17 . 1 1 17 17 ALA N N 17 121.080 121.080 122.370 -1.290 18089
7165 1 17 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.959 -0.119 18089
7166 1 17 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.373 0.067 18089
7167 1 17 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.563 -0.963 18089
7168 1 17 . 1 1 17 17 ALA H H 17 8.160 8.160 7.310 0.850 18089
7169 1 17 . 1 1 18 18 HIS N N 18 112.570 112.570 113.727 -1.157 18089
7170 1 17 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.669 -0.319 18089
7171 1 17 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.324 2.166 18089
7172 1 17 . 1 1 18 18 HIS CB C 18 30.990 30.990 29.396 1.594 18089
7173 1 17 . 1 1 18 18 HIS H H 18 7.410 7.410 7.487 -0.077 18089
7174 1 17 . 1 1 19 19 SER HA H 19 4.110 4.110 4.152 -0.042 18089
7175 1 17 . 1 1 19 19 SER CA C 19 60.480 60.480 58.708 1.772 18089
7176 1 17 . 1 1 19 19 SER CB C 19 61.800 61.800 63.935 -2.135 18089
7177 1 17 . 1 1 20 20 GLY N N 20 106.720 106.720 112.964 -6.244 18089
7178 1 17 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.457 -0.217 18089
7179 1 17 . 1 1 20 20 GLY H H 20 8.260 8.260 8.728 -0.468 18089
7180 1 17 . 1 1 21 21 LYS N N 21 120.240 120.240 118.611 1.629 18089
7181 1 17 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.322 -0.332 18089
7182 1 17 . 1 1 21 21 LYS CA C 21 58.460 58.460 57.231 1.229 18089
7183 1 17 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.550 -0.050 18089
7184 1 17 . 1 1 21 21 LYS H H 21 7.640 7.640 8.239 -0.599 18089
7185 1 17 . 1 1 22 22 GLU N N 22 117.060 117.060 119.666 -2.606 18089
7186 1 17 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.252 0.178 18089
7187 1 17 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.505 -1.125 18089
7188 1 17 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.577 1.463 18089
7189 1 17 . 1 1 22 22 GLU H H 22 7.840 7.840 8.233 -0.393 18089
7190 1 17 . 1 1 23 23 GLY N N 23 107.770 107.770 105.997 1.773 18089
7191 1 17 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.994 0.836 18089
7192 1 17 . 1 1 23 23 GLY H H 23 8.100 8.100 8.397 -0.297 18089
7193 1 17 . 1 1 24 24 ASP N N 24 122.990 122.990 120.359 2.631 18089
7194 1 17 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.976 -0.396 18089
7195 1 17 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.225 0.385 18089
7196 1 17 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.697 -0.337 18089
7197 1 17 . 1 1 24 24 ASP H H 24 8.190 8.190 8.006 0.184 18089
7198 1 17 . 1 1 25 25 LYS N N 25 124.920 124.920 123.943 0.977 18089
7199 1 17 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.996 0.094 18089
7200 1 17 . 1 1 25 25 LYS CA C 25 57.370 57.370 59.333 -1.963 18089
7201 1 17 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.345 -0.335 18089
7202 1 17 . 1 1 25 25 LYS H H 25 8.440 8.440 8.701 -0.261 18089
7203 1 17 . 1 1 26 26 TYR N N 26 117.220 117.220 114.229 2.991 18089
7204 1 17 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.484 0.636 18089
7205 1 17 . 1 1 26 26 TYR CA C 26 57.380 57.380 59.371 -1.991 18089
7206 1 17 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.356 0.344 18089
7207 1 17 . 1 1 26 26 TYR H H 26 8.490 8.490 8.104 0.386 18089
7208 1 17 . 1 1 27 27 LYS N N 27 118.300 118.300 116.697 1.603 18089
7209 1 17 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.464 0.026 18089
7210 1 17 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.043 -0.223 18089
7211 1 17 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.018 0.442 18089
7212 1 17 . 1 1 27 27 LYS H H 27 7.870 7.870 7.721 0.149 18089
7213 1 17 . 1 1 28 28 LEU N N 28 121.380 121.380 120.707 0.673 18089
7214 1 17 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.662 0.068 18089
7215 1 17 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.264 -1.444 18089
7216 1 17 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.209 0.161 18089
7217 1 17 . 1 1 28 28 LEU H H 28 8.830 8.830 9.123 -0.293 18089
7218 1 17 . 1 1 29 29 SER N N 29 120.620 120.620 115.747 4.873 18089
7219 1 17 . 1 1 29 29 SER HA H 29 5.030 5.030 5.098 -0.068 18089
7220 1 17 . 1 1 29 29 SER CA C 29 57.890 57.890 57.693 0.197 18089
7221 1 17 . 1 1 29 29 SER CB C 29 64.270 64.270 64.676 -0.406 18089
7222 1 17 . 1 1 29 29 SER H H 29 8.940 8.940 8.578 0.362 18089
7223 1 17 . 1 1 30 30 LYS N N 30 124.430 124.430 122.673 1.757 18089
7224 1 17 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.124 -0.254 18089
7225 1 17 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.072 1.558 18089
7226 1 17 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.711 -1.001 18089
7227 1 17 . 1 1 30 30 LYS H H 30 8.820 8.820 8.727 0.093 18089
7228 1 17 . 1 1 31 31 LYS N N 31 120.230 120.230 118.870 1.360 18089
7229 1 17 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.912 0.258 18089
7230 1 17 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.392 -0.052 18089
7231 1 17 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.776 0.724 18089
7232 1 17 . 1 1 31 31 LYS H H 31 8.730 8.730 7.713 1.017 18089
7233 1 17 . 1 1 32 32 GLU N N 32 121.570 121.570 119.819 1.751 18089
7234 1 17 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.061 0.039 18089
7235 1 17 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.108 -1.068 18089
7236 1 17 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.078 -0.408 18089
7237 1 17 . 1 1 32 32 GLU H H 32 7.780 7.780 7.754 0.026 18089
7238 1 17 . 1 1 33 33 LEU N N 33 121.620 121.620 119.600 2.020 18089
7239 1 17 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.942 0.059 18089
7240 1 17 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.511 -0.221 18089
7241 1 17 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.958 -1.458 18089
7242 1 17 . 1 1 33 33 LEU H H 33 8.910 8.910 7.439 1.471 18089
7243 1 17 . 1 1 34 34 LYS N N 34 120.460 120.460 119.426 1.034 18089
7244 1 17 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.042 -0.422 18089
7245 1 17 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.496 1.444 18089
7246 1 17 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.310 -0.901 18089
7247 1 17 . 1 1 34 34 LYS H H 34 8.440 8.440 8.534 -0.094 18089
7248 1 17 . 1 1 35 35 GLU N N 35 117.190 117.190 119.829 -2.639 18089
7249 1 17 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.406 -0.336 18089
7250 1 17 . 1 1 35 35 GLU CA C 35 59.270 59.270 59.029 0.241 18089
7251 1 17 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.851 -0.821 18089
7252 1 17 . 1 1 35 35 GLU H H 35 7.200 7.200 8.117 -0.917 18089
7253 1 17 . 1 1 36 36 LEU N N 36 122.760 122.760 118.206 4.554 18089
7254 1 17 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.172 -0.412 18089
7255 1 17 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.760 1.240 18089
7256 1 17 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.488 0.792 18089
7257 1 17 . 1 1 36 36 LEU H H 36 8.310 8.310 7.801 0.509 18089
7258 1 17 . 1 1 37 37 LEU N N 37 120.220 120.220 118.631 1.589 18089
7259 1 17 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.307 -0.627 18089
7260 1 17 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.411 0.909 18089
7261 1 17 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.613 -1.093 18089
7262 1 17 . 1 1 37 37 LEU H H 37 8.820 8.820 8.073 0.747 18089
7263 1 17 . 1 1 38 38 GLN N N 38 113.470 113.470 117.232 -3.762 18089
7264 1 17 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.223 -0.463 18089
7265 1 17 . 1 1 38 38 GLN CA C 38 59.000 59.000 57.978 1.022 18089
7266 1 17 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.534 0.326 18089
7267 1 17 . 1 1 38 38 GLN H H 38 8.110 8.110 8.100 0.010 18089
7268 1 17 . 1 1 39 39 THR N N 39 109.960 109.960 112.579 -2.619 18089
7269 1 17 . 1 1 39 39 THR HA H 39 4.290 4.290 4.395 -0.105 18089
7270 1 17 . 1 1 39 39 THR CA C 39 64.560 64.560 63.058 1.502 18089
7271 1 17 . 1 1 39 39 THR CB C 39 69.750 69.750 69.365 0.385 18089
7272 1 17 . 1 1 39 39 THR H H 39 7.720 7.720 7.689 0.031 18089
7273 1 17 . 1 1 40 40 GLU N N 40 118.420 118.420 119.525 -1.105 18089
7274 1 17 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.406 0.314 18089
7275 1 17 . 1 1 40 40 GLU CA C 40 56.790 56.790 57.127 -0.336 18089
7276 1 17 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.823 -1.623 18089
7277 1 17 . 1 1 40 40 GLU H H 40 9.020 9.020 8.113 0.907 18089
7278 1 17 . 1 1 41 41 LEU N N 41 119.120 119.120 118.381 0.739 18089
7279 1 17 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.636 0.494 18089
7280 1 17 . 1 1 41 41 LEU CA C 41 53.160 53.160 55.227 -2.067 18089
7281 1 17 . 1 1 41 41 LEU CB C 41 42.040 42.040 44.337 -2.297 18089
7282 1 17 . 1 1 41 41 LEU H H 41 7.760 7.760 7.579 0.181 18089
7283 1 17 . 1 1 42 42 SER N N 42 112.960 112.960 116.859 -3.899 18089
7284 1 17 . 1 1 42 42 SER HA H 42 3.870 3.870 4.106 -0.236 18089
7285 1 17 . 1 1 42 42 SER CA C 42 61.630 61.630 59.536 2.094 18089
7286 1 17 . 1 1 42 42 SER CB C 42 62.790 62.790 62.504 0.286 18089
7287 1 17 . 1 1 42 42 SER H H 42 6.940 6.940 8.137 -1.198 18089
7288 1 17 . 1 1 43 43 GLY N N 43 114.580 114.580 110.959 3.621 18089
7289 1 17 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.554 1.226 18089
7290 1 17 . 1 1 43 43 GLY H H 43 9.250 9.250 8.606 0.644 18089
7291 1 17 . 1 1 44 44 PHE N N 44 124.560 124.560 119.091 5.469 18089
7292 1 17 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.278 0.312 18089
7293 1 17 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.331 -1.851 18089
7294 1 17 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.462 -2.512 18089
7295 1 17 . 1 1 44 44 PHE H H 44 8.320 8.320 7.410 0.910 18089
7296 1 17 . 1 1 45 45 LEU N N 45 116.140 116.140 119.767 -3.627 18089
7297 1 17 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.021 0.149 18089
7298 1 17 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.753 -0.383 18089
7299 1 17 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.947 0.303 18089
7300 1 17 . 1 1 45 45 LEU H H 45 8.650 8.650 7.792 0.858 18089
7301 1 17 . 1 1 46 46 ASP N N 46 119.960 119.960 117.593 2.367 18089
7302 1 17 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.538 0.172 18089
7303 1 17 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.514 0.126 18089
7304 1 17 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.963 0.557 18089
7305 1 17 . 1 1 46 46 ASP H H 46 7.730 7.730 8.013 -0.283 18089
7306 1 17 . 1 1 47 47 ALA N N 47 124.260 124.260 120.302 3.958 18089
7307 1 17 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.478 0.142 18089
7308 1 17 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.516 -2.006 18089
7309 1 17 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.561 -1.710 18089
7310 1 17 . 1 1 47 47 ALA H H 47 7.740 7.740 7.671 0.069 18089
7311 1 17 . 1 1 48 48 GLN N N 48 117.380 117.380 117.957 -0.577 18089
7312 1 17 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.028 0.062 18089
7313 1 17 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.420 0.950 18089
7314 1 17 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.866 2.604 18089
7315 1 17 . 1 1 48 48 GLN H H 48 7.650 7.650 8.547 -0.897 18089
7316 1 17 . 1 1 49 49 LYS N N 49 121.400 121.400 120.581 0.819 18089
7317 1 17 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.378 -0.248 18089
7318 1 17 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.458 -0.218 18089
7319 1 17 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.089 -2.169 18089
7320 1 17 . 1 1 49 49 LYS H H 49 8.000 8.000 8.262 -0.262 18089
7321 1 17 . 1 1 50 50 ASP N N 50 119.180 119.180 122.464 -3.284 18089
7322 1 17 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.812 -0.152 18089
7323 1 17 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.818 -2.218 18089
7324 1 17 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.898 -0.038 18089
7325 1 17 . 1 1 50 50 ASP H H 50 7.500 7.500 7.747 -0.247 18089
7326 1 17 . 1 1 51 51 VAL N N 51 122.100 122.100 125.344 -3.244 18089
7327 1 17 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.559 0.301 18089
7328 1 17 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.014 -1.264 18089
7329 1 17 . 1 1 51 51 VAL CB C 51 31.970 31.970 32.021 -0.051 18089
7330 1 17 . 1 1 51 51 VAL H H 51 7.670 7.670 8.077 -0.407 18089
7331 1 17 . 1 1 52 52 ASP N N 52 119.490 119.490 120.035 -0.545 18089
7332 1 17 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.285 0.065 18089
7333 1 17 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.656 -0.496 18089
7334 1 17 . 1 1 52 52 ASP CB C 52 40.600 40.600 39.690 0.910 18089
7335 1 17 . 1 1 52 52 ASP H H 52 8.130 8.130 8.079 0.051 18089
7336 1 17 . 1 1 53 53 ALA N N 53 122.220 122.220 122.057 0.163 18089
7337 1 17 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.144 -0.124 18089
7338 1 17 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.785 -0.225 18089
7339 1 17 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.506 0.234 18089
7340 1 17 . 1 1 53 53 ALA H H 53 7.540 7.540 8.432 -0.892 18089
7341 1 17 . 1 1 54 54 VAL N N 54 118.080 118.080 117.970 0.110 18089
7342 1 17 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.552 -0.202 18089
7343 1 17 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.705 -0.125 18089
7344 1 17 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.733 -0.013 18089
7345 1 17 . 1 1 54 54 VAL H H 54 7.310 7.310 7.805 -0.495 18089
7346 1 17 . 1 1 55 55 ASP N N 55 119.630 119.630 119.977 -0.347 18089
7347 1 17 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.484 -0.204 18089
7348 1 17 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.410 -0.030 18089
7349 1 17 . 1 1 55 55 ASP CB C 55 40.910 40.910 41.008 -0.098 18089
7350 1 17 . 1 1 55 55 ASP H H 55 8.530 8.530 8.710 -0.180 18089
7351 1 17 . 1 1 56 56 LYS N N 56 118.060 118.060 119.115 -1.055 18089
7352 1 17 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.172 -0.242 18089
7353 1 17 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.005 0.815 18089
7354 1 17 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.572 -0.072 18089
7355 1 17 . 1 1 56 56 LYS H H 56 7.950 7.950 8.226 -0.276 18089
7356 1 17 . 1 1 57 57 VAL N N 57 119.310 119.310 122.100 -2.790 18089
7357 1 17 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.948 -0.228 18089
7358 1 17 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.586 1.474 18089
7359 1 17 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.425 -0.335 18089
7360 1 17 . 1 1 57 57 VAL H H 57 7.280 7.280 8.022 -0.742 18089
7361 1 17 . 1 1 58 58 MET N N 58 115.980 115.980 118.956 -2.976 18089
7362 1 17 . 1 1 58 58 MET HA H 58 4.090 4.090 4.073 0.017 18089
7363 1 17 . 1 1 58 58 MET CA C 58 57.370 57.370 58.818 -1.448 18089
7364 1 17 . 1 1 58 58 MET CB C 58 31.310 31.310 31.825 -0.515 18089
7365 1 17 . 1 1 58 58 MET H H 58 8.360 8.360 8.176 0.184 18089
7366 1 17 . 1 1 59 59 LYS N N 59 118.900 118.900 117.483 1.417 18089
7367 1 17 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.020 0.050 18089
7368 1 17 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.339 -0.069 18089
7369 1 17 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.790 0.720 18089
7370 1 17 . 1 1 59 59 LYS H H 59 8.620 8.620 7.742 0.878 18089
7371 1 17 . 1 1 60 60 GLU N N 60 119.830 119.830 121.134 -1.304 18089
7372 1 17 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.309 -0.239 18089
7373 1 17 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.738 0.532 18089
7374 1 17 . 1 1 60 60 GLU CB C 60 28.660 28.660 29.957 -1.297 18089
7375 1 17 . 1 1 60 60 GLU H H 60 7.430 7.430 7.514 -0.084 18089
7376 1 17 . 1 1 61 61 LEU N N 61 116.920 116.920 121.002 -4.082 18089
7377 1 17 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.120 -0.170 18089
7378 1 17 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.581 -0.311 18089
7379 1 17 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.247 -0.697 18089
7380 1 17 . 1 1 61 61 LEU H H 61 7.580 7.580 8.390 -0.810 18089
7381 1 17 . 1 1 62 62 ASP N N 62 116.060 116.060 119.931 -3.871 18089
7382 1 17 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.376 0.084 18089
7383 1 17 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.130 -0.970 18089
7384 1 17 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.913 0.727 18089
7385 1 17 . 1 1 62 62 ASP H H 62 7.610 7.610 8.031 -0.421 18089
7386 1 17 . 1 1 63 63 GLU N N 63 118.870 118.870 115.709 3.161 18089
7387 1 17 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.380 -0.280 18089
7388 1 17 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.319 0.721 18089
7389 1 17 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.231 -0.181 18089
7390 1 17 . 1 1 63 63 GLU H H 63 8.120 8.120 7.631 0.489 18089
7391 1 17 . 1 1 64 64 ASN N N 64 117.720 117.720 118.159 -0.439 18089
7392 1 17 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.942 0.218 18089
7393 1 17 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.827 -1.897 18089
7394 1 17 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.783 -1.133 18089
7395 1 17 . 1 1 64 64 ASN H H 64 7.720 7.720 8.335 -0.615 18089
7396 1 17 . 1 1 65 65 GLY N N 65 107.110 107.110 109.803 -2.693 18089
7397 1 17 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.406 0.504 18089
7398 1 17 . 1 1 65 65 GLY H H 65 7.750 7.750 8.965 -1.215 18089
7399 1 17 . 1 1 66 66 ASP N N 66 115.600 115.600 120.432 -4.832 18089
7400 1 17 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.665 0.174 18089
7401 1 17 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.617 -0.567 18089
7402 1 17 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.884 -0.284 18089
7403 1 17 . 1 1 66 66 ASP H H 66 8.320 8.320 7.853 0.467 18089
7404 1 17 . 1 1 67 67 GLY N N 67 109.220 109.220 109.139 0.081 18089
7405 1 17 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.514 0.296 18089
7406 1 17 . 1 1 67 67 GLY H H 67 8.260 8.260 8.093 0.167 18089
7407 1 17 . 1 1 68 68 GLU N N 68 117.450 117.450 118.590 -1.140 18089
7408 1 17 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.083 0.167 18089
7409 1 17 . 1 1 68 68 GLU CA C 68 54.970 54.970 54.923 0.047 18089
7410 1 17 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.774 1.146 18089
7411 1 17 . 1 1 68 68 GLU H H 68 8.500 8.500 8.264 0.236 18089
7412 1 17 . 1 1 69 69 VAL N N 69 115.390 115.390 117.024 -1.634 18089
7413 1 17 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.618 0.352 18089
7414 1 17 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.297 -0.167 18089
7415 1 17 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.212 -0.123 18089
7416 1 17 . 1 1 69 69 VAL H H 69 9.190 9.190 9.061 0.129 18089
7417 1 17 . 1 1 70 70 ASP N N 70 120.970 120.970 117.658 3.312 18089
7418 1 17 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.075 0.495 18089
7419 1 17 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.533 -1.493 18089
7420 1 17 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.778 -1.038 18089
7421 1 17 . 1 1 70 70 ASP H H 70 8.300 8.300 8.099 0.201 18089
7422 1 17 . 1 1 71 71 PHE N N 71 119.360 119.360 120.576 -1.216 18089
7423 1 17 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.120 0.360 18089
7424 1 17 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.058 -0.558 18089
7425 1 17 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.430 1.170 18089
7426 1 17 . 1 1 71 71 PHE H H 71 9.520 9.520 8.936 0.584 18089
7427 1 17 . 1 1 72 72 GLN N N 72 116.880 116.880 119.057 -2.177 18089
7428 1 17 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.791 -0.371 18089
7429 1 17 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.172 1.608 18089
7430 1 17 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.376 0.604 18089
7431 1 17 . 1 1 72 72 GLN H H 72 8.180 8.180 8.467 -0.287 18089
7432 1 17 . 1 1 73 73 GLU N N 73 119.720 119.720 119.492 0.228 18089
7433 1 17 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.017 -0.027 18089
7434 1 17 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.910 0.280 18089
7435 1 17 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.415 1.055 18089
7436 1 17 . 1 1 73 73 GLU H H 73 8.250 8.250 7.800 0.450 18089
7437 1 17 . 1 1 74 74 TYR N N 74 122.440 122.440 120.486 1.954 18089
7438 1 17 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.155 0.185 18089
7439 1 17 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.886 -0.616 18089
7440 1 17 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.153 -1.333 18089
7441 1 17 . 1 1 74 74 TYR H H 74 8.250 8.250 7.762 0.488 18089
7442 1 17 . 1 1 75 75 VAL N N 75 120.220 120.220 118.245 1.975 18089
7443 1 17 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.359 -0.699 18089
7444 1 17 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.160 1.820 18089
7445 1 17 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.127 -0.647 18089
7446 1 17 . 1 1 75 75 VAL H H 75 8.010 8.010 7.317 0.693 18089
7447 1 17 . 1 1 76 76 VAL N N 76 119.350 119.350 120.249 -0.899 18089
7448 1 17 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.605 -0.255 18089
7449 1 17 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.750 0.860 18089
7450 1 17 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.669 0.041 18089
7451 1 17 . 1 1 76 76 VAL H H 76 7.540 7.540 8.127 -0.587 18089
7452 1 17 . 1 1 77 77 LEU N N 77 121.420 121.420 120.536 0.884 18089
7453 1 17 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.907 0.273 18089
7454 1 17 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.307 -0.047 18089
7455 1 17 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.561 0.389 18089
7456 1 17 . 1 1 77 77 LEU H H 77 7.760 7.760 8.128 -0.368 18089
7457 1 17 . 1 1 78 78 VAL N N 78 119.530 119.530 115.900 3.630 18089
7458 1 17 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.782 -0.342 18089
7459 1 17 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.206 2.024 18089
7460 1 17 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.560 0.850 18089
7461 1 17 . 1 1 78 78 VAL H H 78 8.370 8.370 7.159 1.211 18089
7462 1 17 . 1 1 79 79 ALA N N 79 125.030 125.030 123.511 1.519 18089
7463 1 17 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.070 -0.040 18089
7464 1 17 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.197 1.873 18089
7465 1 17 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.475 -0.455 18089
7466 1 17 . 1 1 79 79 ALA H H 79 9.070 9.070 7.124 1.946 18089
7467 1 17 . 1 1 80 80 ALA N N 80 122.060 122.060 121.572 0.488 18089
7468 1 17 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.878 0.112 18089
7469 1 17 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.000 0.380 18089
7470 1 17 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.179 -0.619 18089
7471 1 17 . 1 1 80 80 ALA H H 80 8.350 8.350 8.542 -0.192 18089
7472 1 17 . 1 1 81 81 LEU N N 81 117.650 117.650 115.070 2.580 18089
7473 1 17 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.867 0.183 18089
7474 1 17 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.104 0.586 18089
7475 1 17 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.670 0.160 18089
7476 1 17 . 1 1 81 81 LEU H H 81 8.060 8.060 7.478 0.582 18089
7477 1 17 . 1 1 82 82 THR N N 82 117.560 117.560 115.645 1.915 18089
7478 1 17 . 1 1 82 82 THR HA H 82 3.680 3.680 1.928 1.752 18089
7479 1 17 . 1 1 82 82 THR CA C 82 68.820 68.820 65.912 2.908 18089
7480 1 17 . 1 1 82 82 THR CB C 82 67.570 67.570 68.304 -0.734 18089
7481 1 17 . 1 1 82 82 THR H H 82 8.320 8.320 7.204 1.116 18089
7482 1 17 . 1 1 83 83 VAL N N 83 121.390 121.390 118.203 3.187 18089
7483 1 17 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.619 -0.529 18089
7484 1 17 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.429 -0.309 18089
7485 1 17 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.268 0.612 18089
7486 1 17 . 1 1 83 83 VAL H H 83 8.000 8.000 7.901 0.099 18089
7487 1 17 . 1 1 84 84 ALA N N 84 116.970 116.970 123.031 -6.061 18089
7488 1 17 . 1 1 84 84 ALA HA H 84 4.580 4.580 3.978 0.602 18089
7489 1 17 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.136 -1.496 18089
7490 1 17 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.064 2.756 18089
7491 1 17 . 1 1 84 84 ALA H H 84 7.100 7.100 7.317 -0.217 18089
7492 1 17 . 1 1 85 85 CYS N N 85 112.170 112.170 116.108 -3.938 18089
7493 1 17 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.391 0.149 18089
7494 1 17 . 1 1 85 85 CYS CA C 85 60.330 60.330 61.221 -0.891 18089
7495 1 17 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.552 3.838 18089
7496 1 17 . 1 1 85 85 CYS H H 85 7.360 7.360 7.470 -0.110 18089
7497 1 17 . 1 1 86 86 ASN N N 86 118.980 118.980 120.048 -1.068 18089
7498 1 17 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.337 0.143 18089
7499 1 17 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.200 -1.450 18089
7500 1 17 . 1 1 86 86 ASN CB C 86 42.110 42.110 37.954 4.156 18089
7501 1 17 . 1 1 86 86 ASN H H 86 8.440 8.440 8.744 -0.304 18089
7502 1 17 . 1 1 87 87 ASN N N 87 124.820 124.820 118.770 6.050 18089
7503 1 17 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.140 0.210 18089
7504 1 17 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.090 1.400 18089
7505 1 17 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.948 0.382 18089
7506 1 17 . 1 1 87 87 ASN H H 87 9.210 9.210 7.735 1.475 18089
7507 1 17 . 1 1 88 88 PHE N N 88 120.560 120.560 121.134 -0.574 18089
7508 1 17 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.497 0.613 18089
7509 1 17 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.040 0.440 18089
7510 1 17 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.870 0.590 18089
7511 1 17 . 1 1 88 88 PHE H H 88 8.690 8.690 7.968 0.722 18089
7512 1 17 . 1 1 89 89 PHE N N 89 112.650 112.650 116.565 -3.915 18089
7513 1 17 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.373 -0.613 18089
7514 1 17 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.256 0.744 18089
7515 1 17 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.017 1.002 18089
7516 1 17 . 1 1 89 89 PHE H H 89 7.440 7.440 7.889 -0.449 18089
7517 1 17 . 1 1 90 90 TRP N N 90 118.650 118.650 117.940 0.710 18089
7518 1 17 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.553 0.037 18089
7519 1 17 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.870 1.430 18089
7520 1 17 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.676 3.774 18089
7521 1 17 . 1 1 90 90 TRP H H 90 7.360 7.360 7.473 -0.113 18089
7522 1 17 . 1 1 91 91 GLU N N 91 121.410 121.410 121.192 0.218 18089
7523 1 17 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.386 -0.036 18089
7524 1 17 . 1 1 91 91 GLU CA C 91 56.490 56.490 54.269 2.221 18089
7525 1 17 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.851 0.619 18089
7526 1 17 . 1 1 91 91 GLU H H 91 7.820 7.820 7.664 0.156 18089
7527 1 17 . 1 1 92 92 ASN N N 92 120.680 120.680 118.984 1.696 18089
7528 1 17 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.739 -0.009 18089
7529 1 17 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.888 -1.068 18089
7530 1 17 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.761 0.248 18089
7531 1 17 . 1 1 92 92 ASN H H 92 8.590 8.590 8.412 0.178 18089
7532 1 18 . 1 1 2 2 SER N N 2 118.700 118.700 116.891 1.809 18089
7533 1 18 . 1 1 2 2 SER HA H 2 4.680 4.680 4.489 0.191 18089
7534 1 18 . 1 1 2 2 SER CA C 2 57.280 57.280 57.387 -0.107 18089
7535 1 18 . 1 1 2 2 SER CB C 2 65.190 65.190 64.623 0.567 18089
7536 1 18 . 1 1 2 2 SER H H 2 9.250 9.250 7.779 1.471 18089
7537 1 18 . 1 1 3 3 GLU N N 3 122.910 122.910 122.468 0.442 18089
7538 1 18 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.041 0.069 18089
7539 1 18 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.354 1.126 18089
7540 1 18 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.787 -0.777 18089
7541 1 18 . 1 1 3 3 GLU H H 3 9.250 9.250 8.756 0.494 18089
7542 1 18 . 1 1 4 4 LEU N N 4 121.150 121.150 116.744 4.406 18089
7543 1 18 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.229 -0.179 18089
7544 1 18 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.463 0.227 18089
7545 1 18 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.092 1.058 18089
7546 1 18 . 1 1 4 4 LEU H H 4 8.940 8.940 7.846 1.094 18089
7547 1 18 . 1 1 5 5 GLU N N 5 118.630 118.630 119.784 -1.154 18089
7548 1 18 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.070 -0.830 18089
7549 1 18 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.119 0.591 18089
7550 1 18 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.986 -0.016 18089
7551 1 18 . 1 1 5 5 GLU H H 5 7.840 7.840 8.422 -0.582 18089
7552 1 18 . 1 1 6 6 THR N N 6 116.040 116.040 115.306 0.734 18089
7553 1 18 . 1 1 6 6 THR HA H 6 4.000 4.000 4.072 -0.072 18089
7554 1 18 . 1 1 6 6 THR CA C 6 66.620 66.620 65.646 0.974 18089
7555 1 18 . 1 1 6 6 THR CB C 6 68.650 68.650 68.204 0.446 18089
7556 1 18 . 1 1 6 6 THR H H 6 8.430 8.430 7.847 0.583 18089
7557 1 18 . 1 1 7 7 ALA N N 7 125.730 125.730 124.625 1.105 18089
7558 1 18 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.082 0.188 18089
7559 1 18 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.045 0.544 18089
7560 1 18 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.572 -0.422 18089
7561 1 18 . 1 1 7 7 ALA H H 7 8.290 8.290 7.130 1.160 18089
7562 1 18 . 1 1 8 8 MET N N 8 115.120 115.120 115.893 -0.773 18089
7563 1 18 . 1 1 8 8 MET HA H 8 4.870 4.870 4.148 0.722 18089
7564 1 18 . 1 1 8 8 MET CA C 8 56.540 56.540 58.971 -2.431 18089
7565 1 18 . 1 1 8 8 MET CB C 8 28.950 28.950 31.857 -2.907 18089
7566 1 18 . 1 1 8 8 MET H H 8 8.100 8.100 7.542 0.558 18089
7567 1 18 . 1 1 9 9 GLU N N 9 120.560 120.560 118.035 2.525 18089
7568 1 18 . 1 1 9 9 GLU HA H 9 4.110 4.110 3.952 0.158 18089
7569 1 18 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.324 1.156 18089
7570 1 18 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.838 0.002 18089
7571 1 18 . 1 1 9 9 GLU H H 9 8.710 8.710 7.818 0.892 18089
7572 1 18 . 1 1 10 10 THR N N 10 118.800 118.800 113.527 5.273 18089
7573 1 18 . 1 1 10 10 THR HA H 10 4.120 4.120 4.138 -0.018 18089
7574 1 18 . 1 1 10 10 THR CA C 10 67.230 67.230 65.365 1.865 18089
7575 1 18 . 1 1 10 10 THR CB C 10 67.570 67.570 68.542 -0.972 18089
7576 1 18 . 1 1 10 10 THR H H 10 8.470 8.470 7.817 0.653 18089
7577 1 18 . 1 1 11 11 LEU N N 11 121.860 121.860 121.451 0.409 18089
7578 1 18 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.315 -0.205 18089
7579 1 18 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.994 2.486 18089
7580 1 18 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.632 1.308 18089
7581 1 18 . 1 1 11 11 LEU H H 11 8.340 8.340 7.725 0.615 18089
7582 1 18 . 1 1 12 12 ILE N N 12 121.270 121.270 117.834 3.436 18089
7583 1 18 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.128 -0.578 18089
7584 1 18 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.184 0.976 18089
7585 1 18 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.850 0.550 18089
7586 1 18 . 1 1 12 12 ILE H H 12 8.480 8.480 8.100 0.380 18089
7587 1 18 . 1 1 13 13 ASN N N 13 120.510 120.510 119.975 0.535 18089
7588 1 18 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.489 -0.139 18089
7589 1 18 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.306 0.184 18089
7590 1 18 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.725 0.215 18089
7591 1 18 . 1 1 13 13 ASN H H 13 8.690 8.690 8.490 0.200 18089
7592 1 18 . 1 1 14 14 VAL N N 14 121.990 121.990 118.191 3.799 18089
7593 1 18 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.970 -0.100 18089
7594 1 18 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.606 1.944 18089
7595 1 18 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.472 -0.762 18089
7596 1 18 . 1 1 14 14 VAL H H 14 8.880 8.880 7.388 1.492 18089
7597 1 18 . 1 1 15 15 PHE N N 15 120.470 120.470 120.210 0.260 18089
7598 1 18 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.684 -0.114 18089
7599 1 18 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.118 1.362 18089
7600 1 18 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.197 0.303 18089
7601 1 18 . 1 1 15 15 PHE H H 15 7.480 7.480 7.903 -0.423 18089
7602 1 18 . 1 1 16 16 HIS N N 16 118.280 118.280 116.210 2.070 18089
7603 1 18 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.443 0.807 18089
7604 1 18 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.729 -2.759 18089
7605 1 18 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.525 -0.395 18089
7606 1 18 . 1 1 16 16 HIS H H 16 9.270 9.270 8.459 0.811 18089
7607 1 18 . 1 1 17 17 ALA N N 17 121.080 121.080 123.628 -2.548 18089
7608 1 18 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.973 -0.133 18089
7609 1 18 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.414 0.026 18089
7610 1 18 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.757 -1.157 18089
7611 1 18 . 1 1 17 17 ALA H H 17 8.160 8.160 7.399 0.761 18089
7612 1 18 . 1 1 18 18 HIS N N 18 112.570 112.570 114.007 -1.437 18089
7613 1 18 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.661 -0.311 18089
7614 1 18 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.771 1.719 18089
7615 1 18 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.004 0.986 18089
7616 1 18 . 1 1 18 18 HIS H H 18 7.410 7.410 7.538 -0.128 18089
7617 1 18 . 1 1 19 19 SER HA H 19 4.110 4.110 4.068 0.042 18089
7618 1 18 . 1 1 19 19 SER CA C 19 60.480 60.480 59.923 0.557 18089
7619 1 18 . 1 1 19 19 SER CB C 19 61.800 61.800 62.820 -1.020 18089
7620 1 18 . 1 1 20 20 GLY N N 20 106.720 106.720 113.008 -6.288 18089
7621 1 18 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.158 0.082 18089
7622 1 18 . 1 1 20 20 GLY H H 20 8.260 8.260 8.248 0.012 18089
7623 1 18 . 1 1 21 21 LYS N N 21 120.240 120.240 122.084 -1.844 18089
7624 1 18 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.030 -0.040 18089
7625 1 18 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.599 -0.139 18089
7626 1 18 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.032 0.468 18089
7627 1 18 . 1 1 21 21 LYS H H 21 7.640 7.640 7.587 0.053 18089
7628 1 18 . 1 1 22 22 GLU N N 22 117.060 117.060 117.054 0.006 18089
7629 1 18 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.249 0.181 18089
7630 1 18 . 1 1 22 22 GLU CA C 22 55.380 55.380 56.228 -0.848 18089
7631 1 18 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.519 1.521 18089
7632 1 18 . 1 1 22 22 GLU H H 22 7.840 7.840 8.046 -0.206 18089
7633 1 18 . 1 1 23 23 GLY N N 23 107.770 107.770 107.166 0.604 18089
7634 1 18 . 1 1 23 23 GLY CA C 23 45.830 45.830 45.062 0.768 18089
7635 1 18 . 1 1 23 23 GLY H H 23 8.100 8.100 7.723 0.377 18089
7636 1 18 . 1 1 24 24 ASP N N 24 122.990 122.990 122.473 0.517 18089
7637 1 18 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.953 -0.373 18089
7638 1 18 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.180 0.430 18089
7639 1 18 . 1 1 24 24 ASP CB C 24 42.360 42.360 41.263 1.097 18089
7640 1 18 . 1 1 24 24 ASP H H 24 8.190 8.190 8.315 -0.125 18089
7641 1 18 . 1 1 25 25 LYS N N 25 124.920 124.920 122.843 2.077 18089
7642 1 18 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.177 -0.087 18089
7643 1 18 . 1 1 25 25 LYS CA C 25 57.370 57.370 58.096 -0.726 18089
7644 1 18 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.546 -0.536 18089
7645 1 18 . 1 1 25 25 LYS H H 25 8.440 8.440 8.814 -0.374 18089
7646 1 18 . 1 1 26 26 TYR N N 26 117.220 117.220 115.080 2.140 18089
7647 1 18 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.596 0.524 18089
7648 1 18 . 1 1 26 26 TYR CA C 26 57.380 57.380 58.645 -1.265 18089
7649 1 18 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.224 -0.524 18089
7650 1 18 . 1 1 26 26 TYR H H 26 8.490 8.490 8.193 0.297 18089
7651 1 18 . 1 1 27 27 LYS N N 27 118.300 118.300 116.999 1.301 18089
7652 1 18 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.381 0.109 18089
7653 1 18 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.024 -0.204 18089
7654 1 18 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.166 0.294 18089
7655 1 18 . 1 1 27 27 LYS H H 27 7.870 7.870 7.485 0.385 18089
7656 1 18 . 1 1 28 28 LEU N N 28 121.380 121.380 117.886 3.494 18089
7657 1 18 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.570 0.160 18089
7658 1 18 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.203 -1.383 18089
7659 1 18 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.827 0.543 18089
7660 1 18 . 1 1 28 28 LEU H H 28 8.830 8.830 8.918 -0.088 18089
7661 1 18 . 1 1 29 29 SER N N 29 120.620 120.620 114.741 5.879 18089
7662 1 18 . 1 1 29 29 SER HA H 29 5.030 5.030 5.104 -0.074 18089
7663 1 18 . 1 1 29 29 SER CA C 29 57.890 57.890 57.151 0.739 18089
7664 1 18 . 1 1 29 29 SER CB C 29 64.270 64.270 65.282 -1.012 18089
7665 1 18 . 1 1 29 29 SER H H 29 8.940 8.940 8.557 0.383 18089
7666 1 18 . 1 1 30 30 LYS N N 30 124.430 124.430 123.904 0.526 18089
7667 1 18 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.039 -0.169 18089
7668 1 18 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.228 1.402 18089
7669 1 18 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.673 -0.963 18089
7670 1 18 . 1 1 30 30 LYS H H 30 8.820 8.820 8.139 0.681 18089
7671 1 18 . 1 1 31 31 LYS N N 31 120.230 120.230 118.458 1.772 18089
7672 1 18 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.992 0.178 18089
7673 1 18 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.120 0.220 18089
7674 1 18 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.994 0.506 18089
7675 1 18 . 1 1 31 31 LYS H H 31 8.730 8.730 7.440 1.290 18089
7676 1 18 . 1 1 32 32 GLU N N 32 121.570 121.570 119.891 1.679 18089
7677 1 18 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.035 0.065 18089
7678 1 18 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.937 -0.897 18089
7679 1 18 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.200 -0.529 18089
7680 1 18 . 1 1 32 32 GLU H H 32 7.780 7.780 8.164 -0.384 18089
7681 1 18 . 1 1 33 33 LEU N N 33 121.620 121.620 119.765 1.855 18089
7682 1 18 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.983 0.017 18089
7683 1 18 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.527 -0.237 18089
7684 1 18 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.859 -1.359 18089
7685 1 18 . 1 1 33 33 LEU H H 33 8.910 8.910 7.337 1.573 18089
7686 1 18 . 1 1 34 34 LYS N N 34 120.460 120.460 119.415 1.045 18089
7687 1 18 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.999 -0.379 18089
7688 1 18 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.707 1.233 18089
7689 1 18 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.280 -0.870 18089
7690 1 18 . 1 1 34 34 LYS H H 34 8.440 8.440 7.956 0.484 18089
7691 1 18 . 1 1 35 35 GLU N N 35 117.190 117.190 119.336 -2.146 18089
7692 1 18 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.413 -0.343 18089
7693 1 18 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.860 0.410 18089
7694 1 18 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.543 -0.513 18089
7695 1 18 . 1 1 35 35 GLU H H 35 7.200 7.200 7.685 -0.485 18089
7696 1 18 . 1 1 36 36 LEU N N 36 122.760 122.760 117.890 4.870 18089
7697 1 18 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.318 -0.558 18089
7698 1 18 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.668 1.332 18089
7699 1 18 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.542 0.738 18089
7700 1 18 . 1 1 36 36 LEU H H 36 8.310 8.310 7.541 0.769 18089
7701 1 18 . 1 1 37 37 LEU N N 37 120.220 120.220 119.307 0.913 18089
7702 1 18 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.324 -0.644 18089
7703 1 18 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.490 0.830 18089
7704 1 18 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.574 -1.054 18089
7705 1 18 . 1 1 37 37 LEU H H 37 8.820 8.820 8.350 0.470 18089
7706 1 18 . 1 1 38 38 GLN N N 38 113.470 113.470 117.047 -3.577 18089
7707 1 18 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.181 -0.421 18089
7708 1 18 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.073 0.927 18089
7709 1 18 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.393 0.467 18089
7710 1 18 . 1 1 38 38 GLN H H 38 8.110 8.110 8.053 0.057 18089
7711 1 18 . 1 1 39 39 THR N N 39 109.960 109.960 112.552 -2.592 18089
7712 1 18 . 1 1 39 39 THR HA H 39 4.290 4.290 4.356 -0.066 18089
7713 1 18 . 1 1 39 39 THR CA C 39 64.560 64.560 63.601 0.959 18089
7714 1 18 . 1 1 39 39 THR CB C 39 69.750 69.750 69.296 0.454 18089
7715 1 18 . 1 1 39 39 THR H H 39 7.720 7.720 7.612 0.108 18089
7716 1 18 . 1 1 40 40 GLU N N 40 118.420 118.420 119.474 -1.054 18089
7717 1 18 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.400 0.320 18089
7718 1 18 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.803 -0.013 18089
7719 1 18 . 1 1 40 40 GLU CB C 40 30.200 30.200 32.103 -1.903 18089
7720 1 18 . 1 1 40 40 GLU H H 40 9.020 9.020 7.960 1.060 18089
7721 1 18 . 1 1 41 41 LEU N N 41 119.120 119.120 120.573 -1.453 18089
7722 1 18 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.610 0.520 18089
7723 1 18 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.572 -0.411 18089
7724 1 18 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.697 -0.656 18089
7725 1 18 . 1 1 41 41 LEU H H 41 7.760 7.760 7.690 0.070 18089
7726 1 18 . 1 1 42 42 SER N N 42 112.960 112.960 116.017 -3.057 18089
7727 1 18 . 1 1 42 42 SER HA H 42 3.870 3.870 4.409 -0.539 18089
7728 1 18 . 1 1 42 42 SER CA C 42 61.630 61.630 57.742 3.888 18089
7729 1 18 . 1 1 42 42 SER CB C 42 62.790 62.790 61.977 0.813 18089
7730 1 18 . 1 1 42 42 SER H H 42 6.940 6.940 8.150 -1.210 18089
7731 1 18 . 1 1 43 43 GLY N N 43 114.580 114.580 112.750 1.830 18089
7732 1 18 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.930 0.850 18089
7733 1 18 . 1 1 43 43 GLY H H 43 9.250 9.250 8.811 0.439 18089
7734 1 18 . 1 1 44 44 PHE N N 44 124.560 124.560 119.072 5.488 18089
7735 1 18 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.463 0.127 18089
7736 1 18 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.363 -1.883 18089
7737 1 18 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.366 -2.416 18089
7738 1 18 . 1 1 44 44 PHE H H 44 8.320 8.320 7.490 0.830 18089
7739 1 18 . 1 1 45 45 LEU N N 45 116.140 116.140 119.937 -3.797 18089
7740 1 18 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.045 0.125 18089
7741 1 18 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.695 -0.325 18089
7742 1 18 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.781 0.469 18089
7743 1 18 . 1 1 45 45 LEU H H 45 8.650 8.650 8.147 0.503 18089
7744 1 18 . 1 1 46 46 ASP N N 46 119.960 119.960 115.935 4.025 18089
7745 1 18 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.562 0.148 18089
7746 1 18 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.943 0.697 18089
7747 1 18 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.089 0.431 18089
7748 1 18 . 1 1 46 46 ASP H H 46 7.730 7.730 7.742 -0.012 18089
7749 1 18 . 1 1 47 47 ALA N N 47 124.260 124.260 121.802 2.458 18089
7750 1 18 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.629 -0.009 18089
7751 1 18 . 1 1 47 47 ALA CA C 47 50.510 50.510 51.903 -1.393 18089
7752 1 18 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.001 -1.151 18089
7753 1 18 . 1 1 47 47 ALA H H 47 7.740 7.740 7.500 0.240 18089
7754 1 18 . 1 1 48 48 GLN N N 48 117.380 117.380 123.754 -6.374 18089
7755 1 18 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.402 -0.312 18089
7756 1 18 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.296 2.074 18089
7757 1 18 . 1 1 48 48 GLN CB C 48 30.470 30.470 29.485 0.985 18089
7758 1 18 . 1 1 48 48 GLN H H 48 7.650 7.650 8.365 -0.715 18089
7759 1 18 . 1 1 49 49 LYS N N 49 121.400 121.400 123.010 -1.610 18089
7760 1 18 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.246 -0.116 18089
7761 1 18 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.335 -0.095 18089
7762 1 18 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.937 -2.017 18089
7763 1 18 . 1 1 49 49 LYS H H 49 8.000 8.000 8.540 -0.540 18089
7764 1 18 . 1 1 50 50 ASP N N 50 119.180 119.180 122.748 -3.568 18089
7765 1 18 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.771 -0.111 18089
7766 1 18 . 1 1 50 50 ASP CA C 50 51.600 51.600 54.031 -2.431 18089
7767 1 18 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.718 0.142 18089
7768 1 18 . 1 1 50 50 ASP H H 50 7.500 7.500 7.789 -0.289 18089
7769 1 18 . 1 1 51 51 VAL N N 51 122.100 122.100 125.568 -3.468 18089
7770 1 18 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.656 0.204 18089
7771 1 18 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.173 -1.423 18089
7772 1 18 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.789 0.181 18089
7773 1 18 . 1 1 51 51 VAL H H 51 7.670 7.670 8.342 -0.672 18089
7774 1 18 . 1 1 52 52 ASP N N 52 119.490 119.490 119.909 -0.419 18089
7775 1 18 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.333 0.017 18089
7776 1 18 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.532 -0.372 18089
7777 1 18 . 1 1 52 52 ASP CB C 52 40.600 40.600 39.967 0.633 18089
7778 1 18 . 1 1 52 52 ASP H H 52 8.130 8.130 8.434 -0.304 18089
7779 1 18 . 1 1 53 53 ALA N N 53 122.220 122.220 121.763 0.457 18089
7780 1 18 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.219 -0.199 18089
7781 1 18 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.833 -0.273 18089
7782 1 18 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.664 0.076 18089
7783 1 18 . 1 1 53 53 ALA H H 53 7.540 7.540 7.491 0.049 18089
7784 1 18 . 1 1 54 54 VAL N N 54 118.080 118.080 119.048 -0.968 18089
7785 1 18 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.596 -0.246 18089
7786 1 18 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.624 -0.044 18089
7787 1 18 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.145 0.575 18089
7788 1 18 . 1 1 54 54 VAL H H 54 7.310 7.310 8.281 -0.971 18089
7789 1 18 . 1 1 55 55 ASP N N 55 119.630 119.630 119.188 0.442 18089
7790 1 18 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.448 -0.168 18089
7791 1 18 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.179 0.201 18089
7792 1 18 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.730 0.180 18089
7793 1 18 . 1 1 55 55 ASP H H 55 8.530 8.530 8.747 -0.217 18089
7794 1 18 . 1 1 56 56 LYS N N 56 118.060 118.060 120.096 -2.036 18089
7795 1 18 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.179 -0.249 18089
7796 1 18 . 1 1 56 56 LYS CA C 56 59.820 59.820 58.791 1.029 18089
7797 1 18 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.405 0.095 18089
7798 1 18 . 1 1 56 56 LYS H H 56 7.950 7.950 7.188 0.762 18089
7799 1 18 . 1 1 57 57 VAL N N 57 119.310 119.310 121.210 -1.900 18089
7800 1 18 . 1 1 57 57 VAL HA H 57 3.720 3.720 4.037 -0.317 18089
7801 1 18 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.451 1.609 18089
7802 1 18 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.741 0.349 18089
7803 1 18 . 1 1 57 57 VAL H H 57 7.280 7.280 8.074 -0.794 18089
7804 1 18 . 1 1 58 58 MET N N 58 115.980 115.980 119.265 -3.285 18089
7805 1 18 . 1 1 58 58 MET HA H 58 4.090 4.090 4.052 0.038 18089
7806 1 18 . 1 1 58 58 MET CA C 58 57.370 57.370 59.201 -1.831 18089
7807 1 18 . 1 1 58 58 MET CB C 58 31.310 31.310 31.676 -0.366 18089
7808 1 18 . 1 1 58 58 MET H H 58 8.360 8.360 8.323 0.037 18089
7809 1 18 . 1 1 59 59 LYS N N 59 118.900 118.900 117.424 1.476 18089
7810 1 18 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.048 0.022 18089
7811 1 18 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.245 0.025 18089
7812 1 18 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.817 0.693 18089
7813 1 18 . 1 1 59 59 LYS H H 59 8.620 8.620 7.704 0.916 18089
7814 1 18 . 1 1 60 60 GLU N N 60 119.830 119.830 121.289 -1.459 18089
7815 1 18 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.393 -0.323 18089
7816 1 18 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.693 0.577 18089
7817 1 18 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.127 -1.467 18089
7818 1 18 . 1 1 60 60 GLU H H 60 7.430 7.430 7.542 -0.112 18089
7819 1 18 . 1 1 61 61 LEU N N 61 116.920 116.920 121.473 -4.553 18089
7820 1 18 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.140 -0.190 18089
7821 1 18 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.641 -0.371 18089
7822 1 18 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.432 -0.882 18089
7823 1 18 . 1 1 61 61 LEU H H 61 7.580 7.580 8.614 -1.034 18089
7824 1 18 . 1 1 62 62 ASP N N 62 116.060 116.060 117.604 -1.544 18089
7825 1 18 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.374 0.086 18089
7826 1 18 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.797 -0.637 18089
7827 1 18 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.009 0.631 18089
7828 1 18 . 1 1 62 62 ASP H H 62 7.610 7.610 8.372 -0.762 18089
7829 1 18 . 1 1 63 63 GLU N N 63 118.870 118.870 115.322 3.548 18089
7830 1 18 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.352 -0.252 18089
7831 1 18 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.755 0.285 18089
7832 1 18 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.257 -0.207 18089
7833 1 18 . 1 1 63 63 GLU H H 63 8.120 8.120 7.621 0.499 18089
7834 1 18 . 1 1 64 64 ASN N N 64 117.720 117.720 117.869 -0.149 18089
7835 1 18 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.872 0.288 18089
7836 1 18 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.812 -1.882 18089
7837 1 18 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.996 -0.346 18089
7838 1 18 . 1 1 64 64 ASN H H 64 7.720 7.720 8.058 -0.338 18089
7839 1 18 . 1 1 65 65 GLY N N 65 107.110 107.110 110.545 -3.435 18089
7840 1 18 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.300 0.610 18089
7841 1 18 . 1 1 65 65 GLY H H 65 7.750 7.750 8.587 -0.837 18089
7842 1 18 . 1 1 66 66 ASP N N 66 115.600 115.600 120.523 -4.923 18089
7843 1 18 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.584 0.256 18089
7844 1 18 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.880 -0.831 18089
7845 1 18 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.558 0.042 18089
7846 1 18 . 1 1 66 66 ASP H H 66 8.320 8.320 8.216 0.104 18089
7847 1 18 . 1 1 67 67 GLY N N 67 109.220 109.220 108.632 0.588 18089
7848 1 18 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.702 0.108 18089
7849 1 18 . 1 1 67 67 GLY H H 67 8.260 8.260 7.689 0.571 18089
7850 1 18 . 1 1 68 68 GLU N N 68 117.450 117.450 118.985 -1.535 18089
7851 1 18 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.351 -0.101 18089
7852 1 18 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.421 -0.451 18089
7853 1 18 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.351 1.569 18089
7854 1 18 . 1 1 68 68 GLU H H 68 8.500 8.500 8.397 0.103 18089
7855 1 18 . 1 1 69 69 VAL N N 69 115.390 115.390 118.125 -2.735 18089
7856 1 18 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.732 0.238 18089
7857 1 18 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.164 -0.034 18089
7858 1 18 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.930 0.160 18089
7859 1 18 . 1 1 69 69 VAL H H 69 9.190 9.190 9.174 0.016 18089
7860 1 18 . 1 1 70 70 ASP N N 70 120.970 120.970 117.892 3.078 18089
7861 1 18 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.202 0.368 18089
7862 1 18 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.806 -1.766 18089
7863 1 18 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.253 -0.513 18089
7864 1 18 . 1 1 70 70 ASP H H 70 8.300 8.300 8.148 0.152 18089
7865 1 18 . 1 1 71 71 PHE N N 71 119.360 119.360 120.029 -0.669 18089
7866 1 18 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.032 0.448 18089
7867 1 18 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.326 -0.826 18089
7868 1 18 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.790 0.810 18089
7869 1 18 . 1 1 71 71 PHE H H 71 9.520 9.520 8.951 0.569 18089
7870 1 18 . 1 1 72 72 GLN N N 72 116.880 116.880 118.765 -1.885 18089
7871 1 18 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.920 -0.500 18089
7872 1 18 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.083 1.697 18089
7873 1 18 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.354 0.626 18089
7874 1 18 . 1 1 72 72 GLN H H 72 8.180 8.180 8.421 -0.241 18089
7875 1 18 . 1 1 73 73 GLU N N 73 119.720 119.720 118.915 0.805 18089
7876 1 18 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.029 -0.039 18089
7877 1 18 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.629 0.561 18089
7878 1 18 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.286 1.184 18089
7879 1 18 . 1 1 73 73 GLU H H 73 8.250 8.250 8.659 -0.409 18089
7880 1 18 . 1 1 74 74 TYR N N 74 122.440 122.440 121.887 0.553 18089
7881 1 18 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.136 0.204 18089
7882 1 18 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.101 -0.831 18089
7883 1 18 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.111 -1.291 18089
7884 1 18 . 1 1 74 74 TYR H H 74 8.250 8.250 8.275 -0.025 18089
7885 1 18 . 1 1 75 75 VAL N N 75 120.220 120.220 117.733 2.487 18089
7886 1 18 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.278 -0.618 18089
7887 1 18 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.877 1.103 18089
7888 1 18 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.494 -1.014 18089
7889 1 18 . 1 1 75 75 VAL H H 75 8.010 8.010 7.667 0.343 18089
7890 1 18 . 1 1 76 76 VAL N N 76 119.350 119.350 120.407 -1.057 18089
7891 1 18 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.685 -0.335 18089
7892 1 18 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.374 1.236 18089
7893 1 18 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.677 0.033 18089
7894 1 18 . 1 1 76 76 VAL H H 76 7.540 7.540 7.750 -0.210 18089
7895 1 18 . 1 1 77 77 LEU N N 77 121.420 121.420 120.705 0.715 18089
7896 1 18 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.835 0.345 18089
7897 1 18 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.547 -0.287 18089
7898 1 18 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.518 0.432 18089
7899 1 18 . 1 1 77 77 LEU H H 77 7.760 7.760 8.365 -0.605 18089
7900 1 18 . 1 1 78 78 VAL N N 78 119.530 119.530 114.072 5.458 18089
7901 1 18 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.725 -0.285 18089
7902 1 18 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.501 1.730 18089
7903 1 18 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.778 0.632 18089
7904 1 18 . 1 1 78 78 VAL H H 78 8.370 8.370 7.172 1.198 18089
7905 1 18 . 1 1 79 79 ALA N N 79 125.030 125.030 122.661 2.369 18089
7906 1 18 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.106 -0.076 18089
7907 1 18 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.227 1.843 18089
7908 1 18 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.194 -0.174 18089
7909 1 18 . 1 1 79 79 ALA H H 79 9.070 9.070 7.063 2.007 18089
7910 1 18 . 1 1 80 80 ALA N N 80 122.060 122.060 121.680 0.380 18089
7911 1 18 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.859 0.131 18089
7912 1 18 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.023 0.358 18089
7913 1 18 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.147 -0.587 18089
7914 1 18 . 1 1 80 80 ALA H H 80 8.350 8.350 8.501 -0.151 18089
7915 1 18 . 1 1 81 81 LEU N N 81 117.650 117.650 115.635 2.015 18089
7916 1 18 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.762 0.288 18089
7917 1 18 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.155 0.535 18089
7918 1 18 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.071 0.759 18089
7919 1 18 . 1 1 81 81 LEU H H 81 8.060 8.060 7.427 0.633 18089
7920 1 18 . 1 1 82 82 THR N N 82 117.560 117.560 115.295 2.265 18089
7921 1 18 . 1 1 82 82 THR HA H 82 3.680 3.680 2.823 0.857 18089
7922 1 18 . 1 1 82 82 THR CA C 82 68.820 68.820 66.346 2.474 18089
7923 1 18 . 1 1 82 82 THR CB C 82 67.570 67.570 67.850 -0.281 18089
7924 1 18 . 1 1 82 82 THR H H 82 8.320 8.320 6.802 1.518 18089
7925 1 18 . 1 1 83 83 VAL N N 83 121.390 121.390 117.236 4.154 18089
7926 1 18 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.595 -0.505 18089
7927 1 18 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.576 -0.456 18089
7928 1 18 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.957 -0.077 18089
7929 1 18 . 1 1 83 83 VAL H H 83 8.000 8.000 7.596 0.404 18089
7930 1 18 . 1 1 84 84 ALA N N 84 116.970 116.970 122.773 -5.803 18089
7931 1 18 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.037 0.543 18089
7932 1 18 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.033 -1.393 18089
7933 1 18 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.048 2.772 18089
7934 1 18 . 1 1 84 84 ALA H H 84 7.100 7.100 7.440 -0.340 18089
7935 1 18 . 1 1 85 85 CYS N N 85 112.170 112.170 115.083 -2.913 18089
7936 1 18 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.569 -0.029 18089
7937 1 18 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.100 1.230 18089
7938 1 18 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.674 4.716 18089
7939 1 18 . 1 1 85 85 CYS H H 85 7.360 7.360 7.678 -0.318 18089
7940 1 18 . 1 1 86 86 ASN N N 86 118.980 118.980 120.593 -1.613 18089
7941 1 18 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.826 -0.346 18089
7942 1 18 . 1 1 86 86 ASN CA C 86 54.750 54.750 56.776 -2.026 18089
7943 1 18 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.990 3.120 18089
7944 1 18 . 1 1 86 86 ASN H H 86 8.440 8.440 8.768 -0.328 18089
7945 1 18 . 1 1 87 87 ASN N N 87 124.820 124.820 119.920 4.900 18089
7946 1 18 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.101 0.249 18089
7947 1 18 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.298 1.192 18089
7948 1 18 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.743 0.587 18089
7949 1 18 . 1 1 87 87 ASN H H 87 9.210 9.210 7.589 1.621 18089
7950 1 18 . 1 1 88 88 PHE N N 88 120.560 120.560 120.701 -0.141 18089
7951 1 18 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.386 0.724 18089
7952 1 18 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.613 0.867 18089
7953 1 18 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.659 0.801 18089
7954 1 18 . 1 1 88 88 PHE H H 88 8.690 8.690 7.609 1.081 18089
7955 1 18 . 1 1 89 89 PHE N N 89 112.650 112.650 117.342 -4.692 18089
7956 1 18 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.089 -0.329 18089
7957 1 18 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.712 0.288 18089
7958 1 18 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.225 0.795 18089
7959 1 18 . 1 1 89 89 PHE H H 89 7.440 7.440 8.186 -0.746 18089
7960 1 18 . 1 1 90 90 TRP N N 90 118.650 118.650 117.598 1.052 18089
7961 1 18 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.532 0.058 18089
7962 1 18 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.014 1.286 18089
7963 1 18 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.278 4.172 18089
7964 1 18 . 1 1 90 90 TRP H H 90 7.360 7.360 7.164 0.196 18089
7965 1 18 . 1 1 91 91 GLU N N 91 121.410 121.410 120.119 1.291 18089
7966 1 18 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.196 0.154 18089
7967 1 18 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.559 -0.068 18089
7968 1 18 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.879 0.591 18089
7969 1 18 . 1 1 91 91 GLU H H 91 7.820 7.820 7.875 -0.055 18089
7970 1 18 . 1 1 92 92 ASN N N 92 120.680 120.680 119.984 0.696 18089
7971 1 18 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.686 0.044 18089
7972 1 18 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.802 -0.982 18089
7973 1 18 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.725 0.284 18089
7974 1 18 . 1 1 92 92 ASN H H 92 8.590 8.590 8.414 0.176 18089
7975 1 19 . 1 1 2 2 SER N N 2 118.700 118.700 116.831 1.869 18089
7976 1 19 . 1 1 2 2 SER HA H 2 4.680 4.680 4.526 0.154 18089
7977 1 19 . 1 1 2 2 SER CA C 2 57.280 57.280 58.118 -0.838 18089
7978 1 19 . 1 1 2 2 SER CB C 2 65.190 65.190 64.782 0.408 18089
7979 1 19 . 1 1 2 2 SER H H 2 9.250 9.250 8.184 1.066 18089
7980 1 19 . 1 1 3 3 GLU N N 3 122.910 122.910 122.133 0.777 18089
7981 1 19 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.047 0.063 18089
7982 1 19 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.303 1.177 18089
7983 1 19 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.797 -0.787 18089
7984 1 19 . 1 1 3 3 GLU H H 3 9.250 9.250 8.759 0.491 18089
7985 1 19 . 1 1 4 4 LEU N N 4 121.150 121.150 116.773 4.377 18089
7986 1 19 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.222 -0.172 18089
7987 1 19 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.466 0.224 18089
7988 1 19 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.125 1.025 18089
7989 1 19 . 1 1 4 4 LEU H H 4 8.940 8.940 7.841 1.099 18089
7990 1 19 . 1 1 5 5 GLU N N 5 118.630 118.630 119.779 -1.149 18089
7991 1 19 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.075 -0.835 18089
7992 1 19 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.084 0.626 18089
7993 1 19 . 1 1 5 5 GLU CB C 5 28.970 28.970 28.972 -0.002 18089
7994 1 19 . 1 1 5 5 GLU H H 5 7.840 7.840 8.438 -0.598 18089
7995 1 19 . 1 1 6 6 THR N N 6 116.040 116.040 115.287 0.753 18089
7996 1 19 . 1 1 6 6 THR HA H 6 4.000 4.000 4.078 -0.078 18089
7997 1 19 . 1 1 6 6 THR CA C 6 66.620 66.620 65.584 1.036 18089
7998 1 19 . 1 1 6 6 THR CB C 6 68.650 68.650 68.191 0.459 18089
7999 1 19 . 1 1 6 6 THR H H 6 8.430 8.430 7.787 0.643 18089
8000 1 19 . 1 1 7 7 ALA N N 7 125.730 125.730 124.904 0.826 18089
8001 1 19 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.116 0.154 18089
8002 1 19 . 1 1 7 7 ALA CA C 7 55.590 55.590 55.023 0.567 18089
8003 1 19 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.528 -0.378 18089
8004 1 19 . 1 1 7 7 ALA H H 7 8.290 8.290 7.150 1.140 18089
8005 1 19 . 1 1 8 8 MET N N 8 115.120 115.120 115.942 -0.822 18089
8006 1 19 . 1 1 8 8 MET HA H 8 4.870 4.870 4.152 0.718 18089
8007 1 19 . 1 1 8 8 MET CA C 8 56.540 56.540 58.824 -2.284 18089
8008 1 19 . 1 1 8 8 MET CB C 8 28.950 28.950 31.913 -2.963 18089
8009 1 19 . 1 1 8 8 MET H H 8 8.100 8.100 7.561 0.539 18089
8010 1 19 . 1 1 9 9 GLU N N 9 120.560 120.560 118.966 1.594 18089
8011 1 19 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.024 0.086 18089
8012 1 19 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.279 1.201 18089
8013 1 19 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.972 -0.132 18089
8014 1 19 . 1 1 9 9 GLU H H 9 8.710 8.710 7.850 0.860 18089
8015 1 19 . 1 1 10 10 THR N N 10 118.800 118.800 113.725 5.075 18089
8016 1 19 . 1 1 10 10 THR HA H 10 4.120 4.120 4.107 0.013 18089
8017 1 19 . 1 1 10 10 THR CA C 10 67.230 67.230 65.227 2.003 18089
8018 1 19 . 1 1 10 10 THR CB C 10 67.570 67.570 68.745 -1.175 18089
8019 1 19 . 1 1 10 10 THR H H 10 8.470 8.470 7.871 0.599 18089
8020 1 19 . 1 1 11 11 LEU N N 11 121.860 121.860 121.272 0.588 18089
8021 1 19 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.290 -0.180 18089
8022 1 19 . 1 1 11 11 LEU CA C 11 60.480 60.480 58.105 2.375 18089
8023 1 19 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.855 1.085 18089
8024 1 19 . 1 1 11 11 LEU H H 11 8.340 8.340 7.831 0.509 18089
8025 1 19 . 1 1 12 12 ILE N N 12 121.270 121.270 117.921 3.349 18089
8026 1 19 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.072 -0.522 18089
8027 1 19 . 1 1 12 12 ILE CA C 12 66.160 66.160 65.377 0.783 18089
8028 1 19 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.817 0.583 18089
8029 1 19 . 1 1 12 12 ILE H H 12 8.480 8.480 8.117 0.363 18089
8030 1 19 . 1 1 13 13 ASN N N 13 120.510 120.510 119.908 0.602 18089
8031 1 19 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.498 -0.148 18089
8032 1 19 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.332 0.158 18089
8033 1 19 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.701 0.239 18089
8034 1 19 . 1 1 13 13 ASN H H 13 8.690 8.690 8.606 0.084 18089
8035 1 19 . 1 1 14 14 VAL N N 14 121.990 121.990 118.975 3.015 18089
8036 1 19 . 1 1 14 14 VAL HA H 14 3.870 3.870 4.023 -0.153 18089
8037 1 19 . 1 1 14 14 VAL CA C 14 66.550 66.550 63.868 2.682 18089
8038 1 19 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.111 -0.401 18089
8039 1 19 . 1 1 14 14 VAL H H 14 8.880 8.880 7.452 1.428 18089
8040 1 19 . 1 1 15 15 PHE N N 15 120.470 120.470 120.581 -0.111 18089
8041 1 19 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.726 -0.156 18089
8042 1 19 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.322 1.158 18089
8043 1 19 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.167 0.333 18089
8044 1 19 . 1 1 15 15 PHE H H 15 7.480 7.480 8.241 -0.761 18089
8045 1 19 . 1 1 16 16 HIS N N 16 118.280 118.280 117.663 0.617 18089
8046 1 19 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.409 0.841 18089
8047 1 19 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.578 -2.608 18089
8048 1 19 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.174 -0.044 18089
8049 1 19 . 1 1 16 16 HIS H H 16 9.270 9.270 8.543 0.727 18089
8050 1 19 . 1 1 17 17 ALA N N 17 121.080 121.080 121.014 0.066 18089
8051 1 19 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.959 -0.119 18089
8052 1 19 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.233 0.207 18089
8053 1 19 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.884 -1.284 18089
8054 1 19 . 1 1 17 17 ALA H H 17 8.160 8.160 7.480 0.680 18089
8055 1 19 . 1 1 18 18 HIS N N 18 112.570 112.570 112.493 0.077 18089
8056 1 19 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.673 -0.323 18089
8057 1 19 . 1 1 18 18 HIS CA C 18 56.490 56.490 54.278 2.212 18089
8058 1 19 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.644 0.346 18089
8059 1 19 . 1 1 18 18 HIS H H 18 7.410 7.410 7.551 -0.141 18089
8060 1 19 . 1 1 19 19 SER HA H 19 4.110 4.110 4.215 -0.105 18089
8061 1 19 . 1 1 19 19 SER CA C 19 60.480 60.480 57.051 3.429 18089
8062 1 19 . 1 1 19 19 SER CB C 19 61.800 61.800 64.609 -2.809 18089
8063 1 19 . 1 1 20 20 GLY N N 20 106.720 106.720 110.653 -3.933 18089
8064 1 19 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.591 -0.351 18089
8065 1 19 . 1 1 20 20 GLY H H 20 8.260 8.260 8.291 -0.031 18089
8066 1 19 . 1 1 21 21 LYS N N 21 120.240 120.240 119.812 0.428 18089
8067 1 19 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.253 -0.263 18089
8068 1 19 . 1 1 21 21 LYS CA C 21 58.460 58.460 57.243 1.217 18089
8069 1 19 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.343 0.157 18089
8070 1 19 . 1 1 21 21 LYS H H 21 7.640 7.640 8.231 -0.591 18089
8071 1 19 . 1 1 22 22 GLU N N 22 117.060 117.060 119.009 -1.949 18089
8072 1 19 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.155 0.275 18089
8073 1 19 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.516 -2.136 18089
8074 1 19 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.910 1.130 18089
8075 1 19 . 1 1 22 22 GLU H H 22 7.840 7.840 8.393 -0.553 18089
8076 1 19 . 1 1 23 23 GLY N N 23 107.770 107.770 103.758 4.012 18089
8077 1 19 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.843 0.987 18089
8078 1 19 . 1 1 23 23 GLY H H 23 8.100 8.100 8.384 -0.284 18089
8079 1 19 . 1 1 24 24 ASP N N 24 122.990 122.990 119.500 3.490 18089
8080 1 19 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.929 -0.349 18089
8081 1 19 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.757 0.853 18089
8082 1 19 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.725 -1.365 18089
8083 1 19 . 1 1 24 24 ASP H H 24 8.190 8.190 7.813 0.377 18089
8084 1 19 . 1 1 25 25 LYS N N 25 124.920 124.920 119.442 5.478 18089
8085 1 19 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.123 -0.033 18089
8086 1 19 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.304 0.066 18089
8087 1 19 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.555 -0.545 18089
8088 1 19 . 1 1 25 25 LYS H H 25 8.440 8.440 8.566 -0.127 18089
8089 1 19 . 1 1 26 26 TYR N N 26 117.220 117.220 115.187 2.033 18089
8090 1 19 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.791 0.329 18089
8091 1 19 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.360 0.020 18089
8092 1 19 . 1 1 26 26 TYR CB C 26 37.700 37.700 37.747 -0.047 18089
8093 1 19 . 1 1 26 26 TYR H H 26 8.490 8.490 8.006 0.484 18089
8094 1 19 . 1 1 27 27 LYS N N 27 118.300 118.300 118.531 -0.231 18089
8095 1 19 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.487 0.003 18089
8096 1 19 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.468 -0.648 18089
8097 1 19 . 1 1 27 27 LYS CB C 27 37.460 37.460 36.895 0.564 18089
8098 1 19 . 1 1 27 27 LYS H H 27 7.870 7.870 7.356 0.514 18089
8099 1 19 . 1 1 28 28 LEU N N 28 121.380 121.380 121.085 0.295 18089
8100 1 19 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.616 0.114 18089
8101 1 19 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.421 -1.601 18089
8102 1 19 . 1 1 28 28 LEU CB C 28 46.370 46.370 46.189 0.181 18089
8103 1 19 . 1 1 28 28 LEU H H 28 8.830 8.830 8.887 -0.057 18089
8104 1 19 . 1 1 29 29 SER N N 29 120.620 120.620 116.766 3.854 18089
8105 1 19 . 1 1 29 29 SER HA H 29 5.030 5.030 4.937 0.093 18089
8106 1 19 . 1 1 29 29 SER CA C 29 57.890 57.890 58.510 -0.620 18089
8107 1 19 . 1 1 29 29 SER CB C 29 64.270 64.270 64.479 -0.209 18089
8108 1 19 . 1 1 29 29 SER H H 29 8.940 8.940 8.685 0.255 18089
8109 1 19 . 1 1 30 30 LYS N N 30 124.430 124.430 122.847 1.583 18089
8110 1 19 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.113 -0.243 18089
8111 1 19 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.186 1.444 18089
8112 1 19 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.736 -1.026 18089
8113 1 19 . 1 1 30 30 LYS H H 30 8.820 8.820 8.601 0.219 18089
8114 1 19 . 1 1 31 31 LYS N N 31 120.230 120.230 118.739 1.491 18089
8115 1 19 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.920 0.250 18089
8116 1 19 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.205 0.135 18089
8117 1 19 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.793 0.707 18089
8118 1 19 . 1 1 31 31 LYS H H 31 8.730 8.730 7.684 1.046 18089
8119 1 19 . 1 1 32 32 GLU N N 32 121.570 121.570 119.759 1.811 18089
8120 1 19 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.011 0.089 18089
8121 1 19 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.094 -1.054 18089
8122 1 19 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.048 -0.378 18089
8123 1 19 . 1 1 32 32 GLU H H 32 7.780 7.780 7.736 0.044 18089
8124 1 19 . 1 1 33 33 LEU N N 33 121.620 121.620 119.025 2.595 18089
8125 1 19 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.847 0.153 18089
8126 1 19 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.719 -0.429 18089
8127 1 19 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.543 -1.043 18089
8128 1 19 . 1 1 33 33 LEU H H 33 8.910 8.910 7.572 1.338 18089
8129 1 19 . 1 1 34 34 LYS N N 34 120.460 120.460 118.758 1.702 18089
8130 1 19 . 1 1 34 34 LYS HA H 34 3.620 3.620 4.019 -0.399 18089
8131 1 19 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.445 1.495 18089
8132 1 19 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.255 -0.845 18089
8133 1 19 . 1 1 34 34 LYS H H 34 8.440 8.440 7.997 0.443 18089
8134 1 19 . 1 1 35 35 GLU N N 35 117.190 117.190 118.640 -1.450 18089
8135 1 19 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.377 -0.307 18089
8136 1 19 . 1 1 35 35 GLU CA C 35 59.270 59.270 59.000 0.270 18089
8137 1 19 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.956 -0.926 18089
8138 1 19 . 1 1 35 35 GLU H H 35 7.200 7.200 7.821 -0.621 18089
8139 1 19 . 1 1 36 36 LEU N N 36 122.760 122.760 117.788 4.972 18089
8140 1 19 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.245 -0.485 18089
8141 1 19 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.820 1.180 18089
8142 1 19 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.437 0.843 18089
8143 1 19 . 1 1 36 36 LEU H H 36 8.310 8.310 7.577 0.733 18089
8144 1 19 . 1 1 37 37 LEU N N 37 120.220 120.220 119.123 1.097 18089
8145 1 19 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.314 -0.634 18089
8146 1 19 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.469 0.851 18089
8147 1 19 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.529 -1.009 18089
8148 1 19 . 1 1 37 37 LEU H H 37 8.820 8.820 8.257 0.563 18089
8149 1 19 . 1 1 38 38 GLN N N 38 113.470 113.470 117.095 -3.625 18089
8150 1 19 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.184 -0.424 18089
8151 1 19 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.153 0.847 18089
8152 1 19 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.439 0.422 18089
8153 1 19 . 1 1 38 38 GLN H H 38 8.110 8.110 8.064 0.046 18089
8154 1 19 . 1 1 39 39 THR N N 39 109.960 109.960 112.901 -2.941 18089
8155 1 19 . 1 1 39 39 THR HA H 39 4.290 4.290 4.366 -0.076 18089
8156 1 19 . 1 1 39 39 THR CA C 39 64.560 64.560 63.627 0.933 18089
8157 1 19 . 1 1 39 39 THR CB C 39 69.750 69.750 69.532 0.218 18089
8158 1 19 . 1 1 39 39 THR H H 39 7.720 7.720 7.545 0.175 18089
8159 1 19 . 1 1 40 40 GLU N N 40 118.420 118.420 119.373 -0.953 18089
8160 1 19 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.399 0.321 18089
8161 1 19 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.828 -0.038 18089
8162 1 19 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.951 -1.751 18089
8163 1 19 . 1 1 40 40 GLU H H 40 9.020 9.020 7.948 1.072 18089
8164 1 19 . 1 1 41 41 LEU N N 41 119.120 119.120 121.017 -1.897 18089
8165 1 19 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.611 0.519 18089
8166 1 19 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.492 -0.332 18089
8167 1 19 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.585 -0.545 18089
8168 1 19 . 1 1 41 41 LEU H H 41 7.760 7.760 7.629 0.131 18089
8169 1 19 . 1 1 42 42 SER N N 42 112.960 112.960 116.531 -3.571 18089
8170 1 19 . 1 1 42 42 SER HA H 42 3.870 3.870 4.432 -0.562 18089
8171 1 19 . 1 1 42 42 SER CA C 42 61.630 61.630 57.738 3.892 18089
8172 1 19 . 1 1 42 42 SER CB C 42 62.790 62.790 61.081 1.709 18089
8173 1 19 . 1 1 42 42 SER H H 42 6.940 6.940 7.988 -1.048 18089
8174 1 19 . 1 1 43 43 GLY N N 43 114.580 114.580 112.094 2.486 18089
8175 1 19 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.574 1.206 18089
8176 1 19 . 1 1 43 43 GLY H H 43 9.250 9.250 8.668 0.582 18089
8177 1 19 . 1 1 44 44 PHE N N 44 124.560 124.560 118.658 5.902 18089
8178 1 19 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.310 0.280 18089
8179 1 19 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.634 -2.154 18089
8180 1 19 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.803 -2.853 18089
8181 1 19 . 1 1 44 44 PHE H H 44 8.320 8.320 7.652 0.668 18089
8182 1 19 . 1 1 45 45 LEU N N 45 116.140 116.140 119.181 -3.041 18089
8183 1 19 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.029 0.141 18089
8184 1 19 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.938 -0.569 18089
8185 1 19 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.888 0.362 18089
8186 1 19 . 1 1 45 45 LEU H H 45 8.650 8.650 7.717 0.933 18089
8187 1 19 . 1 1 46 46 ASP N N 46 119.960 119.960 117.413 2.547 18089
8188 1 19 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.543 0.167 18089
8189 1 19 . 1 1 46 46 ASP CA C 46 55.640 55.640 54.999 0.640 18089
8190 1 19 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.895 0.625 18089
8191 1 19 . 1 1 46 46 ASP H H 46 7.730 7.730 8.026 -0.296 18089
8192 1 19 . 1 1 47 47 ALA N N 47 124.260 124.260 119.882 4.378 18089
8193 1 19 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.553 0.067 18089
8194 1 19 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.341 -1.831 18089
8195 1 19 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.325 -1.475 18089
8196 1 19 . 1 1 47 47 ALA H H 47 7.740 7.740 7.445 0.295 18089
8197 1 19 . 1 1 48 48 GLN N N 48 117.380 117.380 118.255 -0.875 18089
8198 1 19 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.007 0.083 18089
8199 1 19 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.493 0.877 18089
8200 1 19 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.820 2.650 18089
8201 1 19 . 1 1 48 48 GLN H H 48 7.650 7.650 8.585 -0.935 18089
8202 1 19 . 1 1 49 49 LYS N N 49 121.400 121.400 120.382 1.018 18089
8203 1 19 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.347 -0.217 18089
8204 1 19 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.344 -0.104 18089
8205 1 19 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.986 -2.066 18089
8206 1 19 . 1 1 49 49 LYS H H 49 8.000 8.000 8.231 -0.231 18089
8207 1 19 . 1 1 50 50 ASP N N 50 119.180 119.180 122.932 -3.752 18089
8208 1 19 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.862 -0.202 18089
8209 1 19 . 1 1 50 50 ASP CA C 50 51.600 51.600 54.024 -2.424 18089
8210 1 19 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.661 0.199 18089
8211 1 19 . 1 1 50 50 ASP H H 50 7.500 7.500 7.790 -0.290 18089
8212 1 19 . 1 1 51 51 VAL N N 51 122.100 122.100 125.040 -2.940 18089
8213 1 19 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.630 0.230 18089
8214 1 19 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.141 -1.391 18089
8215 1 19 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.826 0.144 18089
8216 1 19 . 1 1 51 51 VAL H H 51 7.670 7.670 8.568 -0.898 18089
8217 1 19 . 1 1 52 52 ASP N N 52 119.490 119.490 119.908 -0.418 18089
8218 1 19 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.352 -0.002 18089
8219 1 19 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.566 -0.406 18089
8220 1 19 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.044 0.556 18089
8221 1 19 . 1 1 52 52 ASP H H 52 8.130 8.130 8.470 -0.340 18089
8222 1 19 . 1 1 53 53 ALA N N 53 122.220 122.220 121.954 0.266 18089
8223 1 19 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.300 -0.280 18089
8224 1 19 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.886 -0.326 18089
8225 1 19 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.886 -0.146 18089
8226 1 19 . 1 1 53 53 ALA H H 53 7.540 7.540 7.645 -0.105 18089
8227 1 19 . 1 1 54 54 VAL N N 54 118.080 118.080 119.154 -1.074 18089
8228 1 19 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.521 -0.171 18089
8229 1 19 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.820 -0.240 18089
8230 1 19 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.450 0.270 18089
8231 1 19 . 1 1 54 54 VAL H H 54 7.310 7.310 8.296 -0.986 18089
8232 1 19 . 1 1 55 55 ASP N N 55 119.630 119.630 119.556 0.074 18089
8233 1 19 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.473 -0.193 18089
8234 1 19 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.269 0.112 18089
8235 1 19 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.728 0.182 18089
8236 1 19 . 1 1 55 55 ASP H H 55 8.530 8.530 8.818 -0.288 18089
8237 1 19 . 1 1 56 56 LYS N N 56 118.060 118.060 119.940 -1.880 18089
8238 1 19 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.056 -0.126 18089
8239 1 19 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.504 0.316 18089
8240 1 19 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.631 -0.131 18089
8241 1 19 . 1 1 56 56 LYS H H 56 7.950 7.950 7.419 0.531 18089
8242 1 19 . 1 1 57 57 VAL N N 57 119.310 119.310 121.054 -1.744 18089
8243 1 19 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.856 -0.136 18089
8244 1 19 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.986 1.074 18089
8245 1 19 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.203 -0.113 18089
8246 1 19 . 1 1 57 57 VAL H H 57 7.280 7.280 8.097 -0.817 18089
8247 1 19 . 1 1 58 58 MET N N 58 115.980 115.980 118.826 -2.846 18089
8248 1 19 . 1 1 58 58 MET HA H 58 4.090 4.090 4.030 0.060 18089
8249 1 19 . 1 1 58 58 MET CA C 58 57.370 57.370 58.982 -1.612 18089
8250 1 19 . 1 1 58 58 MET CB C 58 31.310 31.310 31.826 -0.516 18089
8251 1 19 . 1 1 58 58 MET H H 58 8.360 8.360 8.087 0.273 18089
8252 1 19 . 1 1 59 59 LYS N N 59 118.900 118.900 117.168 1.732 18089
8253 1 19 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.053 0.017 18089
8254 1 19 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.192 0.078 18089
8255 1 19 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.801 0.709 18089
8256 1 19 . 1 1 59 59 LYS H H 59 8.620 8.620 7.795 0.825 18089
8257 1 19 . 1 1 60 60 GLU N N 60 119.830 119.830 121.384 -1.554 18089
8258 1 19 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.351 -0.281 18089
8259 1 19 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.654 0.616 18089
8260 1 19 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.241 -1.581 18089
8261 1 19 . 1 1 60 60 GLU H H 60 7.430 7.430 7.549 -0.119 18089
8262 1 19 . 1 1 61 61 LEU N N 61 116.920 116.920 121.528 -4.608 18089
8263 1 19 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.124 -0.174 18089
8264 1 19 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.714 -0.444 18089
8265 1 19 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.298 -0.748 18089
8266 1 19 . 1 1 61 61 LEU H H 61 7.580 7.580 8.672 -1.092 18089
8267 1 19 . 1 1 62 62 ASP N N 62 116.060 116.060 118.426 -2.366 18089
8268 1 19 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.396 0.064 18089
8269 1 19 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.931 -0.771 18089
8270 1 19 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.965 0.675 18089
8271 1 19 . 1 1 62 62 ASP H H 62 7.610 7.610 8.101 -0.491 18089
8272 1 19 . 1 1 63 63 GLU N N 63 118.870 118.870 115.315 3.555 18089
8273 1 19 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.314 -0.214 18089
8274 1 19 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.974 0.066 18089
8275 1 19 . 1 1 63 63 GLU CB C 63 30.050 30.050 30.023 0.027 18089
8276 1 19 . 1 1 63 63 GLU H H 63 8.120 8.120 7.661 0.459 18089
8277 1 19 . 1 1 64 64 ASN N N 64 117.720 117.720 119.087 -1.367 18089
8278 1 19 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.818 0.342 18089
8279 1 19 . 1 1 64 64 ASN CA C 64 51.930 51.930 54.015 -2.085 18089
8280 1 19 . 1 1 64 64 ASN CB C 64 38.650 38.650 38.934 -0.284 18089
8281 1 19 . 1 1 64 64 ASN H H 64 7.720 7.720 8.306 -0.586 18089
8282 1 19 . 1 1 65 65 GLY N N 65 107.110 107.110 109.501 -2.391 18089
8283 1 19 . 1 1 65 65 GLY CA C 65 47.910 47.910 46.891 1.019 18089
8284 1 19 . 1 1 65 65 GLY H H 65 7.750 7.750 8.696 -0.946 18089
8285 1 19 . 1 1 66 66 ASP N N 66 115.600 115.600 120.357 -4.757 18089
8286 1 19 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.766 0.074 18089
8287 1 19 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.131 -0.081 18089
8288 1 19 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.867 -0.267 18089
8289 1 19 . 1 1 66 66 ASP H H 66 8.320 8.320 7.607 0.713 18089
8290 1 19 . 1 1 67 67 GLY N N 67 109.220 109.220 108.784 0.436 18089
8291 1 19 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.624 0.186 18089
8292 1 19 . 1 1 67 67 GLY H H 67 8.260 8.260 8.081 0.179 18089
8293 1 19 . 1 1 68 68 GLU N N 68 117.450 117.450 118.986 -1.536 18089
8294 1 19 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.035 0.215 18089
8295 1 19 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.273 -0.303 18089
8296 1 19 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.917 1.003 18089
8297 1 19 . 1 1 68 68 GLU H H 68 8.500 8.500 8.395 0.105 18089
8298 1 19 . 1 1 69 69 VAL N N 69 115.390 115.390 115.221 0.169 18089
8299 1 19 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.728 0.242 18089
8300 1 19 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.993 -0.863 18089
8301 1 19 . 1 1 69 69 VAL CB C 69 35.090 35.090 34.764 0.326 18089
8302 1 19 . 1 1 69 69 VAL H H 69 9.190 9.190 9.213 -0.023 18089
8303 1 19 . 1 1 70 70 ASP N N 70 120.970 120.970 117.437 3.533 18089
8304 1 19 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.370 0.200 18089
8305 1 19 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.616 -1.576 18089
8306 1 19 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.218 -0.478 18089
8307 1 19 . 1 1 70 70 ASP H H 70 8.300 8.300 8.227 0.073 18089
8308 1 19 . 1 1 71 71 PHE N N 71 119.360 119.360 119.731 -0.371 18089
8309 1 19 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.061 0.419 18089
8310 1 19 . 1 1 71 71 PHE CA C 71 61.500 61.500 62.197 -0.697 18089
8311 1 19 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.783 0.817 18089
8312 1 19 . 1 1 71 71 PHE H H 71 9.520 9.520 9.022 0.498 18089
8313 1 19 . 1 1 72 72 GLN N N 72 116.880 116.880 118.659 -1.779 18089
8314 1 19 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.738 -0.318 18089
8315 1 19 . 1 1 72 72 GLN CA C 72 60.780 60.780 58.977 1.803 18089
8316 1 19 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.425 0.555 18089
8317 1 19 . 1 1 72 72 GLN H H 72 8.180 8.180 8.343 -0.163 18089
8318 1 19 . 1 1 73 73 GLU N N 73 119.720 119.720 119.183 0.537 18089
8319 1 19 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.004 -0.014 18089
8320 1 19 . 1 1 73 73 GLU CA C 73 59.190 59.190 59.176 0.014 18089
8321 1 19 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.362 1.108 18089
8322 1 19 . 1 1 73 73 GLU H H 73 8.250 8.250 8.334 -0.084 18089
8323 1 19 . 1 1 74 74 TYR N N 74 122.440 122.440 121.328 1.112 18089
8324 1 19 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.168 0.172 18089
8325 1 19 . 1 1 74 74 TYR CA C 74 60.270 60.270 60.974 -0.704 18089
8326 1 19 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.118 -1.298 18089
8327 1 19 . 1 1 74 74 TYR H H 74 8.250 8.250 8.310 -0.060 18089
8328 1 19 . 1 1 75 75 VAL N N 75 120.220 120.220 117.703 2.517 18089
8329 1 19 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.233 -0.573 18089
8330 1 19 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.912 1.068 18089
8331 1 19 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.319 -0.839 18089
8332 1 19 . 1 1 75 75 VAL H H 75 8.010 8.010 7.743 0.267 18089
8333 1 19 . 1 1 76 76 VAL N N 76 119.350 119.350 120.285 -0.935 18089
8334 1 19 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.660 -0.310 18089
8335 1 19 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.714 0.896 18089
8336 1 19 . 1 1 76 76 VAL CB C 76 31.710 31.710 32.088 -0.378 18089
8337 1 19 . 1 1 76 76 VAL H H 76 7.540 7.540 7.551 -0.011 18089
8338 1 19 . 1 1 77 77 LEU N N 77 121.420 121.420 120.765 0.655 18089
8339 1 19 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.805 0.375 18089
8340 1 19 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.558 -0.298 18089
8341 1 19 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.531 0.420 18089
8342 1 19 . 1 1 77 77 LEU H H 77 7.760 7.760 8.308 -0.548 18089
8343 1 19 . 1 1 78 78 VAL N N 78 119.530 119.530 114.878 4.652 18089
8344 1 19 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.679 -0.239 18089
8345 1 19 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.847 1.383 18089
8346 1 19 . 1 1 78 78 VAL CB C 78 31.410 31.410 31.024 0.386 18089
8347 1 19 . 1 1 78 78 VAL H H 78 8.370 8.370 7.123 1.247 18089
8348 1 19 . 1 1 79 79 ALA N N 79 125.030 125.030 122.548 2.482 18089
8349 1 19 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.031 -0.001 18089
8350 1 19 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.400 1.671 18089
8351 1 19 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.069 -0.049 18089
8352 1 19 . 1 1 79 79 ALA H H 79 9.070 9.070 7.005 2.065 18089
8353 1 19 . 1 1 80 80 ALA N N 80 122.060 122.060 121.595 0.465 18089
8354 1 19 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.857 0.133 18089
8355 1 19 . 1 1 80 80 ALA CA C 80 55.380 55.380 55.015 0.365 18089
8356 1 19 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.149 -0.589 18089
8357 1 19 . 1 1 80 80 ALA H H 80 8.350 8.350 8.518 -0.168 18089
8358 1 19 . 1 1 81 81 LEU N N 81 117.650 117.650 115.423 2.227 18089
8359 1 19 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.822 0.228 18089
8360 1 19 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.268 0.422 18089
8361 1 19 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.371 0.459 18089
8362 1 19 . 1 1 81 81 LEU H H 81 8.060 8.060 7.439 0.621 18089
8363 1 19 . 1 1 82 82 THR N N 82 117.560 117.560 115.585 1.975 18089
8364 1 19 . 1 1 82 82 THR HA H 82 3.680 3.680 2.370 1.310 18089
8365 1 19 . 1 1 82 82 THR CA C 82 68.820 68.820 66.056 2.764 18089
8366 1 19 . 1 1 82 82 THR CB C 82 67.570 67.570 68.364 -0.794 18089
8367 1 19 . 1 1 82 82 THR H H 82 8.320 8.320 6.991 1.329 18089
8368 1 19 . 1 1 83 83 VAL N N 83 121.390 121.390 117.890 3.500 18089
8369 1 19 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.684 -0.594 18089
8370 1 19 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.048 0.072 18089
8371 1 19 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.359 0.521 18089
8372 1 19 . 1 1 83 83 VAL H H 83 8.000 8.000 7.643 0.357 18089
8373 1 19 . 1 1 84 84 ALA N N 84 116.970 116.970 122.240 -5.270 18089
8374 1 19 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.019 0.561 18089
8375 1 19 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.102 -1.462 18089
8376 1 19 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.128 2.692 18089
8377 1 19 . 1 1 84 84 ALA H H 84 7.100 7.100 7.166 -0.066 18089
8378 1 19 . 1 1 85 85 CYS N N 85 112.170 112.170 114.700 -2.530 18089
8379 1 19 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.518 0.022 18089
8380 1 19 . 1 1 85 85 CYS CA C 85 60.330 60.330 60.509 -0.179 18089
8381 1 19 . 1 1 85 85 CYS CB C 85 32.390 32.390 28.981 3.409 18089
8382 1 19 . 1 1 85 85 CYS H H 85 7.360 7.360 7.478 -0.118 18089
8383 1 19 . 1 1 86 86 ASN N N 86 118.980 118.980 118.626 0.354 18089
8384 1 19 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.538 -0.058 18089
8385 1 19 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.817 -1.067 18089
8386 1 19 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.308 3.802 18089
8387 1 19 . 1 1 86 86 ASN H H 86 8.440 8.440 8.618 -0.178 18089
8388 1 19 . 1 1 87 87 ASN N N 87 124.820 124.820 119.298 5.522 18089
8389 1 19 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.288 0.062 18089
8390 1 19 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.387 1.103 18089
8391 1 19 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.821 0.509 18089
8392 1 19 . 1 1 87 87 ASN H H 87 9.210 9.210 7.518 1.692 18089
8393 1 19 . 1 1 88 88 PHE N N 88 120.560 120.560 119.929 0.631 18089
8394 1 19 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.141 0.969 18089
8395 1 19 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.295 0.185 18089
8396 1 19 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.726 0.734 18089
8397 1 19 . 1 1 88 88 PHE H H 88 8.690 8.690 7.448 1.242 18089
8398 1 19 . 1 1 89 89 PHE N N 89 112.650 112.650 116.634 -3.984 18089
8399 1 19 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.392 -0.632 18089
8400 1 19 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.529 0.471 18089
8401 1 19 . 1 1 89 89 PHE CB C 89 39.020 39.020 37.859 1.161 18089
8402 1 19 . 1 1 89 89 PHE H H 89 7.440 7.440 7.702 -0.262 18089
8403 1 19 . 1 1 90 90 TRP N N 90 118.650 118.650 117.477 1.173 18089
8404 1 19 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.530 0.060 18089
8405 1 19 . 1 1 90 90 TRP CA C 90 56.300 56.300 54.811 1.489 18089
8406 1 19 . 1 1 90 90 TRP CB C 90 31.450 31.450 27.161 4.289 18089
8407 1 19 . 1 1 90 90 TRP H H 90 7.360 7.360 7.306 0.054 18089
8408 1 19 . 1 1 91 91 GLU N N 91 121.410 121.410 120.529 0.881 18089
8409 1 19 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.181 0.169 18089
8410 1 19 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.006 0.484 18089
8411 1 19 . 1 1 91 91 GLU CB C 91 30.470 30.470 29.887 0.583 18089
8412 1 19 . 1 1 91 91 GLU H H 91 7.820 7.820 7.869 -0.049 18089
8413 1 19 . 1 1 92 92 ASN N N 92 120.680 120.680 119.835 0.845 18089
8414 1 19 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.770 -0.040 18089
8415 1 19 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.184 -0.364 18089
8416 1 19 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.883 0.126 18089
8417 1 19 . 1 1 92 92 ASN H H 92 8.590 8.590 8.620 -0.030 18089
8418 1 20 . 1 1 2 2 SER N N 2 118.700 118.700 116.228 2.472 18089
8419 1 20 . 1 1 2 2 SER HA H 2 4.680 4.680 4.520 0.160 18089
8420 1 20 . 1 1 2 2 SER CA C 2 57.280 57.280 56.906 0.374 18089
8421 1 20 . 1 1 2 2 SER CB C 2 65.190 65.190 64.931 0.259 18089
8422 1 20 . 1 1 2 2 SER H H 2 9.250 9.250 7.869 1.381 18089
8423 1 20 . 1 1 3 3 GLU N N 3 122.910 122.910 122.225 0.685 18089
8424 1 20 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.076 0.034 18089
8425 1 20 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.083 1.397 18089
8426 1 20 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.804 -0.794 18089
8427 1 20 . 1 1 3 3 GLU H H 3 9.250 9.250 8.683 0.567 18089
8428 1 20 . 1 1 4 4 LEU N N 4 121.150 121.150 117.735 3.415 18089
8429 1 20 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.133 -0.083 18089
8430 1 20 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.559 0.132 18089
8431 1 20 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.060 1.090 18089
8432 1 20 . 1 1 4 4 LEU H H 4 8.940 8.940 7.917 1.023 18089
8433 1 20 . 1 1 5 5 GLU N N 5 118.630 118.630 119.260 -0.630 18089
8434 1 20 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.054 -0.814 18089
8435 1 20 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.443 0.267 18089
8436 1 20 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.052 -0.082 18089
8437 1 20 . 1 1 5 5 GLU H H 5 7.840 7.840 8.581 -0.741 18089
8438 1 20 . 1 1 6 6 THR N N 6 116.040 116.040 115.524 0.516 18089
8439 1 20 . 1 1 6 6 THR HA H 6 4.000 4.000 4.050 -0.050 18089
8440 1 20 . 1 1 6 6 THR CA C 6 66.620 66.620 65.041 1.579 18089
8441 1 20 . 1 1 6 6 THR CB C 6 68.650 68.650 68.615 0.035 18089
8442 1 20 . 1 1 6 6 THR H H 6 8.430 8.430 8.000 0.430 18089
8443 1 20 . 1 1 7 7 ALA N N 7 125.730 125.730 125.156 0.574 18089
8444 1 20 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.117 0.153 18089
8445 1 20 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.937 0.653 18089
8446 1 20 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.628 -0.478 18089
8447 1 20 . 1 1 7 7 ALA H H 7 8.290 8.290 7.240 1.050 18089
8448 1 20 . 1 1 8 8 MET N N 8 115.120 115.120 116.037 -0.917 18089
8449 1 20 . 1 1 8 8 MET HA H 8 4.870 4.870 4.181 0.689 18089
8450 1 20 . 1 1 8 8 MET CA C 8 56.540 56.540 58.822 -2.282 18089
8451 1 20 . 1 1 8 8 MET CB C 8 28.950 28.950 32.023 -3.073 18089
8452 1 20 . 1 1 8 8 MET H H 8 8.100 8.100 7.632 0.468 18089
8453 1 20 . 1 1 9 9 GLU N N 9 120.560 120.560 118.914 1.646 18089
8454 1 20 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.040 0.070 18089
8455 1 20 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.424 1.056 18089
8456 1 20 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.899 -0.059 18089
8457 1 20 . 1 1 9 9 GLU H H 9 8.710 8.710 7.968 0.742 18089
8458 1 20 . 1 1 10 10 THR N N 10 118.800 118.800 113.217 5.583 18089
8459 1 20 . 1 1 10 10 THR HA H 10 4.120 4.120 4.147 -0.027 18089
8460 1 20 . 1 1 10 10 THR CA C 10 67.230 67.230 65.175 2.055 18089
8461 1 20 . 1 1 10 10 THR CB C 10 67.570 67.570 68.772 -1.202 18089
8462 1 20 . 1 1 10 10 THR H H 10 8.470 8.470 7.803 0.667 18089
8463 1 20 . 1 1 11 11 LEU N N 11 121.860 121.860 120.935 0.925 18089
8464 1 20 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.276 -0.166 18089
8465 1 20 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.866 2.614 18089
8466 1 20 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.720 1.220 18089
8467 1 20 . 1 1 11 11 LEU H H 11 8.340 8.340 7.819 0.521 18089
8468 1 20 . 1 1 12 12 ILE N N 12 121.270 121.270 117.667 3.603 18089
8469 1 20 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.159 -0.609 18089
8470 1 20 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.922 1.238 18089
8471 1 20 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.951 0.449 18089
8472 1 20 . 1 1 12 12 ILE H H 12 8.480 8.480 7.958 0.522 18089
8473 1 20 . 1 1 13 13 ASN N N 13 120.510 120.510 120.260 0.250 18089
8474 1 20 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.464 -0.114 18089
8475 1 20 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.307 0.183 18089
8476 1 20 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.738 0.202 18089
8477 1 20 . 1 1 13 13 ASN H H 13 8.690 8.690 8.563 0.127 18089
8478 1 20 . 1 1 14 14 VAL N N 14 121.990 121.990 118.179 3.811 18089
8479 1 20 . 1 1 14 14 VAL HA H 14 3.870 3.870 4.009 -0.139 18089
8480 1 20 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.850 1.700 18089
8481 1 20 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.685 -0.975 18089
8482 1 20 . 1 1 14 14 VAL H H 14 8.880 8.880 7.484 1.396 18089
8483 1 20 . 1 1 15 15 PHE N N 15 120.470 120.470 120.304 0.166 18089
8484 1 20 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.761 -0.191 18089
8485 1 20 . 1 1 15 15 PHE CA C 15 62.480 62.480 60.958 1.522 18089
8486 1 20 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.215 0.285 18089
8487 1 20 . 1 1 15 15 PHE H H 15 7.480 7.480 7.855 -0.375 18089
8488 1 20 . 1 1 16 16 HIS N N 16 118.280 118.280 118.032 0.248 18089
8489 1 20 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.334 0.916 18089
8490 1 20 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.623 -2.653 18089
8491 1 20 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.375 -0.245 18089
8492 1 20 . 1 1 16 16 HIS H H 16 9.270 9.270 8.609 0.661 18089
8493 1 20 . 1 1 17 17 ALA N N 17 121.080 121.080 120.770 0.310 18089
8494 1 20 . 1 1 17 17 ALA HA H 17 3.840 3.840 4.068 -0.228 18089
8495 1 20 . 1 1 17 17 ALA CA C 17 54.440 54.440 53.936 0.504 18089
8496 1 20 . 1 1 17 17 ALA CB C 17 17.600 17.600 19.570 -1.970 18089
8497 1 20 . 1 1 17 17 ALA H H 17 8.160 8.160 7.480 0.680 18089
8498 1 20 . 1 1 18 18 HIS N N 18 112.570 112.570 114.332 -1.762 18089
8499 1 20 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.532 -0.182 18089
8500 1 20 . 1 1 18 18 HIS CA C 18 56.490 56.490 57.112 -0.622 18089
8501 1 20 . 1 1 18 18 HIS CB C 18 30.990 30.990 31.187 -0.197 18089
8502 1 20 . 1 1 18 18 HIS H H 18 7.410 7.410 7.563 -0.153 18089
8503 1 20 . 1 1 19 19 SER HA H 19 4.110 4.110 3.739 0.371 18089
8504 1 20 . 1 1 19 19 SER CA C 19 60.480 60.480 60.728 -0.248 18089
8505 1 20 . 1 1 19 19 SER CB C 19 61.800 61.800 63.297 -1.497 18089
8506 1 20 . 1 1 20 20 GLY N N 20 106.720 106.720 110.878 -4.158 18089
8507 1 20 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.444 -0.203 18089
8508 1 20 . 1 1 20 20 GLY H H 20 8.260 8.260 8.139 0.121 18089
8509 1 20 . 1 1 21 21 LYS N N 21 120.240 120.240 121.250 -1.010 18089
8510 1 20 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.022 -0.032 18089
8511 1 20 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.201 0.259 18089
8512 1 20 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.041 0.459 18089
8513 1 20 . 1 1 21 21 LYS H H 21 7.640 7.640 7.428 0.212 18089
8514 1 20 . 1 1 22 22 GLU N N 22 117.060 117.060 118.366 -1.306 18089
8515 1 20 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.139 0.291 18089
8516 1 20 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.713 -2.333 18089
8517 1 20 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.830 1.210 18089
8518 1 20 . 1 1 22 22 GLU H H 22 7.840 7.840 8.338 -0.498 18089
8519 1 20 . 1 1 23 23 GLY N N 23 107.770 107.770 105.023 2.747 18089
8520 1 20 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.768 1.062 18089
8521 1 20 . 1 1 23 23 GLY H H 23 8.100 8.100 8.350 -0.250 18089
8522 1 20 . 1 1 24 24 ASP N N 24 122.990 122.990 121.004 1.986 18089
8523 1 20 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.882 -0.302 18089
8524 1 20 . 1 1 24 24 ASP CA C 24 53.610 53.610 53.194 0.416 18089
8525 1 20 . 1 1 24 24 ASP CB C 24 42.360 42.360 43.011 -0.651 18089
8526 1 20 . 1 1 24 24 ASP H H 24 8.190 8.190 8.077 0.113 18089
8527 1 20 . 1 1 25 25 LYS N N 25 124.920 124.920 120.186 4.734 18089
8528 1 20 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.037 0.053 18089
8529 1 20 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.436 -0.066 18089
8530 1 20 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.672 -0.663 18089
8531 1 20 . 1 1 25 25 LYS H H 25 8.440 8.440 8.529 -0.089 18089
8532 1 20 . 1 1 26 26 TYR N N 26 117.220 117.220 114.980 2.240 18089
8533 1 20 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.810 0.310 18089
8534 1 20 . 1 1 26 26 TYR CA C 26 57.380 57.380 56.714 0.666 18089
8535 1 20 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.062 -0.362 18089
8536 1 20 . 1 1 26 26 TYR H H 26 8.490 8.490 7.901 0.589 18089
8537 1 20 . 1 1 27 27 LYS N N 27 118.300 118.300 118.606 -0.306 18089
8538 1 20 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.525 -0.035 18089
8539 1 20 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.423 -0.603 18089
8540 1 20 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.004 0.456 18089
8541 1 20 . 1 1 27 27 LYS H H 27 7.870 7.870 7.450 0.420 18089
8542 1 20 . 1 1 28 28 LEU N N 28 121.380 121.380 121.615 -0.235 18089
8543 1 20 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.675 0.055 18089
8544 1 20 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.232 -1.412 18089
8545 1 20 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.934 0.436 18089
8546 1 20 . 1 1 28 28 LEU H H 28 8.830 8.830 9.137 -0.307 18089
8547 1 20 . 1 1 29 29 SER N N 29 120.620 120.620 116.201 4.419 18089
8548 1 20 . 1 1 29 29 SER HA H 29 5.030 5.030 4.960 0.070 18089
8549 1 20 . 1 1 29 29 SER CA C 29 57.890 57.890 57.689 0.201 18089
8550 1 20 . 1 1 29 29 SER CB C 29 64.270 64.270 64.511 -0.241 18089
8551 1 20 . 1 1 29 29 SER H H 29 8.940 8.940 8.503 0.437 18089
8552 1 20 . 1 1 30 30 LYS N N 30 124.430 124.430 122.714 1.716 18089
8553 1 20 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.118 -0.248 18089
8554 1 20 . 1 1 30 30 LYS CA C 30 61.630 61.630 59.966 1.664 18089
8555 1 20 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.766 -1.056 18089
8556 1 20 . 1 1 30 30 LYS H H 30 8.820 8.820 8.145 0.675 18089
8557 1 20 . 1 1 31 31 LYS N N 31 120.230 120.230 119.126 1.104 18089
8558 1 20 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.928 0.242 18089
8559 1 20 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.318 0.022 18089
8560 1 20 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.915 0.586 18089
8561 1 20 . 1 1 31 31 LYS H H 31 8.730 8.730 7.496 1.234 18089
8562 1 20 . 1 1 32 32 GLU N N 32 121.570 121.570 119.877 1.693 18089
8563 1 20 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.035 0.065 18089
8564 1 20 . 1 1 32 32 GLU CA C 32 58.040 58.040 59.325 -1.285 18089
8565 1 20 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.071 -0.401 18089
8566 1 20 . 1 1 32 32 GLU H H 32 7.780 7.780 7.861 -0.081 18089
8567 1 20 . 1 1 33 33 LEU N N 33 121.620 121.620 119.123 2.497 18089
8568 1 20 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.915 0.085 18089
8569 1 20 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.489 -0.199 18089
8570 1 20 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.787 -1.287 18089
8571 1 20 . 1 1 33 33 LEU H H 33 8.910 8.910 7.467 1.443 18089
8572 1 20 . 1 1 34 34 LYS N N 34 120.460 120.460 119.377 1.083 18089
8573 1 20 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.987 -0.367 18089
8574 1 20 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.523 1.417 18089
8575 1 20 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.204 -0.794 18089
8576 1 20 . 1 1 34 34 LYS H H 34 8.440 8.440 8.119 0.321 18089
8577 1 20 . 1 1 35 35 GLU N N 35 117.190 117.190 119.543 -2.353 18089
8578 1 20 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.445 -0.375 18089
8579 1 20 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.897 0.373 18089
8580 1 20 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.928 -0.898 18089
8581 1 20 . 1 1 35 35 GLU H H 35 7.200 7.200 7.972 -0.772 18089
8582 1 20 . 1 1 36 36 LEU N N 36 122.760 122.760 118.483 4.277 18089
8583 1 20 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.260 -0.500 18089
8584 1 20 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.794 1.206 18089
8585 1 20 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.312 0.968 18089
8586 1 20 . 1 1 36 36 LEU H H 36 8.310 8.310 7.777 0.533 18089
8587 1 20 . 1 1 37 37 LEU N N 37 120.220 120.220 118.898 1.322 18089
8588 1 20 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.330 -0.650 18089
8589 1 20 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.442 0.878 18089
8590 1 20 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.552 -1.032 18089
8591 1 20 . 1 1 37 37 LEU H H 37 8.820 8.820 8.344 0.476 18089
8592 1 20 . 1 1 38 38 GLN N N 38 113.470 113.470 116.706 -3.236 18089
8593 1 20 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.195 -0.435 18089
8594 1 20 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.125 0.875 18089
8595 1 20 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.439 0.420 18089
8596 1 20 . 1 1 38 38 GLN H H 38 8.110 8.110 7.922 0.188 18089
8597 1 20 . 1 1 39 39 THR N N 39 109.960 109.960 113.126 -3.166 18089
8598 1 20 . 1 1 39 39 THR HA H 39 4.290 4.290 4.382 -0.092 18089
8599 1 20 . 1 1 39 39 THR CA C 39 64.560 64.560 63.758 0.802 18089
8600 1 20 . 1 1 39 39 THR CB C 39 69.750 69.750 69.304 0.446 18089
8601 1 20 . 1 1 39 39 THR H H 39 7.720 7.720 7.584 0.136 18089
8602 1 20 . 1 1 40 40 GLU N N 40 118.420 118.420 119.101 -0.681 18089
8603 1 20 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.399 0.321 18089
8604 1 20 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.659 0.131 18089
8605 1 20 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.975 -1.775 18089
8606 1 20 . 1 1 40 40 GLU H H 40 9.020 9.020 7.895 1.125 18089
8607 1 20 . 1 1 41 41 LEU N N 41 119.120 119.120 121.146 -2.026 18089
8608 1 20 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.612 0.518 18089
8609 1 20 . 1 1 41 41 LEU CA C 41 53.160 53.160 53.405 -0.245 18089
8610 1 20 . 1 1 41 41 LEU CB C 41 42.040 42.040 42.607 -0.567 18089
8611 1 20 . 1 1 41 41 LEU H H 41 7.760 7.760 7.671 0.089 18089
8612 1 20 . 1 1 42 42 SER N N 42 112.960 112.960 116.564 -3.604 18089
8613 1 20 . 1 1 42 42 SER HA H 42 3.870 3.870 4.433 -0.562 18089
8614 1 20 . 1 1 42 42 SER CA C 42 61.630 61.630 57.524 4.106 18089
8615 1 20 . 1 1 42 42 SER CB C 42 62.790 62.790 61.064 1.726 18089
8616 1 20 . 1 1 42 42 SER H H 42 6.940 6.940 8.053 -1.113 18089
8617 1 20 . 1 1 43 43 GLY N N 43 114.580 114.580 111.941 2.639 18089
8618 1 20 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.453 1.327 18089
8619 1 20 . 1 1 43 43 GLY H H 43 9.250 9.250 8.583 0.667 18089
8620 1 20 . 1 1 44 44 PHE N N 44 124.560 124.560 118.809 5.751 18089
8621 1 20 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.245 0.345 18089
8622 1 20 . 1 1 44 44 PHE CA C 44 57.480 57.480 60.069 -2.589 18089
8623 1 20 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.427 -2.477 18089
8624 1 20 . 1 1 44 44 PHE H H 44 8.320 8.320 7.415 0.905 18089
8625 1 20 . 1 1 45 45 LEU N N 45 116.140 116.140 119.564 -3.424 18089
8626 1 20 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.016 0.154 18089
8627 1 20 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.858 -0.488 18089
8628 1 20 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.729 0.521 18089
8629 1 20 . 1 1 45 45 LEU H H 45 8.650 8.650 7.829 0.821 18089
8630 1 20 . 1 1 46 46 ASP N N 46 119.960 119.960 117.283 2.677 18089
8631 1 20 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.542 0.168 18089
8632 1 20 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.043 0.597 18089
8633 1 20 . 1 1 46 46 ASP CB C 46 41.520 41.520 40.980 0.540 18089
8634 1 20 . 1 1 46 46 ASP H H 46 7.730 7.730 7.925 -0.195 18089
8635 1 20 . 1 1 47 47 ALA N N 47 124.260 124.260 120.315 3.945 18089
8636 1 20 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.592 0.028 18089
8637 1 20 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.264 -1.754 18089
8638 1 20 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.496 -1.646 18089
8639 1 20 . 1 1 47 47 ALA H H 47 7.740 7.740 7.559 0.181 18089
8640 1 20 . 1 1 48 48 GLN N N 48 117.380 117.380 118.014 -0.634 18089
8641 1 20 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.015 0.075 18089
8642 1 20 . 1 1 48 48 GLN CA C 48 57.370 57.370 56.440 0.930 18089
8643 1 20 . 1 1 48 48 GLN CB C 48 30.470 30.470 27.668 2.802 18089
8644 1 20 . 1 1 48 48 GLN H H 48 7.650 7.650 8.362 -0.712 18089
8645 1 20 . 1 1 49 49 LYS N N 49 121.400 121.400 120.680 0.720 18089
8646 1 20 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.323 -0.193 18089
8647 1 20 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.285 -0.044 18089
8648 1 20 . 1 1 49 49 LYS CB C 49 30.920 30.920 32.988 -2.068 18089
8649 1 20 . 1 1 49 49 LYS H H 49 8.000 8.000 8.196 -0.196 18089
8650 1 20 . 1 1 50 50 ASP N N 50 119.180 119.180 122.926 -3.746 18089
8651 1 20 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.756 -0.096 18089
8652 1 20 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.284 -1.684 18089
8653 1 20 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.100 0.760 18089
8654 1 20 . 1 1 50 50 ASP H H 50 7.500 7.500 7.791 -0.291 18089
8655 1 20 . 1 1 51 51 VAL N N 51 122.100 122.100 123.857 -1.757 18089
8656 1 20 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.507 0.353 18089
8657 1 20 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.094 -1.344 18089
8658 1 20 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.818 0.152 18089
8659 1 20 . 1 1 51 51 VAL H H 51 7.670 7.670 8.440 -0.770 18089
8660 1 20 . 1 1 52 52 ASP N N 52 119.490 119.490 119.819 -0.329 18089
8661 1 20 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.329 0.021 18089
8662 1 20 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.851 -0.691 18089
8663 1 20 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.490 0.109 18089
8664 1 20 . 1 1 52 52 ASP H H 52 8.130 8.130 8.284 -0.154 18089
8665 1 20 . 1 1 53 53 ALA N N 53 122.220 122.220 122.457 -0.237 18089
8666 1 20 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.266 -0.246 18089
8667 1 20 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.929 -0.369 18089
8668 1 20 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.836 -0.096 18089
8669 1 20 . 1 1 53 53 ALA H H 53 7.540 7.540 7.769 -0.229 18089
8670 1 20 . 1 1 54 54 VAL N N 54 118.080 118.080 119.180 -1.100 18089
8671 1 20 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.542 -0.192 18089
8672 1 20 . 1 1 54 54 VAL CA C 54 66.580 66.580 67.242 -0.662 18089
8673 1 20 . 1 1 54 54 VAL CB C 54 31.720 31.720 30.906 0.814 18089
8674 1 20 . 1 1 54 54 VAL H H 54 7.310 7.310 8.428 -1.119 18089
8675 1 20 . 1 1 55 55 ASP N N 55 119.630 119.630 119.503 0.127 18089
8676 1 20 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.407 -0.127 18089
8677 1 20 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.833 -0.452 18089
8678 1 20 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.876 0.034 18089
8679 1 20 . 1 1 55 55 ASP H H 55 8.530 8.530 8.815 -0.285 18089
8680 1 20 . 1 1 56 56 LYS N N 56 118.060 118.060 120.168 -2.108 18089
8681 1 20 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.121 -0.191 18089
8682 1 20 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.207 0.613 18089
8683 1 20 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.766 -0.266 18089
8684 1 20 . 1 1 56 56 LYS H H 56 7.950 7.950 7.386 0.564 18089
8685 1 20 . 1 1 57 57 VAL N N 57 119.310 119.310 120.799 -1.489 18089
8686 1 20 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.853 -0.134 18089
8687 1 20 . 1 1 57 57 VAL CA C 57 66.060 66.060 65.001 1.058 18089
8688 1 20 . 1 1 57 57 VAL CB C 57 32.090 32.090 32.081 0.009 18089
8689 1 20 . 1 1 57 57 VAL H H 57 7.280 7.280 8.356 -1.076 18089
8690 1 20 . 1 1 58 58 MET N N 58 115.980 115.980 119.421 -3.441 18089
8691 1 20 . 1 1 58 58 MET HA H 58 4.090 4.090 4.126 -0.036 18089
8692 1 20 . 1 1 58 58 MET CA C 58 57.370 57.370 58.695 -1.325 18089
8693 1 20 . 1 1 58 58 MET CB C 58 31.310 31.310 31.890 -0.580 18089
8694 1 20 . 1 1 58 58 MET H H 58 8.360 8.360 8.431 -0.071 18089
8695 1 20 . 1 1 59 59 LYS N N 59 118.900 118.900 117.814 1.086 18089
8696 1 20 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.080 -0.010 18089
8697 1 20 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.014 0.256 18089
8698 1 20 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.683 0.827 18089
8699 1 20 . 1 1 59 59 LYS H H 59 8.620 8.620 7.827 0.793 18089
8700 1 20 . 1 1 60 60 GLU N N 60 119.830 119.830 120.391 -0.561 18089
8701 1 20 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.383 -0.313 18089
8702 1 20 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.436 0.834 18089
8703 1 20 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.044 -1.384 18089
8704 1 20 . 1 1 60 60 GLU H H 60 7.430 7.430 7.430 -0.000 18089
8705 1 20 . 1 1 61 61 LEU N N 61 116.920 116.920 119.668 -2.748 18089
8706 1 20 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.178 -0.228 18089
8707 1 20 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.388 -0.118 18089
8708 1 20 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.694 -1.144 18089
8709 1 20 . 1 1 61 61 LEU H H 61 7.580 7.580 8.218 -0.638 18089
8710 1 20 . 1 1 62 62 ASP N N 62 116.060 116.060 119.352 -3.292 18089
8711 1 20 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.377 0.083 18089
8712 1 20 . 1 1 62 62 ASP CA C 62 56.160 56.160 57.002 -0.842 18089
8713 1 20 . 1 1 62 62 ASP CB C 62 41.640 41.640 41.127 0.513 18089
8714 1 20 . 1 1 62 62 ASP H H 62 7.610 7.610 8.003 -0.393 18089
8715 1 20 . 1 1 63 63 GLU N N 63 118.870 118.870 115.243 3.627 18089
8716 1 20 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.355 -0.255 18089
8717 1 20 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.102 0.938 18089
8718 1 20 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.883 0.167 18089
8719 1 20 . 1 1 63 63 GLU H H 63 8.120 8.120 7.755 0.365 18089
8720 1 20 . 1 1 64 64 ASN N N 64 117.720 117.720 117.403 0.317 18089
8721 1 20 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.879 0.281 18089
8722 1 20 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.115 -1.185 18089
8723 1 20 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.771 -1.121 18089
8724 1 20 . 1 1 64 64 ASN H H 64 7.720 7.720 8.106 -0.386 18089
8725 1 20 . 1 1 65 65 GLY N N 65 107.110 107.110 110.802 -3.692 18089
8726 1 20 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.398 0.513 18089
8727 1 20 . 1 1 65 65 GLY H H 65 7.750 7.750 8.320 -0.570 18089
8728 1 20 . 1 1 66 66 ASP N N 66 115.600 115.600 120.455 -4.855 18089
8729 1 20 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.581 0.259 18089
8730 1 20 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.705 -0.655 18089
8731 1 20 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.297 0.303 18089
8732 1 20 . 1 1 66 66 ASP H H 66 8.320 8.320 8.598 -0.278 18089
8733 1 20 . 1 1 67 67 GLY N N 67 109.220 109.220 108.607 0.613 18089
8734 1 20 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.659 0.151 18089
8735 1 20 . 1 1 67 67 GLY H H 67 8.260 8.260 7.649 0.611 18089
8736 1 20 . 1 1 68 68 GLU N N 68 117.450 117.450 120.849 -3.399 18089
8737 1 20 . 1 1 68 68 GLU HA H 68 5.250 5.250 4.873 0.377 18089
8738 1 20 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.676 -0.706 18089
8739 1 20 . 1 1 68 68 GLU CB C 68 33.920 33.920 31.919 2.001 18089
8740 1 20 . 1 1 68 68 GLU H H 68 8.500 8.500 8.420 0.080 18089
8741 1 20 . 1 1 69 69 VAL N N 69 115.390 115.390 118.398 -3.008 18089
8742 1 20 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.694 0.276 18089
8743 1 20 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.097 0.033 18089
8744 1 20 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.180 -0.090 18089
8745 1 20 . 1 1 69 69 VAL H H 69 9.190 9.190 9.164 0.026 18089
8746 1 20 . 1 1 70 70 ASP N N 70 120.970 120.970 117.448 3.522 18089
8747 1 20 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.127 0.443 18089
8748 1 20 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.988 -1.948 18089
8749 1 20 . 1 1 70 70 ASP CB C 70 42.740 42.740 44.119 -1.379 18089
8750 1 20 . 1 1 70 70 ASP H H 70 8.300 8.300 8.009 0.291 18089
8751 1 20 . 1 1 71 71 PHE N N 71 119.360 119.360 119.471 -0.111 18089
8752 1 20 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.076 0.404 18089
8753 1 20 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.564 -0.064 18089
8754 1 20 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.624 0.976 18089
8755 1 20 . 1 1 71 71 PHE H H 71 9.520 9.520 8.895 0.625 18089
8756 1 20 . 1 1 72 72 GLN N N 72 116.880 116.880 118.049 -1.169 18089
8757 1 20 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.867 -0.447 18089
8758 1 20 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.120 1.660 18089
8759 1 20 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.469 0.511 18089
8760 1 20 . 1 1 72 72 GLN H H 72 8.180 8.180 8.334 -0.154 18089
8761 1 20 . 1 1 73 73 GLU N N 73 119.720 119.720 119.393 0.327 18089
8762 1 20 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.027 -0.037 18089
8763 1 20 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.753 0.437 18089
8764 1 20 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.361 1.109 18089
8765 1 20 . 1 1 73 73 GLU H H 73 8.250 8.250 7.699 0.551 18089
8766 1 20 . 1 1 74 74 TYR N N 74 122.440 122.440 120.699 1.741 18089
8767 1 20 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.136 0.204 18089
8768 1 20 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.062 -0.792 18089
8769 1 20 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.160 -1.340 18089
8770 1 20 . 1 1 74 74 TYR H H 74 8.250 8.250 7.988 0.262 18089
8771 1 20 . 1 1 75 75 VAL N N 75 120.220 120.220 117.837 2.383 18089
8772 1 20 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.419 -0.759 18089
8773 1 20 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.261 1.719 18089
8774 1 20 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.024 -0.544 18089
8775 1 20 . 1 1 75 75 VAL H H 75 8.010 8.010 7.487 0.523 18089
8776 1 20 . 1 1 76 76 VAL N N 76 119.350 119.350 120.581 -1.231 18089
8777 1 20 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.703 -0.353 18089
8778 1 20 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.603 1.007 18089
8779 1 20 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.994 -0.284 18089
8780 1 20 . 1 1 76 76 VAL H H 76 7.540 7.540 8.080 -0.540 18089
8781 1 20 . 1 1 77 77 LEU N N 77 121.420 121.420 120.089 1.331 18089
8782 1 20 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.860 0.320 18089
8783 1 20 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.278 -0.018 18089
8784 1 20 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.014 0.936 18089
8785 1 20 . 1 1 77 77 LEU H H 77 7.760 7.760 8.259 -0.499 18089
8786 1 20 . 1 1 78 78 VAL N N 78 119.530 119.530 113.778 5.752 18089
8787 1 20 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.756 -0.316 18089
8788 1 20 . 1 1 78 78 VAL CA C 78 67.230 67.230 64.644 2.586 18089
8789 1 20 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.497 0.913 18089
8790 1 20 . 1 1 78 78 VAL H H 78 8.370 8.370 7.140 1.230 18089
8791 1 20 . 1 1 79 79 ALA N N 79 125.030 125.030 122.907 2.123 18089
8792 1 20 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.095 -0.065 18089
8793 1 20 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.047 2.023 18089
8794 1 20 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.429 -0.409 18089
8795 1 20 . 1 1 79 79 ALA H H 79 9.070 9.070 7.107 1.963 18089
8796 1 20 . 1 1 80 80 ALA N N 80 122.060 122.060 121.415 0.645 18089
8797 1 20 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.871 0.119 18089
8798 1 20 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.950 0.430 18089
8799 1 20 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.133 -0.573 18089
8800 1 20 . 1 1 80 80 ALA H H 80 8.350 8.350 8.581 -0.231 18089
8801 1 20 . 1 1 81 81 LEU N N 81 117.650 117.650 116.193 1.457 18089
8802 1 20 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.737 0.313 18089
8803 1 20 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.366 0.324 18089
8804 1 20 . 1 1 81 81 LEU CB C 81 41.830 41.830 40.967 0.863 18089
8805 1 20 . 1 1 81 81 LEU H H 81 8.060 8.060 7.271 0.789 18089
8806 1 20 . 1 1 82 82 THR N N 82 117.560 117.560 115.193 2.367 18089
8807 1 20 . 1 1 82 82 THR HA H 82 3.680 3.680 3.457 0.223 18089
8808 1 20 . 1 1 82 82 THR CA C 82 68.820 68.820 66.196 2.624 18089
8809 1 20 . 1 1 82 82 THR CB C 82 67.570 67.570 68.510 -0.939 18089
8810 1 20 . 1 1 82 82 THR H H 82 8.320 8.320 6.631 1.689 18089
8811 1 20 . 1 1 83 83 VAL N N 83 121.390 121.390 118.022 3.368 18089
8812 1 20 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.652 -0.562 18089
8813 1 20 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.850 -0.730 18089
8814 1 20 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.234 0.646 18089
8815 1 20 . 1 1 83 83 VAL H H 83 8.000 8.000 7.857 0.143 18089
8816 1 20 . 1 1 84 84 ALA N N 84 116.970 116.970 122.470 -5.500 18089
8817 1 20 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.044 0.536 18089
8818 1 20 . 1 1 84 84 ALA CA C 84 53.640 53.640 55.015 -1.375 18089
8819 1 20 . 1 1 84 84 ALA CB C 84 20.820 20.820 17.926 2.894 18089
8820 1 20 . 1 1 84 84 ALA H H 84 7.100 7.100 7.505 -0.405 18089
8821 1 20 . 1 1 85 85 CYS N N 85 112.170 112.170 114.831 -2.661 18089
8822 1 20 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.565 -0.025 18089
8823 1 20 . 1 1 85 85 CYS CA C 85 60.330 60.330 58.895 1.435 18089
8824 1 20 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.656 4.734 18089
8825 1 20 . 1 1 85 85 CYS H H 85 7.360 7.360 7.649 -0.289 18089
8826 1 20 . 1 1 86 86 ASN N N 86 118.980 118.980 120.467 -1.487 18089
8827 1 20 . 1 1 86 86 ASN HA H 86 4.480 4.480 5.103 -0.623 18089
8828 1 20 . 1 1 86 86 ASN CA C 86 54.750 54.750 54.738 0.012 18089
8829 1 20 . 1 1 86 86 ASN CB C 86 42.110 42.110 39.058 3.052 18089
8830 1 20 . 1 1 86 86 ASN H H 86 8.440 8.440 8.280 0.160 18089
8831 1 20 . 1 1 87 87 ASN N N 87 124.820 124.820 120.553 4.267 18089
8832 1 20 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.129 0.221 18089
8833 1 20 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.650 0.840 18089
8834 1 20 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.853 0.477 18089
8835 1 20 . 1 1 87 87 ASN H H 87 9.210 9.210 8.267 0.943 18089
8836 1 20 . 1 1 88 88 PHE N N 88 120.560 120.560 120.456 0.104 18089
8837 1 20 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.207 0.903 18089
8838 1 20 . 1 1 88 88 PHE CA C 88 60.480 60.480 59.693 0.787 18089
8839 1 20 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.541 0.919 18089
8840 1 20 . 1 1 88 88 PHE H H 88 8.690 8.690 7.539 1.151 18089
8841 1 20 . 1 1 89 89 PHE N N 89 112.650 112.650 116.392 -3.742 18089
8842 1 20 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.333 -0.573 18089
8843 1 20 . 1 1 89 89 PHE CA C 89 59.000 59.000 57.905 1.095 18089
8844 1 20 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.373 0.647 18089
8845 1 20 . 1 1 89 89 PHE H H 89 7.440 7.440 8.110 -0.670 18089
8846 1 20 . 1 1 90 90 TRP N N 90 118.650 118.650 119.201 -0.551 18089
8847 1 20 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.546 0.044 18089
8848 1 20 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.739 0.562 18089
8849 1 20 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.873 4.577 18089
8850 1 20 . 1 1 90 90 TRP H H 90 7.360 7.360 7.420 -0.060 18089
8851 1 20 . 1 1 91 91 GLU N N 91 121.410 121.410 120.008 1.402 18089
8852 1 20 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.268 0.082 18089
8853 1 20 . 1 1 91 91 GLU CA C 91 56.490 56.490 55.548 0.942 18089
8854 1 20 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.118 0.352 18089
8855 1 20 . 1 1 91 91 GLU H H 91 7.820 7.820 7.731 0.089 18089
8856 1 20 . 1 1 92 92 ASN N N 92 120.680 120.680 118.395 2.285 18089
8857 1 20 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.657 0.073 18089
8858 1 20 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.682 -0.862 18089
8859 1 20 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.738 0.272 18089
8860 1 20 . 1 1 92 92 ASN H H 92 8.590 8.590 8.453 0.137 18089
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 90 2.755 -0.358 2.747 18089
2 1 1 "Average Difference" HA 96 0.341 -0.021 0.342 18089
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18089
4 1 1 "Average Difference" CA 91 1.290 -0.227 1.277 18089
5 1 1 "Average Difference" CB 86 1.261 -0.074 1.267 18089
6 1 1 "Average Difference" HN 90 0.650 -0.229 0.612 18089
7 1 2 "Average Difference" N 90 2.645 -0.250 2.648 18089
8 1 2 "Average Difference" HA 96 0.324 -0.009 0.325 18089
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18089
10 1 2 "Average Difference" CA 91 1.292 -0.268 1.271 18089
11 1 2 "Average Difference" CB 86 1.206 -0.011 1.213 18089
12 1 2 "Average Difference" HN 90 0.675 -0.207 0.646 18089
13 1 3 "Average Difference" N 90 2.692 -0.353 2.683 18089
14 1 3 "Average Difference" HA 96 0.344 -0.011 0.346 18089
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18089
16 1 3 "Average Difference" CA 91 1.298 -0.293 1.272 18089
17 1 3 "Average Difference" CB 86 1.266 -0.086 1.271 18089
18 1 3 "Average Difference" HN 90 0.655 -0.264 0.603 18089
19 1 4 "Average Difference" N 90 2.719 -0.202 2.727 18089
20 1 4 "Average Difference" HA 96 0.340 0.004 0.342 18089
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18089
22 1 4 "Average Difference" CA 91 1.215 -0.149 1.212 18089
23 1 4 "Average Difference" CB 86 1.234 -0.081 1.238 18089
24 1 4 "Average Difference" HN 90 0.729 -0.194 0.706 18089
25 1 5 "Average Difference" N 90 2.748 -0.097 2.762 18089
26 1 5 "Average Difference" HA 96 0.323 0.003 0.324 18089
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18089
28 1 5 "Average Difference" CA 91 1.248 -0.263 1.226 18089
29 1 5 "Average Difference" CB 86 1.304 -0.143 1.303 18089
30 1 5 "Average Difference" HN 90 0.678 -0.186 0.656 18089
31 1 6 "Average Difference" N 90 2.789 -0.209 2.797 18089
32 1 6 "Average Difference" HA 96 0.328 0.012 0.330 18089
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18089
34 1 6 "Average Difference" CA 91 1.294 -0.191 1.287 18089
35 1 6 "Average Difference" CB 86 1.218 -0.030 1.225 18089
36 1 6 "Average Difference" HN 90 0.720 -0.182 0.700 18089
37 1 7 "Average Difference" N 90 2.597 -0.327 2.590 18089
38 1 7 "Average Difference" HA 96 0.367 -0.015 0.368 18089
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18089
40 1 7 "Average Difference" CA 91 1.257 -0.152 1.255 18089
41 1 7 "Average Difference" CB 86 1.216 -0.060 1.222 18089
42 1 7 "Average Difference" HN 90 0.677 -0.187 0.655 18089
43 1 8 "Average Difference" N 90 2.657 -0.191 2.665 18089
44 1 8 "Average Difference" HA 96 0.310 0.017 0.311 18089
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18089
46 1 8 "Average Difference" CA 91 1.250 -0.265 1.229 18089
47 1 8 "Average Difference" CB 86 1.237 -0.059 1.243 18089
48 1 8 "Average Difference" HN 90 0.649 -0.168 0.630 18089
49 1 9 "Average Difference" N 90 2.643 -0.290 2.642 18089
50 1 9 "Average Difference" HA 96 0.346 -0.014 0.347 18089
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18089
52 1 9 "Average Difference" CA 91 1.177 -0.233 1.160 18089
53 1 9 "Average Difference" CB 86 1.276 -0.080 1.281 18089
54 1 9 "Average Difference" HN 90 0.679 -0.189 0.656 18089
55 1 10 "Average Difference" N 90 2.746 -0.138 2.758 18089
56 1 10 "Average Difference" HA 96 0.335 -0.006 0.336 18089
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18089
58 1 10 "Average Difference" CA 91 1.223 -0.209 1.211 18089
59 1 10 "Average Difference" CB 86 1.201 -0.095 1.204 18089
60 1 10 "Average Difference" HN 90 0.655 -0.203 0.626 18089
61 1 11 "Average Difference" N 90 2.614 -0.285 2.613 18089
62 1 11 "Average Difference" HA 96 0.323 0.019 0.324 18089
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18089
64 1 11 "Average Difference" CA 91 1.319 -0.338 1.282 18089
65 1 11 "Average Difference" CB 86 1.350 -0.065 1.356 18089
66 1 11 "Average Difference" HN 90 0.691 -0.200 0.665 18089
67 1 12 "Average Difference" N 90 2.831 -0.340 2.826 18089
68 1 12 "Average Difference" HA 96 0.337 -0.007 0.339 18089
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18089
70 1 12 "Average Difference" CA 91 1.258 -0.191 1.250 18089
71 1 12 "Average Difference" CB 86 1.285 -0.039 1.292 18089
72 1 12 "Average Difference" HN 90 0.663 -0.162 0.647 18089
73 1 13 "Average Difference" N 90 2.689 -0.301 2.687 18089
74 1 13 "Average Difference" HA 96 0.335 -0.010 0.337 18089
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18089
76 1 13 "Average Difference" CA 91 1.211 -0.197 1.202 18089
77 1 13 "Average Difference" CB 86 1.231 -0.049 1.237 18089
78 1 13 "Average Difference" HN 90 0.632 -0.170 0.612 18089
79 1 14 "Average Difference" N 90 2.744 -0.181 2.753 18089
80 1 14 "Average Difference" HA 96 0.321 0.007 0.322 18089
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18089
82 1 14 "Average Difference" CA 91 1.297 -0.273 1.275 18089
83 1 14 "Average Difference" CB 86 1.284 -0.043 1.291 18089
84 1 14 "Average Difference" HN 90 0.668 -0.197 0.642 18089
85 1 15 "Average Difference" N 90 2.742 -0.261 2.745 18089
86 1 15 "Average Difference" HA 96 0.326 -0.003 0.327 18089
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18089
88 1 15 "Average Difference" CA 91 1.215 -0.295 1.185 18089
89 1 15 "Average Difference" CB 86 1.255 -0.005 1.262 18089
90 1 15 "Average Difference" HN 90 0.646 -0.201 0.618 18089
91 1 16 "Average Difference" N 90 2.834 -0.263 2.837 18089
92 1 16 "Average Difference" HA 96 0.334 0.003 0.336 18089
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18089
94 1 16 "Average Difference" CA 91 1.177 -0.189 1.168 18089
95 1 16 "Average Difference" CB 86 1.188 -0.066 1.194 18089
96 1 16 "Average Difference" HN 90 0.722 -0.228 0.688 18089
97 1 17 "Average Difference" N 90 2.639 -0.239 2.643 18089
98 1 17 "Average Difference" HA 96 0.360 -0.025 0.361 18089
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18089
100 1 17 "Average Difference" CA 91 1.282 -0.171 1.277 18089
101 1 17 "Average Difference" CB 86 1.240 -0.040 1.247 18089
102 1 17 "Average Difference" HN 90 0.659 -0.171 0.640 18089
103 1 18 "Average Difference" N 90 2.781 -0.151 2.792 18089
104 1 18 "Average Difference" HA 96 0.323 -0.001 0.325 18089
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18089
106 1 18 "Average Difference" CA 91 1.221 -0.210 1.210 18089
107 1 18 "Average Difference" CB 86 1.187 -0.125 1.187 18089
108 1 18 "Average Difference" HN 90 0.697 -0.213 0.667 18089
109 1 19 "Average Difference" N 90 2.603 -0.438 2.581 18089
110 1 19 "Average Difference" HA 96 0.338 -0.011 0.340 18089
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18089
112 1 19 "Average Difference" CA 91 1.275 -0.214 1.264 18089
113 1 19 "Average Difference" CB 86 1.227 -0.063 1.233 18089
114 1 19 "Average Difference" HN 90 0.679 -0.196 0.654 18089
115 1 20 "Average Difference" N 90 2.600 -0.299 2.597 18089
116 1 20 "Average Difference" HA 96 0.332 -0.008 0.334 18089
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18089
118 1 20 "Average Difference" CA 91 1.237 -0.244 1.219 18089
119 1 20 "Average Difference" CB 86 1.298 -0.082 1.303 18089
120 1 20 "Average Difference" HN 90 0.674 -0.215 0.642 18089
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 18089
_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 2 118.700 118.700 116.395 2.305 18089
2 1 . 1 1 2 2 SER HA H 2 4.680 4.680 4.567 0.113 18089
3 1 . 1 1 2 2 SER CA C 2 57.280 57.280 57.454 -0.174 18089
4 1 . 1 1 2 2 SER CB C 2 65.190 65.190 64.887 0.303 18089
5 1 . 1 1 2 2 SER H H 2 9.250 9.250 8.174 1.076 18089
6 1 . 1 1 3 3 GLU N N 3 122.910 122.910 122.411 0.499 18089
7 1 . 1 1 3 3 GLU HA H 3 4.110 4.110 4.111 -0.001 18089
8 1 . 1 1 3 3 GLU CA C 3 60.480 60.480 59.096 1.384 18089
9 1 . 1 1 3 3 GLU CB C 3 29.010 29.010 29.780 -0.771 18089
10 1 . 1 1 3 3 GLU H H 3 9.250 9.250 8.802 0.448 18089
11 1 . 1 1 4 4 LEU N N 4 121.150 121.150 117.293 3.857 18089
12 1 . 1 1 4 4 LEU HA H 4 4.050 4.050 4.114 -0.064 18089
13 1 . 1 1 4 4 LEU CA C 4 57.690 57.690 57.553 0.137 18089
14 1 . 1 1 4 4 LEU CB C 4 42.150 42.150 41.126 1.024 18089
15 1 . 1 1 4 4 LEU H H 4 8.940 8.940 7.995 0.945 18089
16 1 . 1 1 5 5 GLU N N 5 118.630 118.630 119.463 -0.833 18089
17 1 . 1 1 5 5 GLU HA H 5 3.240 3.240 4.036 -0.796 18089
18 1 . 1 1 5 5 GLU CA C 5 59.710 59.710 59.377 0.333 18089
19 1 . 1 1 5 5 GLU CB C 5 28.970 28.970 29.142 -0.172 18089
20 1 . 1 1 5 5 GLU H H 5 7.840 7.840 8.545 -0.705 18089
21 1 . 1 1 6 6 THR N N 6 116.040 116.040 115.366 0.674 18089
22 1 . 1 1 6 6 THR HA H 6 4.000 4.000 4.056 -0.056 18089
23 1 . 1 1 6 6 THR CA C 6 66.620 66.620 65.530 1.090 18089
24 1 . 1 1 6 6 THR CB C 6 68.650 68.650 68.295 0.355 18089
25 1 . 1 1 6 6 THR H H 6 8.430 8.430 7.793 0.637 18089
26 1 . 1 1 7 7 ALA N N 7 125.730 125.730 124.996 0.734 18089
27 1 . 1 1 7 7 ALA HA H 7 4.270 4.270 4.091 0.179 18089
28 1 . 1 1 7 7 ALA CA C 7 55.590 55.590 54.971 0.619 18089
29 1 . 1 1 7 7 ALA CB C 7 18.150 18.150 18.468 -0.318 18089
30 1 . 1 1 7 7 ALA H H 7 8.290 8.290 7.408 0.882 18089
31 1 . 1 1 8 8 MET N N 8 115.120 115.120 116.212 -1.092 18089
32 1 . 1 1 8 8 MET HA H 8 4.870 4.870 4.146 0.724 18089
33 1 . 1 1 8 8 MET CA C 8 56.540 56.540 58.910 -2.370 18089
34 1 . 1 1 8 8 MET CB C 8 28.950 28.950 31.895 -2.945 18089
35 1 . 1 1 8 8 MET H H 8 8.100 8.100 7.584 0.516 18089
36 1 . 1 1 9 9 GLU N N 9 120.560 120.560 118.547 2.013 18089
37 1 . 1 1 9 9 GLU HA H 9 4.110 4.110 4.002 0.108 18089
38 1 . 1 1 9 9 GLU CA C 9 60.480 60.480 59.408 1.072 18089
39 1 . 1 1 9 9 GLU CB C 9 28.840 28.840 28.915 -0.075 18089
40 1 . 1 1 9 9 GLU H H 9 8.710 8.710 7.950 0.760 18089
41 1 . 1 1 10 10 THR N N 10 118.800 118.800 113.482 5.318 18089
42 1 . 1 1 10 10 THR HA H 10 4.120 4.120 4.151 -0.031 18089
43 1 . 1 1 10 10 THR CA C 10 67.230 67.230 65.372 1.858 18089
44 1 . 1 1 10 10 THR CB C 10 67.570 67.570 68.620 -1.050 18089
45 1 . 1 1 10 10 THR H H 10 8.470 8.470 7.901 0.569 18089
46 1 . 1 1 11 11 LEU N N 11 121.860 121.860 120.947 0.913 18089
47 1 . 1 1 11 11 LEU HA H 11 4.110 4.110 4.298 -0.188 18089
48 1 . 1 1 11 11 LEU CA C 11 60.480 60.480 57.909 2.571 18089
49 1 . 1 1 11 11 LEU CB C 11 41.940 41.940 40.794 1.146 18089
50 1 . 1 1 11 11 LEU H H 11 8.340 8.340 7.721 0.619 18089
51 1 . 1 1 12 12 ILE N N 12 121.270 121.270 117.741 3.529 18089
52 1 . 1 1 12 12 ILE HA H 12 3.550 3.550 4.128 -0.578 18089
53 1 . 1 1 12 12 ILE CA C 12 66.160 66.160 64.838 1.322 18089
54 1 . 1 1 12 12 ILE CB C 12 38.400 38.400 37.893 0.507 18089
55 1 . 1 1 12 12 ILE H H 12 8.480 8.480 7.886 0.594 18089
56 1 . 1 1 13 13 ASN N N 13 120.510 120.510 120.186 0.324 18089
57 1 . 1 1 13 13 ASN HA H 13 4.350 4.350 4.490 -0.140 18089
58 1 . 1 1 13 13 ASN CA C 13 56.490 56.490 56.346 0.144 18089
59 1 . 1 1 13 13 ASN CB C 13 37.940 37.940 37.777 0.163 18089
60 1 . 1 1 13 13 ASN H H 13 8.690 8.690 8.483 0.207 18089
61 1 . 1 1 14 14 VAL N N 14 121.990 121.990 118.528 3.462 18089
62 1 . 1 1 14 14 VAL HA H 14 3.870 3.870 3.975 -0.105 18089
63 1 . 1 1 14 14 VAL CA C 14 66.550 66.550 64.426 2.124 18089
64 1 . 1 1 14 14 VAL CB C 14 31.710 31.710 32.359 -0.649 18089
65 1 . 1 1 14 14 VAL H H 14 8.880 8.880 7.438 1.442 18089
66 1 . 1 1 15 15 PHE N N 15 120.470 120.470 120.282 0.188 18089
67 1 . 1 1 15 15 PHE HA H 15 3.570 3.570 3.724 -0.154 18089
68 1 . 1 1 15 15 PHE CA C 15 62.480 62.480 61.007 1.473 18089
69 1 . 1 1 15 15 PHE CB C 15 39.500 39.500 39.141 0.359 18089
70 1 . 1 1 15 15 PHE H H 15 7.480 7.480 7.879 -0.399 18089
71 1 . 1 1 16 16 HIS N N 16 118.280 118.280 117.040 1.240 18089
72 1 . 1 1 16 16 HIS HA H 16 5.250 5.250 4.359 0.891 18089
73 1 . 1 1 16 16 HIS CA C 16 54.970 54.970 57.733 -2.763 18089
74 1 . 1 1 16 16 HIS CB C 16 30.130 30.130 30.353 -0.223 18089
75 1 . 1 1 16 16 HIS H H 16 9.270 9.270 8.356 0.914 18089
76 1 . 1 1 17 17 ALA N N 17 121.080 121.080 122.482 -1.402 18089
77 1 . 1 1 17 17 ALA HA H 17 3.840 3.840 3.991 -0.151 18089
78 1 . 1 1 17 17 ALA CA C 17 54.440 54.440 54.169 0.271 18089
79 1 . 1 1 17 17 ALA CB C 17 17.600 17.600 18.867 -1.267 18089
80 1 . 1 1 17 17 ALA H H 17 8.160 8.160 7.398 0.762 18089
81 1 . 1 1 18 18 HIS N N 18 112.570 112.570 114.237 -1.667 18089
82 1 . 1 1 18 18 HIS HA H 18 4.350 4.350 4.621 -0.271 18089
83 1 . 1 1 18 18 HIS CA C 18 56.490 56.490 55.074 1.416 18089
84 1 . 1 1 18 18 HIS CB C 18 30.990 30.990 30.144 0.846 18089
85 1 . 1 1 18 18 HIS H H 18 7.410 7.410 7.598 -0.188 18089
86 1 . 1 1 19 19 SER HA H 19 4.110 4.110 4.145 -0.035 18089
87 1 . 1 1 19 19 SER CA C 19 60.480 60.480 58.624 1.856 18089
88 1 . 1 1 19 19 SER CB C 19 61.800 61.800 63.465 -1.665 18089
89 1 . 1 1 20 20 GLY N N 20 106.720 106.720 112.823 -6.103 18089
90 1 . 1 1 20 20 GLY CA C 20 45.240 45.240 45.386 -0.146 18089
91 1 . 1 1 20 20 GLY H H 20 8.260 8.260 8.399 -0.140 18089
92 1 . 1 1 21 21 LYS N N 21 120.240 120.240 120.919 -0.679 18089
93 1 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.091 -0.101 18089
94 1 . 1 1 21 21 LYS CA C 21 58.460 58.460 58.085 0.375 18089
95 1 . 1 1 21 21 LYS CB C 21 32.500 32.500 32.144 0.356 18089
96 1 . 1 1 21 21 LYS H H 21 7.640 7.640 7.959 -0.319 18089
97 1 . 1 1 22 22 GLU N N 22 117.060 117.060 118.169 -1.109 18089
98 1 . 1 1 22 22 GLU HA H 22 4.430 4.430 4.187 0.243 18089
99 1 . 1 1 22 22 GLU CA C 22 55.380 55.380 57.178 -1.798 18089
100 1 . 1 1 22 22 GLU CB C 22 31.040 31.040 29.795 1.245 18089
101 1 . 1 1 22 22 GLU H H 22 7.840 7.840 8.281 -0.441 18089
102 1 . 1 1 23 23 GLY N N 23 107.770 107.770 105.681 2.089 18089
103 1 . 1 1 23 23 GLY CA C 23 45.830 45.830 44.874 0.957 18089
104 1 . 1 1 23 23 GLY H H 23 8.100 8.100 8.148 -0.048 18089
105 1 . 1 1 24 24 ASP N N 24 122.990 122.990 120.758 2.232 18089
106 1 . 1 1 24 24 ASP HA H 24 4.580 4.580 4.914 -0.334 18089
107 1 . 1 1 24 24 ASP CA C 24 53.610 53.610 52.932 0.678 18089
108 1 . 1 1 24 24 ASP CB C 24 42.360 42.360 42.489 -0.129 18089
109 1 . 1 1 24 24 ASP H H 24 8.190 8.190 8.030 0.160 18089
110 1 . 1 1 25 25 LYS N N 25 124.920 124.920 121.455 3.465 18089
111 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.087 0.003 18089
112 1 . 1 1 25 25 LYS CA C 25 57.370 57.370 57.820 -0.450 18089
113 1 . 1 1 25 25 LYS CB C 25 32.010 32.010 32.583 -0.573 18089
114 1 . 1 1 25 25 LYS H H 25 8.440 8.440 8.597 -0.157 18089
115 1 . 1 1 26 26 TYR N N 26 117.220 117.220 115.759 1.461 18089
116 1 . 1 1 26 26 TYR HA H 26 5.120 5.120 4.664 0.456 18089
117 1 . 1 1 26 26 TYR CA C 26 57.380 57.380 57.935 -0.555 18089
118 1 . 1 1 26 26 TYR CB C 26 37.700 37.700 38.135 -0.435 18089
119 1 . 1 1 26 26 TYR H H 26 8.490 8.490 7.969 0.521 18089
120 1 . 1 1 27 27 LYS N N 27 118.300 118.300 117.895 0.405 18089
121 1 . 1 1 27 27 LYS HA H 27 5.490 5.490 5.499 -0.009 18089
122 1 . 1 1 27 27 LYS CA C 27 53.820 53.820 54.289 -0.469 18089
123 1 . 1 1 27 27 LYS CB C 27 37.460 37.460 37.020 0.440 18089
124 1 . 1 1 27 27 LYS H H 27 7.870 7.870 7.526 0.344 18089
125 1 . 1 1 28 28 LEU N N 28 121.380 121.380 119.812 1.568 18089
126 1 . 1 1 28 28 LEU HA H 28 4.730 4.730 4.632 0.098 18089
127 1 . 1 1 28 28 LEU CA C 28 52.820 52.820 54.262 -1.442 18089
128 1 . 1 1 28 28 LEU CB C 28 46.370 46.370 45.921 0.448 18089
129 1 . 1 1 28 28 LEU H H 28 8.830 8.830 8.944 -0.114 18089
130 1 . 1 1 29 29 SER N N 29 120.620 120.620 115.481 5.139 18089
131 1 . 1 1 29 29 SER HA H 29 5.030 5.030 5.010 0.020 18089
132 1 . 1 1 29 29 SER CA C 29 57.890 57.890 57.572 0.318 18089
133 1 . 1 1 29 29 SER CB C 29 64.270 64.270 64.834 -0.564 18089
134 1 . 1 1 29 29 SER H H 29 8.940 8.940 8.574 0.366 18089
135 1 . 1 1 30 30 LYS N N 30 124.430 124.430 123.621 0.809 18089
136 1 . 1 1 30 30 LYS HA H 30 3.870 3.870 4.080 -0.210 18089
137 1 . 1 1 30 30 LYS CA C 30 61.630 61.630 60.255 1.375 18089
138 1 . 1 1 30 30 LYS CB C 30 31.710 31.710 32.649 -0.939 18089
139 1 . 1 1 30 30 LYS H H 30 8.820 8.820 8.463 0.357 18089
140 1 . 1 1 31 31 LYS N N 31 120.230 120.230 118.535 1.695 18089
141 1 . 1 1 31 31 LYS HA H 31 4.170 4.170 3.954 0.216 18089
142 1 . 1 1 31 31 LYS CA C 31 59.340 59.340 59.242 0.098 18089
143 1 . 1 1 31 31 LYS CB C 31 32.500 32.500 31.798 0.702 18089
144 1 . 1 1 31 31 LYS H H 31 8.730 8.730 7.778 0.952 18089
145 1 . 1 1 32 32 GLU N N 32 121.570 121.570 119.972 1.598 18089
146 1 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.087 0.013 18089
147 1 . 1 1 32 32 GLU CA C 32 58.040 58.040 58.914 -0.874 18089
148 1 . 1 1 32 32 GLU CB C 32 28.670 28.670 29.222 -0.552 18089
149 1 . 1 1 32 32 GLU H H 32 7.780 7.780 7.850 -0.070 18089
150 1 . 1 1 33 33 LEU N N 33 121.620 121.620 119.708 1.912 18089
151 1 . 1 1 33 33 LEU HA H 33 4.000 4.000 3.963 0.037 18089
152 1 . 1 1 33 33 LEU CA C 33 57.290 57.290 57.672 -0.382 18089
153 1 . 1 1 33 33 LEU CB C 33 40.500 40.500 41.836 -1.336 18089
154 1 . 1 1 33 33 LEU H H 33 8.910 8.910 7.568 1.342 18089
155 1 . 1 1 34 34 LYS N N 34 120.460 120.460 119.191 1.269 18089
156 1 . 1 1 34 34 LYS HA H 34 3.620 3.620 3.998 -0.378 18089
157 1 . 1 1 34 34 LYS CA C 34 60.940 60.940 59.597 1.343 18089
158 1 . 1 1 34 34 LYS CB C 34 31.410 31.410 32.233 -0.823 18089
159 1 . 1 1 34 34 LYS H H 34 8.440 8.440 8.282 0.158 18089
160 1 . 1 1 35 35 GLU N N 35 117.190 117.190 119.159 -1.969 18089
161 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.429 -0.359 18089
162 1 . 1 1 35 35 GLU CA C 35 59.270 59.270 58.879 0.391 18089
163 1 . 1 1 35 35 GLU CB C 35 29.030 29.030 29.816 -0.786 18089
164 1 . 1 1 35 35 GLU H H 35 7.200 7.200 7.816 -0.616 18089
165 1 . 1 1 36 36 LEU N N 36 122.760 122.760 118.319 4.441 18089
166 1 . 1 1 36 36 LEU HA H 36 3.760 3.760 4.249 -0.489 18089
167 1 . 1 1 36 36 LEU CA C 36 59.000 59.000 57.778 1.222 18089
168 1 . 1 1 36 36 LEU CB C 36 42.280 42.280 41.476 0.804 18089
169 1 . 1 1 36 36 LEU H H 36 8.310 8.310 7.666 0.644 18089
170 1 . 1 1 37 37 LEU N N 37 120.220 120.220 118.892 1.328 18089
171 1 . 1 1 37 37 LEU HA H 37 3.680 3.680 4.295 -0.615 18089
172 1 . 1 1 37 37 LEU CA C 37 58.320 58.320 57.508 0.812 18089
173 1 . 1 1 37 37 LEU CB C 37 41.520 41.520 42.563 -1.043 18089
174 1 . 1 1 37 37 LEU H H 37 8.820 8.820 8.403 0.417 18089
175 1 . 1 1 38 38 GLN N N 38 113.470 113.470 116.907 -3.437 18089
176 1 . 1 1 38 38 GLN HA H 38 3.760 3.760 4.195 -0.435 18089
177 1 . 1 1 38 38 GLN CA C 38 59.000 59.000 58.095 0.905 18089
178 1 . 1 1 38 38 GLN CB C 38 28.860 28.860 28.479 0.381 18089
179 1 . 1 1 38 38 GLN H H 38 8.110 8.110 7.983 0.127 18089
180 1 . 1 1 39 39 THR N N 39 109.960 109.960 112.708 -2.748 18089
181 1 . 1 1 39 39 THR HA H 39 4.290 4.290 4.370 -0.080 18089
182 1 . 1 1 39 39 THR CA C 39 64.560 64.560 63.412 1.148 18089
183 1 . 1 1 39 39 THR CB C 39 69.750 69.750 69.305 0.445 18089
184 1 . 1 1 39 39 THR H H 39 7.720 7.720 7.618 0.102 18089
185 1 . 1 1 40 40 GLU N N 40 118.420 118.420 119.466 -1.046 18089
186 1 . 1 1 40 40 GLU HA H 40 4.720 4.720 4.400 0.320 18089
187 1 . 1 1 40 40 GLU CA C 40 56.790 56.790 56.908 -0.118 18089
188 1 . 1 1 40 40 GLU CB C 40 30.200 30.200 31.971 -1.771 18089
189 1 . 1 1 40 40 GLU H H 40 9.020 9.020 8.025 0.995 18089
190 1 . 1 1 41 41 LEU N N 41 119.120 119.120 120.007 -0.887 18089
191 1 . 1 1 41 41 LEU HA H 41 5.130 5.130 4.617 0.513 18089
192 1 . 1 1 41 41 LEU CA C 41 53.160 53.160 54.106 -0.946 18089
193 1 . 1 1 41 41 LEU CB C 41 42.040 42.040 43.235 -1.195 18089
194 1 . 1 1 41 41 LEU H H 41 7.760 7.760 7.653 0.107 18089
195 1 . 1 1 42 42 SER N N 42 112.960 112.960 116.606 -3.646 18089
196 1 . 1 1 42 42 SER HA H 42 3.870 3.870 4.308 -0.438 18089
197 1 . 1 1 42 42 SER CA C 42 61.630 61.630 58.353 3.277 18089
198 1 . 1 1 42 42 SER CB C 42 62.790 62.790 61.861 0.929 18089
199 1 . 1 1 42 42 SER H H 42 6.940 6.940 8.138 -1.198 18089
200 1 . 1 1 43 43 GLY N N 43 114.580 114.580 111.796 2.784 18089
201 1 . 1 1 43 43 GLY CA C 43 46.780 46.780 45.673 1.107 18089
202 1 . 1 1 43 43 GLY H H 43 9.250 9.250 8.607 0.643 18089
203 1 . 1 1 44 44 PHE N N 44 124.560 124.560 118.815 5.745 18089
204 1 . 1 1 44 44 PHE HA H 44 4.590 4.590 4.357 0.233 18089
205 1 . 1 1 44 44 PHE CA C 44 57.480 57.480 59.512 -2.032 18089
206 1 . 1 1 44 44 PHE CB C 44 35.950 35.950 38.388 -2.438 18089
207 1 . 1 1 44 44 PHE H H 44 8.320 8.320 7.293 1.027 18089
208 1 . 1 1 45 45 LEU N N 45 116.140 116.140 119.709 -3.569 18089
209 1 . 1 1 45 45 LEU HA H 45 4.170 4.170 4.035 0.135 18089
210 1 . 1 1 45 45 LEU CA C 45 57.370 57.370 57.772 -0.402 18089
211 1 . 1 1 45 45 LEU CB C 45 41.250 41.250 40.806 0.444 18089
212 1 . 1 1 45 45 LEU H H 45 8.650 8.650 7.939 0.712 18089
213 1 . 1 1 46 46 ASP N N 46 119.960 119.960 116.779 3.181 18089
214 1 . 1 1 46 46 ASP HA H 46 4.710 4.710 4.553 0.157 18089
215 1 . 1 1 46 46 ASP CA C 46 55.640 55.640 55.095 0.545 18089
216 1 . 1 1 46 46 ASP CB C 46 41.520 41.520 41.046 0.474 18089
217 1 . 1 1 46 46 ASP H H 46 7.730 7.730 7.866 -0.136 18089
218 1 . 1 1 47 47 ALA N N 47 124.260 124.260 120.916 3.344 18089
219 1 . 1 1 47 47 ALA HA H 47 4.620 4.620 4.560 0.060 18089
220 1 . 1 1 47 47 ALA CA C 47 50.510 50.510 52.173 -1.663 18089
221 1 . 1 1 47 47 ALA CB C 47 18.850 18.850 20.377 -1.527 18089
222 1 . 1 1 47 47 ALA H H 47 7.740 7.740 7.571 0.169 18089
223 1 . 1 1 48 48 GLN N N 48 117.380 117.380 120.486 -3.106 18089
224 1 . 1 1 48 48 GLN HA H 48 4.090 4.090 4.185 -0.095 18089
225 1 . 1 1 48 48 GLN CA C 48 57.370 57.370 55.986 1.384 18089
226 1 . 1 1 48 48 GLN CB C 48 30.470 30.470 28.652 1.818 18089
227 1 . 1 1 48 48 GLN H H 48 7.650 7.650 8.454 -0.804 18089
228 1 . 1 1 49 49 LYS N N 49 121.400 121.400 121.677 -0.277 18089
229 1 . 1 1 49 49 LYS HA H 49 4.130 4.130 4.308 -0.178 18089
230 1 . 1 1 49 49 LYS CA C 49 56.240 56.240 56.395 -0.155 18089
231 1 . 1 1 49 49 LYS CB C 49 30.920 30.920 33.000 -2.080 18089
232 1 . 1 1 49 49 LYS H H 49 8.000 8.000 8.361 -0.361 18089
233 1 . 1 1 50 50 ASP N N 50 119.180 119.180 122.818 -3.638 18089
234 1 . 1 1 50 50 ASP HA H 50 4.660 4.660 4.855 -0.195 18089
235 1 . 1 1 50 50 ASP CA C 50 51.600 51.600 53.720 -2.120 18089
236 1 . 1 1 50 50 ASP CB C 50 39.860 39.860 39.668 0.192 18089
237 1 . 1 1 50 50 ASP H H 50 7.500 7.500 7.847 -0.347 18089
238 1 . 1 1 51 51 VAL N N 51 122.100 122.100 124.782 -2.682 18089
239 1 . 1 1 51 51 VAL HA H 51 3.860 3.860 3.629 0.231 18089
240 1 . 1 1 51 51 VAL CA C 51 64.750 64.750 66.308 -1.558 18089
241 1 . 1 1 51 51 VAL CB C 51 31.970 31.970 31.748 0.222 18089
242 1 . 1 1 51 51 VAL H H 51 7.670 7.670 8.317 -0.647 18089
243 1 . 1 1 52 52 ASP N N 52 119.490 119.490 119.830 -0.340 18089
244 1 . 1 1 52 52 ASP HA H 52 4.350 4.350 4.345 0.005 18089
245 1 . 1 1 52 52 ASP CA C 52 57.160 57.160 57.567 -0.407 18089
246 1 . 1 1 52 52 ASP CB C 52 40.600 40.600 40.306 0.294 18089
247 1 . 1 1 52 52 ASP H H 52 8.130 8.130 8.401 -0.271 18089
248 1 . 1 1 53 53 ALA N N 53 122.220 122.220 122.030 0.190 18089
249 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.247 -0.227 18089
250 1 . 1 1 53 53 ALA CA C 53 54.560 54.560 54.883 -0.323 18089
251 1 . 1 1 53 53 ALA CB C 53 18.740 18.740 18.774 -0.034 18089
252 1 . 1 1 53 53 ALA H H 53 7.540 7.540 7.720 -0.180 18089
253 1 . 1 1 54 54 VAL N N 54 118.080 118.080 118.895 -0.815 18089
254 1 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.563 -0.213 18089
255 1 . 1 1 54 54 VAL CA C 54 66.580 66.580 66.829 -0.249 18089
256 1 . 1 1 54 54 VAL CB C 54 31.720 31.720 31.209 0.511 18089
257 1 . 1 1 54 54 VAL H H 54 7.310 7.310 8.269 -0.959 18089
258 1 . 1 1 55 55 ASP N N 55 119.630 119.630 119.470 0.160 18089
259 1 . 1 1 55 55 ASP HA H 55 4.280 4.280 4.456 -0.176 18089
260 1 . 1 1 55 55 ASP CA C 55 57.380 57.380 57.360 0.020 18089
261 1 . 1 1 55 55 ASP CB C 55 40.910 40.910 40.832 0.078 18089
262 1 . 1 1 55 55 ASP H H 55 8.530 8.530 8.753 -0.223 18089
263 1 . 1 1 56 56 LYS N N 56 118.060 118.060 119.797 -1.737 18089
264 1 . 1 1 56 56 LYS HA H 56 3.930 3.930 4.111 -0.180 18089
265 1 . 1 1 56 56 LYS CA C 56 59.820 59.820 59.303 0.516 18089
266 1 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.616 -0.116 18089
267 1 . 1 1 56 56 LYS H H 56 7.950 7.950 7.465 0.485 18089
268 1 . 1 1 57 57 VAL N N 57 119.310 119.310 121.059 -1.749 18089
269 1 . 1 1 57 57 VAL HA H 57 3.720 3.720 3.916 -0.196 18089
270 1 . 1 1 57 57 VAL CA C 57 66.060 66.060 64.663 1.397 18089
271 1 . 1 1 57 57 VAL CB C 57 32.090 32.090 31.986 0.104 18089
272 1 . 1 1 57 57 VAL H H 57 7.280 7.280 8.050 -0.770 18089
273 1 . 1 1 58 58 MET N N 58 115.980 115.980 119.176 -3.196 18089
274 1 . 1 1 58 58 MET HA H 58 4.090 4.090 4.086 0.004 18089
275 1 . 1 1 58 58 MET CA C 58 57.370 57.370 58.919 -1.549 18089
276 1 . 1 1 58 58 MET CB C 58 31.310 31.310 31.818 -0.508 18089
277 1 . 1 1 58 58 MET H H 58 8.360 8.360 8.132 0.228 18089
278 1 . 1 1 59 59 LYS N N 59 118.900 118.900 117.149 1.751 18089
279 1 . 1 1 59 59 LYS HA H 59 4.070 4.070 4.078 -0.008 18089
280 1 . 1 1 59 59 LYS CA C 59 59.270 59.270 59.151 0.119 18089
281 1 . 1 1 59 59 LYS CB C 59 32.510 32.510 31.786 0.723 18089
282 1 . 1 1 59 59 LYS H H 59 8.620 8.620 7.725 0.895 18089
283 1 . 1 1 60 60 GLU N N 60 119.830 119.830 121.095 -1.265 18089
284 1 . 1 1 60 60 GLU HA H 60 4.070 4.070 4.280 -0.210 18089
285 1 . 1 1 60 60 GLU CA C 60 59.270 59.270 58.689 0.581 18089
286 1 . 1 1 60 60 GLU CB C 60 28.660 28.660 30.119 -1.459 18089
287 1 . 1 1 60 60 GLU H H 60 7.430 7.430 7.500 -0.070 18089
288 1 . 1 1 61 61 LEU N N 61 116.920 116.920 120.750 -3.830 18089
289 1 . 1 1 61 61 LEU HA H 61 3.950 3.950 4.116 -0.166 18089
290 1 . 1 1 61 61 LEU CA C 61 57.270 57.270 57.610 -0.340 18089
291 1 . 1 1 61 61 LEU CB C 61 40.550 40.550 41.513 -0.963 18089
292 1 . 1 1 61 61 LEU H H 61 7.580 7.580 8.515 -0.935 18089
293 1 . 1 1 62 62 ASP N N 62 116.060 116.060 118.069 -2.009 18089
294 1 . 1 1 62 62 ASP HA H 62 4.460 4.460 4.388 0.072 18089
295 1 . 1 1 62 62 ASP CA C 62 56.160 56.160 56.944 -0.784 18089
296 1 . 1 1 62 62 ASP CB C 62 41.640 41.640 40.995 0.645 18089
297 1 . 1 1 62 62 ASP H H 62 7.610 7.610 8.009 -0.399 18089
298 1 . 1 1 63 63 GLU N N 63 118.870 118.870 115.280 3.590 18089
299 1 . 1 1 63 63 GLU HA H 63 4.100 4.100 4.353 -0.253 18089
300 1 . 1 1 63 63 GLU CA C 63 58.040 58.040 57.328 0.712 18089
301 1 . 1 1 63 63 GLU CB C 63 30.050 30.050 29.940 0.110 18089
302 1 . 1 1 63 63 GLU H H 63 8.120 8.120 7.706 0.414 18089
303 1 . 1 1 64 64 ASN N N 64 117.720 117.720 118.325 -0.605 18089
304 1 . 1 1 64 64 ASN HA H 64 5.160 5.160 4.874 0.286 18089
305 1 . 1 1 64 64 ASN CA C 64 51.930 51.930 53.869 -1.939 18089
306 1 . 1 1 64 64 ASN CB C 64 38.650 38.650 39.418 -0.768 18089
307 1 . 1 1 64 64 ASN H H 64 7.720 7.720 8.193 -0.473 18089
308 1 . 1 1 65 65 GLY N N 65 107.110 107.110 109.836 -2.726 18089
309 1 . 1 1 65 65 GLY CA C 65 47.910 47.910 47.096 0.814 18089
310 1 . 1 1 65 65 GLY H H 65 7.750 7.750 8.360 -0.610 18089
311 1 . 1 1 66 66 ASP N N 66 115.600 115.600 120.450 -4.850 18089
312 1 . 1 1 66 66 ASP HA H 66 4.840 4.840 4.677 0.163 18089
313 1 . 1 1 66 66 ASP CA C 66 54.050 54.050 54.239 -0.189 18089
314 1 . 1 1 66 66 ASP CB C 66 40.600 40.600 40.770 -0.170 18089
315 1 . 1 1 66 66 ASP H H 66 8.320 8.320 7.872 0.448 18089
316 1 . 1 1 67 67 GLY N N 67 109.220 109.220 108.683 0.537 18089
317 1 . 1 1 67 67 GLY CA C 67 44.810 44.810 44.599 0.211 18089
318 1 . 1 1 67 67 GLY H H 67 8.260 8.260 7.873 0.387 18089
319 1 . 1 1 68 68 GLU N N 68 117.450 117.450 119.218 -1.769 18089
320 1 . 1 1 68 68 GLU HA H 68 5.250 5.250 5.103 0.147 18089
321 1 . 1 1 68 68 GLU CA C 68 54.970 54.970 55.361 -0.391 18089
322 1 . 1 1 68 68 GLU CB C 68 33.920 33.920 32.585 1.335 18089
323 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.351 0.149 18089
324 1 . 1 1 69 69 VAL N N 69 115.390 115.390 116.276 -0.886 18089
325 1 . 1 1 69 69 VAL HA H 69 4.970 4.970 4.677 0.293 18089
326 1 . 1 1 69 69 VAL CA C 69 59.130 59.130 59.517 -0.386 18089
327 1 . 1 1 69 69 VAL CB C 69 35.090 35.090 35.060 0.030 18089
328 1 . 1 1 69 69 VAL H H 69 9.190 9.190 9.141 0.049 18089
329 1 . 1 1 70 70 ASP N N 70 120.970 120.970 117.427 3.543 18089
330 1 . 1 1 70 70 ASP HA H 70 5.570 5.570 5.215 0.355 18089
331 1 . 1 1 70 70 ASP CA C 70 51.040 51.040 52.745 -1.705 18089
332 1 . 1 1 70 70 ASP CB C 70 42.740 42.740 43.638 -0.898 18089
333 1 . 1 1 70 70 ASP H H 70 8.300 8.300 8.175 0.125 18089
334 1 . 1 1 71 71 PHE N N 71 119.360 119.360 119.830 -0.470 18089
335 1 . 1 1 71 71 PHE HA H 71 3.480 3.480 3.163 0.317 18089
336 1 . 1 1 71 71 PHE CA C 71 61.500 61.500 61.699 -0.199 18089
337 1 . 1 1 71 71 PHE CB C 71 40.600 40.600 39.645 0.955 18089
338 1 . 1 1 71 71 PHE H H 71 9.520 9.520 8.965 0.555 18089
339 1 . 1 1 72 72 GLN N N 72 116.880 116.880 118.764 -1.884 18089
340 1 . 1 1 72 72 GLN HA H 72 3.420 3.420 3.821 -0.401 18089
341 1 . 1 1 72 72 GLN CA C 72 60.780 60.780 59.145 1.635 18089
342 1 . 1 1 72 72 GLN CB C 72 28.980 28.980 28.439 0.541 18089
343 1 . 1 1 72 72 GLN H H 72 8.180 8.180 8.562 -0.382 18089
344 1 . 1 1 73 73 GLU N N 73 119.720 119.720 119.491 0.229 18089
345 1 . 1 1 73 73 GLU HA H 73 3.990 3.990 4.022 -0.032 18089
346 1 . 1 1 73 73 GLU CA C 73 59.190 59.190 58.785 0.405 18089
347 1 . 1 1 73 73 GLU CB C 73 30.470 30.470 29.331 1.139 18089
348 1 . 1 1 73 73 GLU H H 73 8.250 8.250 8.068 0.182 18089
349 1 . 1 1 74 74 TYR N N 74 122.440 122.440 120.968 1.472 18089
350 1 . 1 1 74 74 TYR HA H 74 4.340 4.340 4.144 0.196 18089
351 1 . 1 1 74 74 TYR CA C 74 60.270 60.270 61.047 -0.777 18089
352 1 . 1 1 74 74 TYR CB C 74 36.820 36.820 38.157 -1.337 18089
353 1 . 1 1 74 74 TYR H H 74 8.250 8.250 8.071 0.179 18089
354 1 . 1 1 75 75 VAL N N 75 120.220 120.220 117.799 2.421 18089
355 1 . 1 1 75 75 VAL HA H 75 2.660 2.660 3.364 -0.704 18089
356 1 . 1 1 75 75 VAL CA C 75 66.980 66.980 65.789 1.191 18089
357 1 . 1 1 75 75 VAL CB C 75 30.480 30.480 31.289 -0.809 18089
358 1 . 1 1 75 75 VAL H H 75 8.010 8.010 7.427 0.583 18089
359 1 . 1 1 76 76 VAL N N 76 119.350 119.350 120.451 -1.102 18089
360 1 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.683 -0.333 18089
361 1 . 1 1 76 76 VAL CA C 76 66.610 66.610 65.496 1.114 18089
362 1 . 1 1 76 76 VAL CB C 76 31.710 31.710 31.775 -0.065 18089
363 1 . 1 1 76 76 VAL H H 76 7.540 7.540 7.959 -0.419 18089
364 1 . 1 1 77 77 LEU N N 77 121.420 121.420 120.568 0.852 18089
365 1 . 1 1 77 77 LEU HA H 77 4.180 4.180 3.875 0.305 18089
366 1 . 1 1 77 77 LEU CA C 77 58.260 58.260 58.391 -0.131 18089
367 1 . 1 1 77 77 LEU CB C 77 41.950 41.950 41.424 0.526 18089
368 1 . 1 1 77 77 LEU H H 77 7.760 7.760 8.229 -0.469 18089
369 1 . 1 1 78 78 VAL N N 78 119.530 119.530 114.425 5.105 18089
370 1 . 1 1 78 78 VAL HA H 78 3.440 3.440 3.737 -0.297 18089
371 1 . 1 1 78 78 VAL CA C 78 67.230 67.230 65.228 2.002 18089
372 1 . 1 1 78 78 VAL CB C 78 31.410 31.410 30.869 0.541 18089
373 1 . 1 1 78 78 VAL H H 78 8.370 8.370 7.164 1.206 18089
374 1 . 1 1 79 79 ALA N N 79 125.030 125.030 122.927 2.103 18089
375 1 . 1 1 79 79 ALA HA H 79 4.030 4.030 4.079 -0.049 18089
376 1 . 1 1 79 79 ALA CA C 79 56.070 56.070 54.169 1.901 18089
377 1 . 1 1 79 79 ALA CB C 79 18.020 18.020 18.440 -0.420 18089
378 1 . 1 1 79 79 ALA H H 79 9.070 9.070 7.210 1.860 18089
379 1 . 1 1 80 80 ALA N N 80 122.060 122.060 121.524 0.536 18089
380 1 . 1 1 80 80 ALA HA H 80 3.990 3.990 3.875 0.115 18089
381 1 . 1 1 80 80 ALA CA C 80 55.380 55.380 54.975 0.405 18089
382 1 . 1 1 80 80 ALA CB C 80 17.560 17.560 18.154 -0.594 18089
383 1 . 1 1 80 80 ALA H H 80 8.350 8.350 8.518 -0.168 18089
384 1 . 1 1 81 81 LEU N N 81 117.650 117.650 115.745 1.905 18089
385 1 . 1 1 81 81 LEU HA H 81 4.050 4.050 3.768 0.282 18089
386 1 . 1 1 81 81 LEU CA C 81 57.690 57.690 57.177 0.513 18089
387 1 . 1 1 81 81 LEU CB C 81 41.830 41.830 41.134 0.696 18089
388 1 . 1 1 81 81 LEU H H 81 8.060 8.060 7.355 0.705 18089
389 1 . 1 1 82 82 THR N N 82 117.560 117.560 115.382 2.178 18089
390 1 . 1 1 82 82 THR HA H 82 3.680 3.680 2.960 0.720 18089
391 1 . 1 1 82 82 THR CA C 82 68.820 68.820 66.258 2.562 18089
392 1 . 1 1 82 82 THR CB C 82 67.570 67.570 68.316 -0.745 18089
393 1 . 1 1 82 82 THR H H 82 8.320 8.320 6.905 1.414 18089
394 1 . 1 1 83 83 VAL N N 83 121.390 121.390 118.033 3.356 18089
395 1 . 1 1 83 83 VAL HA H 83 3.090 3.090 3.651 -0.561 18089
396 1 . 1 1 83 83 VAL CA C 83 65.120 65.120 65.621 -0.501 18089
397 1 . 1 1 83 83 VAL CB C 83 30.880 30.880 30.447 0.433 18089
398 1 . 1 1 83 83 VAL H H 83 8.000 8.000 7.804 0.196 18089
399 1 . 1 1 84 84 ALA N N 84 116.970 116.970 122.427 -5.457 18089
400 1 . 1 1 84 84 ALA HA H 84 4.580 4.580 4.014 0.566 18089
401 1 . 1 1 84 84 ALA CA C 84 53.640 53.640 54.994 -1.354 18089
402 1 . 1 1 84 84 ALA CB C 84 20.820 20.820 18.110 2.710 18089
403 1 . 1 1 84 84 ALA H H 84 7.100 7.100 7.417 -0.317 18089
404 1 . 1 1 85 85 CYS N N 85 112.170 112.170 114.738 -2.568 18089
405 1 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.487 0.053 18089
406 1 . 1 1 85 85 CYS CA C 85 60.330 60.330 59.493 0.837 18089
407 1 . 1 1 85 85 CYS CB C 85 32.390 32.390 27.981 4.408 18089
408 1 . 1 1 85 85 CYS H H 85 7.360 7.360 7.651 -0.291 18089
409 1 . 1 1 86 86 ASN N N 86 118.980 118.980 120.232 -1.252 18089
410 1 . 1 1 86 86 ASN HA H 86 4.480 4.480 4.781 -0.301 18089
411 1 . 1 1 86 86 ASN CA C 86 54.750 54.750 55.642 -0.891 18089
412 1 . 1 1 86 86 ASN CB C 86 42.110 42.110 38.967 3.144 18089
413 1 . 1 1 86 86 ASN H H 86 8.440 8.440 8.385 0.055 18089
414 1 . 1 1 87 87 ASN N N 87 124.820 124.820 119.815 5.005 18089
415 1 . 1 1 87 87 ASN HA H 87 4.350 4.350 4.183 0.167 18089
416 1 . 1 1 87 87 ASN CA C 87 56.490 56.490 55.440 1.050 18089
417 1 . 1 1 87 87 ASN CB C 87 38.330 38.330 37.684 0.646 18089
418 1 . 1 1 87 87 ASN H H 87 9.210 9.210 7.873 1.337 18089
419 1 . 1 1 88 88 PHE N N 88 120.560 120.560 120.470 0.090 18089
420 1 . 1 1 88 88 PHE HA H 88 4.110 4.110 3.249 0.861 18089
421 1 . 1 1 88 88 PHE CA C 88 60.480 60.480 60.015 0.465 18089
422 1 . 1 1 88 88 PHE CB C 88 39.460 39.460 38.666 0.794 18089
423 1 . 1 1 88 88 PHE H H 88 8.690 8.690 7.469 1.221 18089
424 1 . 1 1 89 89 PHE N N 89 112.650 112.650 117.086 -4.436 18089
425 1 . 1 1 89 89 PHE HA H 89 3.760 3.760 4.328 -0.568 18089
426 1 . 1 1 89 89 PHE CA C 89 59.000 59.000 58.402 0.598 18089
427 1 . 1 1 89 89 PHE CB C 89 39.020 39.020 38.216 0.803 18089
428 1 . 1 1 89 89 PHE H H 89 7.440 7.440 8.061 -0.621 18089
429 1 . 1 1 90 90 TRP N N 90 118.650 118.650 118.481 0.169 18089
430 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.547 0.043 18089
431 1 . 1 1 90 90 TRP CA C 90 56.300 56.300 55.008 1.292 18089
432 1 . 1 1 90 90 TRP CB C 90 31.450 31.450 26.945 4.505 18089
433 1 . 1 1 90 90 TRP H H 90 7.360 7.360 7.440 -0.080 18089
434 1 . 1 1 91 91 GLU N N 91 121.410 121.410 120.559 0.851 18089
435 1 . 1 1 91 91 GLU HA H 91 4.350 4.350 4.213 0.137 18089
436 1 . 1 1 91 91 GLU CA C 91 56.490 56.490 56.243 0.247 18089
437 1 . 1 1 91 91 GLU CB C 91 30.470 30.470 30.107 0.363 18089
438 1 . 1 1 91 91 GLU H H 91 7.820 7.820 7.927 -0.107 18089
439 1 . 1 1 92 92 ASN N N 92 120.680 120.680 120.115 0.565 18089
440 1 . 1 1 92 92 ASN HA H 92 4.730 4.730 4.692 0.038 18089
441 1 . 1 1 92 92 ASN CA C 92 52.820 52.820 53.675 -0.855 18089
442 1 . 1 1 92 92 ASN CB C 92 39.010 39.010 38.858 0.152 18089
443 1 . 1 1 92 92 ASN H H 92 8.590 8.590 8.508 0.082 18089
stop_
save_