data_18318
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18318
_Entry.PDB_ID 2LQL
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 18318
_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 15 15 CYS N N 12 117.500 117.500 120.820 -3.320 18318
2 1 1 . 1 1 15 15 CYS C C 12 175.500 175.500 176.238 -0.738 18318
3 1 1 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.141 -4.441 18318
4 1 1 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.269 6.431 18318
5 1 1 . 1 1 15 15 CYS H H 12 8.280 8.280 9.211 -0.931 18318
6 1 1 . 1 1 16 16 GLY N N 13 108.700 108.700 110.666 -1.966 18318
7 1 1 . 1 1 16 16 GLY C C 13 176.600 176.600 175.843 0.757 18318
8 1 1 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.590 0.310 18318
9 1 1 . 1 1 16 16 GLY H H 13 8.080 8.080 8.915 -0.835 18318
10 1 1 . 1 1 17 17 ARG N N 14 123.300 123.300 120.880 2.420 18318
11 1 1 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.211 -0.251 18318
12 1 1 . 1 1 17 17 ARG C C 14 179.300 179.300 177.610 1.690 18318
13 1 1 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.117 1.083 18318
14 1 1 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.447 0.653 18318
15 1 1 . 1 1 17 17 ARG H H 14 8.630 8.630 8.529 0.101 18318
16 1 1 . 1 1 18 18 GLU N N 15 121.900 121.900 119.158 2.742 18318
17 1 1 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.328 -0.158 18318
18 1 1 . 1 1 18 18 GLU C C 15 177.900 177.900 178.294 -0.394 18318
19 1 1 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.805 2.295 18318
20 1 1 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.827 -1.627 18318
21 1 1 . 1 1 18 18 GLU H H 15 9.670 9.670 7.590 2.080 18318
22 1 1 . 1 1 19 19 LEU N N 16 119.400 119.400 120.486 -1.086 18318
23 1 1 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.496 2.404 18318
24 1 1 . 1 1 19 19 LEU H H 16 8.090 8.090 8.061 0.029 18318
25 1 1 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.964 -0.284 18318
26 1 1 . 1 1 20 20 GLU C C 17 177.200 177.200 179.176 -1.976 18318
27 1 1 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.366 -0.066 18318
28 1 1 . 1 1 20 20 GLU CB C 17 29.000 29.000 28.817 0.183 18318
29 1 1 . 1 1 21 21 GLN N N 18 118.500 118.500 118.938 -0.438 18318
30 1 1 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.092 -0.052 18318
31 1 1 . 1 1 21 21 GLN C C 18 177.200 177.200 178.197 -0.997 18318
32 1 1 . 1 1 21 21 GLN CA C 18 59.000 59.000 59.530 -0.530 18318
33 1 1 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.939 -0.239 18318
34 1 1 . 1 1 21 21 GLN H H 18 8.560 8.560 7.800 0.760 18318
35 1 1 . 1 1 22 22 TYR N N 19 120.700 120.700 121.240 -0.540 18318
36 1 1 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.654 -0.374 18318
37 1 1 . 1 1 22 22 TYR C C 19 176.600 176.600 178.132 -1.532 18318
38 1 1 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.109 0.991 18318
39 1 1 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.279 0.622 18318
40 1 1 . 1 1 22 22 TYR H H 19 8.120 8.120 7.989 0.131 18318
41 1 1 . 1 1 23 23 GLY N N 20 105.600 105.600 104.606 0.994 18318
42 1 1 . 1 1 23 23 GLY C C 20 176.700 176.700 176.597 0.103 18318
43 1 1 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.032 0.068 18318
44 1 1 . 1 1 23 23 GLY H H 20 8.390 8.390 8.755 -0.365 18318
45 1 1 . 1 1 24 24 GLN N N 21 120.300 120.300 121.151 -0.851 18318
46 1 1 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.320 -0.270 18318
47 1 1 . 1 1 24 24 GLN C C 21 178.000 178.000 178.353 -0.353 18318
48 1 1 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.868 -0.268 18318
49 1 1 . 1 1 24 24 GLN CB C 21 27.600 27.600 29.013 -1.413 18318
50 1 1 . 1 1 24 24 GLN H H 21 8.130 8.130 7.591 0.539 18318
51 1 1 . 1 1 25 25 CYS N N 22 121.500 121.500 119.112 2.388 18318
52 1 1 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.694 -0.414 18318
53 1 1 . 1 1 25 25 CYS C C 22 175.400 175.400 177.757 -2.357 18318
54 1 1 . 1 1 25 25 CYS CA C 22 60.600 60.600 61.986 -1.386 18318
55 1 1 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.443 13.457 18318
56 1 1 . 1 1 25 25 CYS H H 22 7.610 7.610 8.426 -0.816 18318
57 1 1 . 1 1 26 26 VAL N N 23 119.900 119.900 119.636 0.264 18318
58 1 1 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.034 -0.244 18318
59 1 1 . 1 1 26 26 VAL C C 23 177.100 177.100 177.360 -0.260 18318
60 1 1 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.620 0.280 18318
61 1 1 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.170 -1.870 18318
62 1 1 . 1 1 26 26 VAL H H 23 8.040 8.040 8.340 -0.300 18318
63 1 1 . 1 1 27 27 ALA N N 24 117.400 117.400 121.789 -4.389 18318
64 1 1 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.078 0.022 18318
65 1 1 . 1 1 27 27 ALA C C 24 178.600 178.600 179.382 -0.782 18318
66 1 1 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.599 -0.499 18318
67 1 1 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.734 -0.834 18318
68 1 1 . 1 1 27 27 ALA H H 24 7.430 7.430 7.427 0.003 18318
69 1 1 . 1 1 28 28 ALA N N 25 116.100 116.100 120.924 -4.824 18318
70 1 1 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.118 0.212 18318
71 1 1 . 1 1 28 28 ALA C C 25 178.100 178.100 177.883 0.217 18318
72 1 1 . 1 1 28 28 ALA CA C 25 52.600 52.600 54.008 -1.408 18318
73 1 1 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.422 -0.322 18318
74 1 1 . 1 1 28 28 ALA H H 25 7.120 7.120 7.682 -0.562 18318
75 1 1 . 1 1 29 29 LYS N N 26 119.200 119.200 113.139 6.061 18318
76 1 1 . 1 1 29 29 LYS CA C 26 58.700 58.700 52.989 5.711 18318
77 1 1 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.085 -0.985 18318
78 1 1 . 1 1 29 29 LYS H H 26 7.560 7.560 7.397 0.163 18318
79 1 1 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.271 -0.061 18318
80 1 1 . 1 1 30 30 PRO C C 27 177.000 177.000 178.971 -1.971 18318
81 1 1 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.515 0.385 18318
82 1 1 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.213 -0.613 18318
83 1 1 . 1 1 31 31 GLU N N 28 114.600 114.600 118.829 -4.229 18318
84 1 1 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.328 0.122 18318
85 1 1 . 1 1 31 31 GLU C C 28 176.100 176.100 178.456 -2.356 18318
86 1 1 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.290 -1.090 18318
87 1 1 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.351 0.249 18318
88 1 1 . 1 1 31 31 GLU H H 28 8.770 8.770 8.696 0.074 18318
89 1 1 . 1 1 32 32 SER N N 29 111.000 111.000 115.487 -4.487 18318
90 1 1 . 1 1 32 32 SER HA H 29 4.510 4.510 4.230 0.280 18318
91 1 1 . 1 1 32 32 SER C C 29 176.600 176.600 176.081 0.519 18318
92 1 1 . 1 1 32 32 SER CA C 29 58.500 58.500 60.703 -2.203 18318
93 1 1 . 1 1 32 32 SER CB C 29 63.800 63.800 62.510 1.290 18318
94 1 1 . 1 1 32 32 SER H H 29 7.750 7.750 8.374 -0.624 18318
95 1 1 . 1 1 33 33 TRP N N 30 125.000 125.000 123.640 1.360 18318
96 1 1 . 1 1 33 33 TRP C C 30 177.200 177.200 177.748 -0.548 18318
97 1 1 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.659 -0.659 18318
98 1 1 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.960 0.540 18318
99 1 1 . 1 1 33 33 TRP H H 30 7.820 7.820 7.573 0.247 18318
100 1 1 . 1 1 34 34 GLN N N 31 123.600 123.600 116.874 6.726 18318
101 1 1 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.733 0.717 18318
102 1 1 . 1 1 34 34 GLN C C 31 176.800 176.800 177.706 -0.906 18318
103 1 1 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.587 2.313 18318
104 1 1 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.874 -2.374 18318
105 1 1 . 1 1 34 34 GLN H H 31 8.240 8.240 7.485 0.755 18318
106 1 1 . 1 1 35 35 ARG N N 32 115.900 115.900 119.968 -4.068 18318
107 1 1 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.015 0.265 18318
108 1 1 . 1 1 35 35 ARG C C 32 178.900 178.900 178.392 0.508 18318
109 1 1 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.020 -1.620 18318
110 1 1 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.057 1.243 18318
111 1 1 . 1 1 35 35 ARG H H 32 7.450 7.450 7.532 -0.082 18318
112 1 1 . 1 1 36 36 ASP N N 33 117.700 117.700 119.370 -1.670 18318
113 1 1 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.501 -0.361 18318
114 1 1 . 1 1 36 36 ASP C C 33 177.600 177.600 177.124 0.476 18318
115 1 1 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.744 0.456 18318
116 1 1 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.035 -0.135 18318
117 1 1 . 1 1 36 36 ASP H H 33 8.760 8.760 8.468 0.292 18318
118 1 1 . 1 1 37 37 CYS N N 34 113.300 113.300 116.702 -3.402 18318
119 1 1 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.640 0.760 18318
120 1 1 . 1 1 37 37 CYS C C 34 175.800 175.800 174.979 0.821 18318
121 1 1 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.342 -3.242 18318
122 1 1 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.916 13.584 18318
123 1 1 . 1 1 37 37 CYS H H 34 8.260 8.260 7.616 0.644 18318
124 1 1 . 1 1 38 38 HIS N N 35 124.200 124.200 123.973 0.227 18318
125 1 1 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.289 0.061 18318
126 1 1 . 1 1 38 38 HIS C C 35 177.400 177.400 175.799 1.601 18318
127 1 1 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.682 2.318 18318
128 1 1 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.504 1.096 18318
129 1 1 . 1 1 38 38 HIS H H 35 7.520 7.520 7.992 -0.472 18318
130 1 1 . 1 1 39 39 TYR N N 36 117.100 117.100 120.342 -3.242 18318
131 1 1 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.248 0.052 18318
132 1 1 . 1 1 39 39 TYR C C 36 177.700 177.700 177.496 0.204 18318
133 1 1 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.191 -0.591 18318
134 1 1 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.210 -2.010 18318
135 1 1 . 1 1 39 39 TYR H H 36 8.930 8.930 7.512 1.418 18318
136 1 1 . 1 1 40 40 LEU N N 37 122.000 122.000 117.868 4.132 18318
137 1 1 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.006 0.164 18318
138 1 1 . 1 1 40 40 LEU C C 37 179.400 179.400 178.772 0.628 18318
139 1 1 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.301 -0.801 18318
140 1 1 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.146 1.254 18318
141 1 1 . 1 1 40 40 LEU H H 37 6.940 6.940 8.078 -1.138 18318
142 1 1 . 1 1 41 41 LYS N N 38 125.300 125.300 119.887 5.413 18318
143 1 1 . 1 1 41 41 LYS C C 38 179.600 179.600 178.049 1.551 18318
144 1 1 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.008 0.592 18318
145 1 1 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.276 -0.276 18318
146 1 1 . 1 1 41 41 LYS H H 38 7.880 7.880 7.783 0.097 18318
147 1 1 . 1 1 42 42 MET N N 39 117.600 117.600 118.251 -0.651 18318
148 1 1 . 1 1 42 42 MET HA H 39 4.120 4.120 4.347 -0.227 18318
149 1 1 . 1 1 42 42 MET C C 39 178.900 178.900 178.479 0.421 18318
150 1 1 . 1 1 42 42 MET CA C 39 57.200 57.200 58.051 -0.851 18318
151 1 1 . 1 1 42 42 MET CB C 39 30.000 30.000 32.184 -2.184 18318
152 1 1 . 1 1 42 42 MET H H 39 8.090 8.090 7.751 0.339 18318
153 1 1 . 1 1 43 43 SER N N 40 115.900 115.900 116.514 -0.614 18318
154 1 1 . 1 1 43 43 SER HA H 40 4.290 4.290 4.374 -0.084 18318
155 1 1 . 1 1 43 43 SER C C 40 177.400 177.400 176.913 0.487 18318
156 1 1 . 1 1 43 43 SER CA C 40 61.700 61.700 61.622 0.078 18318
157 1 1 . 1 1 43 43 SER CB C 40 62.500 62.500 63.490 -0.990 18318
158 1 1 . 1 1 43 43 SER H H 40 7.600 7.600 7.574 0.026 18318
159 1 1 . 1 1 44 44 ILE N N 41 121.900 121.900 118.317 3.583 18318
160 1 1 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.014 -0.474 18318
161 1 1 . 1 1 44 44 ILE C C 41 177.500 177.500 177.386 0.114 18318
162 1 1 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.510 1.590 18318
163 1 1 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.706 0.194 18318
164 1 1 . 1 1 44 44 ILE H H 41 7.540 7.540 8.459 -0.919 18318
165 1 1 . 1 1 45 45 ALA N N 42 122.600 122.600 122.465 0.135 18318
166 1 1 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.138 0.042 18318
167 1 1 . 1 1 45 45 ALA C C 42 180.200 180.200 179.866 0.334 18318
168 1 1 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.935 -0.135 18318
169 1 1 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.571 -1.271 18318
170 1 1 . 1 1 45 45 ALA H H 42 7.420 7.420 8.086 -0.666 18318
171 1 1 . 1 1 46 46 GLN N N 43 118.400 118.400 117.287 1.113 18318
172 1 1 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.208 -0.238 18318
173 1 1 . 1 1 46 46 GLN C C 43 178.500 178.500 177.950 0.550 18318
174 1 1 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.449 0.251 18318
175 1 1 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.659 -0.859 18318
176 1 1 . 1 1 46 46 GLN H H 43 8.290 8.290 7.704 0.586 18318
177 1 1 . 1 1 47 47 CYS N N 44 119.500 119.500 120.186 -0.686 18318
178 1 1 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.172 -0.082 18318
179 1 1 . 1 1 47 47 CYS C C 44 176.500 176.500 176.862 -0.362 18318
180 1 1 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.924 -2.624 18318
181 1 1 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.080 13.820 18318
182 1 1 . 1 1 47 47 CYS H H 44 7.590 7.590 7.927 -0.337 18318
183 1 1 . 1 1 48 48 THR N N 45 113.000 113.000 113.353 -0.353 18318
184 1 1 . 1 1 48 48 THR C C 45 175.900 175.900 176.012 -0.112 18318
185 1 1 . 1 1 48 48 THR CA C 45 65.400 65.400 64.709 0.691 18318
186 1 1 . 1 1 48 48 THR CB C 45 68.800 68.800 68.526 0.274 18318
187 1 1 . 1 1 48 48 THR H H 45 8.810 8.810 7.979 0.831 18318
188 1 1 . 1 1 49 49 SER N N 46 113.200 113.200 115.555 -2.355 18318
189 1 1 . 1 1 49 49 SER HA H 46 4.380 4.380 4.362 0.018 18318
190 1 1 . 1 1 49 49 SER C C 46 175.600 175.600 175.177 0.423 18318
191 1 1 . 1 1 49 49 SER CA C 46 60.000 60.000 60.662 -0.662 18318
192 1 1 . 1 1 49 49 SER CB C 46 63.900 63.900 63.840 0.060 18318
193 1 1 . 1 1 49 49 SER H H 46 7.890 7.890 7.743 0.147 18318
194 1 1 . 1 1 50 50 SER N N 47 114.100 114.100 114.515 -0.415 18318
195 1 1 . 1 1 50 50 SER HA H 47 4.390 4.390 4.560 -0.170 18318
196 1 1 . 1 1 50 50 SER CA C 47 59.100 59.100 59.253 -0.153 18318
197 1 1 . 1 1 50 50 SER CB C 47 64.800 64.800 64.287 0.513 18318
198 1 1 . 1 1 50 50 SER H H 47 7.770 7.770 8.177 -0.407 18318
199 1 1 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.036 0.554 18318
200 1 1 . 1 1 55 55 ARG C C 52 178.500 178.500 178.274 0.226 18318
201 1 1 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.731 1.269 18318
202 1 1 . 1 1 56 56 GLN N N 53 117.700 117.700 118.618 -0.918 18318
203 1 1 . 1 1 56 56 GLN C C 53 175.000 175.000 178.224 -3.224 18318
204 1 1 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.654 0.546 18318
205 1 1 . 1 1 56 56 GLN H H 53 8.110 8.110 8.807 -0.697 18318
206 1 1 . 1 1 57 57 ILE N N 54 121.200 121.200 117.040 4.160 18318
207 1 1 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.789 -0.469 18318
208 1 1 . 1 1 57 57 ILE C C 54 178.700 178.700 177.735 0.965 18318
209 1 1 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.937 2.063 18318
210 1 1 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.761 -0.061 18318
211 1 1 . 1 1 57 57 ILE H H 54 7.820 7.820 7.449 0.371 18318
212 1 1 . 1 1 58 58 ARG N N 55 118.900 118.900 119.411 -0.511 18318
213 1 1 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.999 0.311 18318
214 1 1 . 1 1 58 58 ARG C C 55 178.600 178.600 178.404 0.196 18318
215 1 1 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.738 1.162 18318
216 1 1 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.916 1.584 18318
217 1 1 . 1 1 58 58 ARG H H 55 8.250 8.250 7.278 0.972 18318
218 1 1 . 1 1 59 59 GLN N N 56 115.800 115.800 118.442 -2.642 18318
219 1 1 . 1 1 59 59 GLN C C 56 178.100 178.100 176.884 1.216 18318
220 1 1 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.269 -0.269 18318
221 1 1 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.813 -0.013 18318
222 1 1 . 1 1 59 59 GLN H H 56 7.920 7.920 8.192 -0.272 18318
223 1 1 . 1 1 60 60 ALA N N 57 121.600 121.600 119.312 2.288 18318
224 1 1 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.300 -0.120 18318
225 1 1 . 1 1 60 60 ALA C C 57 179.600 179.600 178.700 0.900 18318
226 1 1 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.349 1.151 18318
227 1 1 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.338 -0.438 18318
228 1 1 . 1 1 60 60 ALA H H 57 8.490 8.490 7.654 0.836 18318
229 1 1 . 1 1 61 61 CYS N N 58 114.000 114.000 118.065 -4.065 18318
230 1 1 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.412 0.718 18318
231 1 1 . 1 1 61 61 CYS C C 58 175.000 175.000 174.198 0.802 18318
232 1 1 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.980 -7.280 18318
233 1 1 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.694 15.106 18318
234 1 1 . 1 1 61 61 CYS H H 58 8.370 8.370 7.644 0.726 18318
235 1 1 . 1 1 62 62 ALA N N 59 124.900 124.900 127.366 -2.466 18318
236 1 1 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.446 -0.176 18318
237 1 1 . 1 1 62 62 ALA C C 59 179.200 179.200 178.712 0.488 18318
238 1 1 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.255 3.245 18318
239 1 1 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.921 -1.121 18318
240 1 1 . 1 1 62 62 ALA H H 59 7.200 7.200 7.958 -0.758 18318
241 1 1 . 1 1 63 63 GLN N N 60 115.800 115.800 119.753 -3.953 18318
242 1 1 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.011 0.469 18318
243 1 1 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.037 0.163 18318
244 1 1 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.971 -2.271 18318
245 1 1 . 1 1 63 63 GLN H H 60 9.040 9.040 8.800 0.240 18318
246 1 1 . 1 1 64 64 PRO C C 61 179.700 179.700 177.692 2.008 18318
247 1 1 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.296 0.304 18318
248 1 1 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.150 -0.350 18318
249 1 1 . 1 1 65 65 PHE N N 62 120.500 120.500 118.095 2.405 18318
250 1 1 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.296 -0.016 18318
251 1 1 . 1 1 65 65 PHE C C 62 176.400 176.400 176.670 -0.270 18318
252 1 1 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.109 3.291 18318
253 1 1 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.852 -0.252 18318
254 1 1 . 1 1 65 65 PHE H H 62 8.500 8.500 8.171 0.329 18318
255 1 1 . 1 1 66 66 GLU N N 63 120.200 120.200 120.863 -0.663 18318
256 1 1 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.498 0.532 18318
257 1 1 . 1 1 66 66 GLU C C 63 179.300 179.300 178.005 1.295 18318
258 1 1 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.597 -0.397 18318
259 1 1 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.420 -0.920 18318
260 1 1 . 1 1 66 66 GLU H H 63 8.900 8.900 8.289 0.611 18318
261 1 1 . 1 1 67 67 ALA N N 64 120.600 120.600 121.768 -1.168 18318
262 1 1 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.946 -0.076 18318
263 1 1 . 1 1 67 67 ALA C C 64 180.500 180.500 179.983 0.517 18318
264 1 1 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.804 -0.104 18318
265 1 1 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.104 -0.004 18318
266 1 1 . 1 1 67 67 ALA H H 64 8.150 8.150 7.262 0.888 18318
267 1 1 . 1 1 68 68 PHE N N 65 120.000 120.000 116.824 3.176 18318
268 1 1 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.286 0.034 18318
269 1 1 . 1 1 68 68 PHE C C 65 175.400 175.400 177.767 -2.367 18318
270 1 1 . 1 1 68 68 PHE CA C 65 59.800 59.800 58.698 1.102 18318
271 1 1 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.952 0.048 18318
272 1 1 . 1 1 68 68 PHE H H 65 7.810 7.810 7.177 0.633 18318
273 1 1 . 1 1 69 69 GLU N N 66 119.400 119.400 119.863 -0.463 18318
274 1 1 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.887 0.283 18318
275 1 1 . 1 1 69 69 GLU C C 66 178.800 178.800 178.784 0.016 18318
276 1 1 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.126 1.074 18318
277 1 1 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.665 0.435 18318
278 1 1 . 1 1 69 69 GLU H H 66 8.330 8.330 8.351 -0.021 18318
279 1 1 . 1 1 70 70 GLU N N 67 118.600 118.600 118.821 -0.221 18318
280 1 1 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.081 -0.111 18318
281 1 1 . 1 1 70 70 GLU C C 67 177.700 177.700 178.588 -0.888 18318
282 1 1 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.950 -0.150 18318
283 1 1 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.769 -1.069 18318
284 1 1 . 1 1 70 70 GLU H H 67 8.240 8.240 8.400 -0.160 18318
285 1 1 . 1 1 71 71 CYS N N 68 119.100 119.100 118.836 0.264 18318
286 1 1 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.187 -0.107 18318
287 1 1 . 1 1 71 71 CYS C C 68 177.900 177.900 177.521 0.379 18318
288 1 1 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.363 -2.763 18318
289 1 1 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.445 12.555 18318
290 1 1 . 1 1 71 71 CYS H H 68 7.580 7.580 7.792 -0.212 18318
291 1 1 . 1 1 72 72 LEU N N 69 122.000 122.000 118.948 3.052 18318
292 1 1 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.256 -0.556 18318
293 1 1 . 1 1 72 72 LEU C C 69 179.300 179.300 178.901 0.399 18318
294 1 1 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.317 0.283 18318
295 1 1 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.557 -0.557 18318
296 1 1 . 1 1 72 72 LEU H H 69 8.090 8.090 7.744 0.346 18318
297 1 1 . 1 1 73 73 ARG N N 70 117.400 117.400 119.218 -1.818 18318
298 1 1 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.933 0.077 18318
299 1 1 . 1 1 73 73 ARG C C 70 178.500 178.500 178.215 0.285 18318
300 1 1 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.960 -0.260 18318
301 1 1 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.111 -0.011 18318
302 1 1 . 1 1 73 73 ARG H H 70 7.600 7.600 7.726 -0.126 18318
303 1 1 . 1 1 74 74 GLN N N 71 115.800 115.800 115.001 0.799 18318
304 1 1 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.445 -0.155 18318
305 1 1 . 1 1 74 74 GLN C C 71 176.200 176.200 175.277 0.923 18318
306 1 1 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.105 0.295 18318
307 1 1 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.473 -1.273 18318
308 1 1 . 1 1 74 74 GLN H H 71 7.580 7.580 7.661 -0.081 18318
309 1 1 . 1 1 75 75 ASN N N 72 118.600 118.600 118.138 0.462 18318
310 1 1 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.934 0.056 18318
311 1 1 . 1 1 75 75 ASN C C 72 174.800 174.800 174.237 0.563 18318
312 1 1 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.959 0.041 18318
313 1 1 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.579 1.221 18318
314 1 1 . 1 1 75 75 ASN H H 72 7.750 7.750 7.775 -0.025 18318
315 1 1 . 1 1 76 76 GLU N N 73 120.200 120.200 119.657 0.543 18318
316 1 1 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.000 -0.040 18318
317 1 1 . 1 1 76 76 GLU C C 73 176.800 176.800 177.757 -0.957 18318
318 1 1 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.721 0.479 18318
319 1 1 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.184 -0.084 18318
320 1 1 . 1 1 76 76 GLU H H 73 7.950 7.950 8.013 -0.063 18318
321 1 1 . 1 1 77 77 ALA N N 74 119.200 119.200 121.341 -2.141 18318
322 1 1 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.426 -0.066 18318
323 1 1 . 1 1 77 77 ALA C C 74 175.400 175.400 177.777 -2.377 18318
324 1 1 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.576 -0.476 18318
325 1 1 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.397 -0.197 18318
326 1 1 . 1 1 77 77 ALA H H 74 8.320 8.320 8.232 0.088 18318
327 1 1 . 1 1 78 78 ALA N N 75 124.400 124.400 121.105 3.295 18318
328 1 1 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.447 -0.067 18318
329 1 1 . 1 1 78 78 ALA C C 75 177.200 177.200 178.201 -1.001 18318
330 1 1 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.767 -0.367 18318
331 1 1 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.100 -0.100 18318
332 1 1 . 1 1 78 78 ALA H H 75 7.900 7.900 7.310 0.590 18318
333 1 1 . 1 1 79 79 VAL N N 76 118.400 118.400 118.860 -0.460 18318
334 1 1 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.935 -0.145 18318
335 1 1 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.121 -0.021 18318
336 1 1 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.208 0.092 18318
337 1 1 . 1 1 79 79 VAL H H 76 8.100 8.100 7.821 0.279 18318
338 1 1 . 1 1 80 80 GLY C C 77 175.900 175.900 175.477 0.423 18318
339 1 1 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.707 -0.307 18318
340 1 1 . 1 1 81 81 ASN N N 78 119.300 119.300 118.603 0.697 18318
341 1 1 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.797 -0.197 18318
342 1 1 . 1 1 81 81 ASN C C 78 176.700 176.700 175.080 1.620 18318
343 1 1 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.890 -0.390 18318
344 1 1 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.154 -2.854 18318
345 1 1 . 1 1 81 81 ASN H H 78 8.200 8.200 7.922 0.278 18318
346 1 1 . 1 1 82 82 CYS N N 79 117.200 117.200 116.171 1.029 18318
347 1 1 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.846 0.554 18318
348 1 1 . 1 1 82 82 CYS C C 79 175.800 175.800 173.037 2.763 18318
349 1 1 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.820 -2.320 18318
350 1 1 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.187 9.113 18318
351 1 1 . 1 1 82 82 CYS H H 79 8.330 8.330 7.667 0.663 18318
352 1 1 . 1 1 83 83 ALA N N 80 125.000 125.000 124.752 0.248 18318
353 1 1 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.699 -0.549 18318
354 1 1 . 1 1 83 83 ALA C C 80 179.900 179.900 177.378 2.522 18318
355 1 1 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.525 5.675 18318
356 1 1 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.479 -1.279 18318
357 1 1 . 1 1 83 83 ALA H H 80 7.700 7.700 8.502 -0.802 18318
358 1 1 . 1 1 84 84 GLU N N 81 118.900 118.900 126.576 -7.676 18318
359 1 1 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.808 0.142 18318
360 1 1 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.451 -0.451 18318
361 1 1 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.204 -0.304 18318
362 1 1 . 1 1 84 84 GLU H H 81 8.920 8.920 8.937 -0.017 18318
363 1 1 . 1 1 85 85 HIS C C 82 178.500 178.500 177.321 1.179 18318
364 1 1 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.783 -3.683 18318
365 1 1 . 1 1 86 86 MET N N 83 118.800 118.800 117.941 0.859 18318
366 1 1 . 1 1 86 86 MET C C 83 177.200 177.200 178.793 -1.593 18318
367 1 1 . 1 1 86 86 MET CA C 83 58.900 58.900 58.608 0.292 18318
368 1 1 . 1 1 86 86 MET CB C 83 31.300 31.300 32.351 -1.051 18318
369 1 1 . 1 1 86 86 MET H H 83 7.460 7.460 8.383 -0.923 18318
370 1 1 . 1 1 87 87 ARG N N 84 119.500 119.500 119.216 0.284 18318
371 1 1 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.941 -0.031 18318
372 1 1 . 1 1 87 87 ARG C C 84 178.600 178.600 178.045 0.555 18318
373 1 1 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.763 1.137 18318
374 1 1 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.090 0.410 18318
375 1 1 . 1 1 87 87 ARG H H 84 8.220 8.220 8.292 -0.072 18318
376 1 1 . 1 1 88 88 ARG N N 85 117.900 117.900 119.525 -1.625 18318
377 1 1 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.298 -0.378 18318
378 1 1 . 1 1 88 88 ARG C C 85 179.700 179.700 178.434 1.266 18318
379 1 1 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.677 -0.177 18318
380 1 1 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.202 -0.202 18318
381 1 1 . 1 1 88 88 ARG H H 85 8.100 8.100 8.098 0.002 18318
382 1 1 . 1 1 89 89 PHE N N 86 119.700 119.700 119.981 -0.281 18318
383 1 1 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.246 0.104 18318
384 1 1 . 1 1 89 89 PHE C C 86 175.600 175.600 177.122 -1.522 18318
385 1 1 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.630 -0.530 18318
386 1 1 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.165 -1.365 18318
387 1 1 . 1 1 89 89 PHE H H 86 7.930 7.930 8.317 -0.387 18318
388 1 1 . 1 1 90 90 LEU N N 87 120.400 120.400 118.606 1.794 18318
389 1 1 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.014 -0.304 18318
390 1 1 . 1 1 90 90 LEU C C 87 179.200 179.200 178.713 0.487 18318
391 1 1 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.114 0.586 18318
392 1 1 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.968 -1.668 18318
393 1 1 . 1 1 90 90 LEU H H 87 8.640 8.640 7.532 1.108 18318
394 1 1 . 1 1 91 91 GLN N N 88 118.200 118.200 119.492 -1.292 18318
395 1 1 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.205 -0.165 18318
396 1 1 . 1 1 91 91 GLN C C 88 178.000 178.000 178.526 -0.526 18318
397 1 1 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.671 0.029 18318
398 1 1 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.550 -0.550 18318
399 1 1 . 1 1 91 91 GLN H H 88 8.380 8.380 8.180 0.200 18318
400 1 1 . 1 1 92 92 CYS N N 89 119.000 119.000 118.139 0.861 18318
401 1 1 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.387 -0.337 18318
402 1 1 . 1 1 92 92 CYS C C 89 176.600 176.600 177.283 -0.683 18318
403 1 1 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.781 -1.681 18318
404 1 1 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.869 13.631 18318
405 1 1 . 1 1 92 92 CYS H H 89 7.390 7.390 8.462 -1.072 18318
406 1 1 . 1 1 93 93 ALA N N 90 122.900 122.900 122.163 0.737 18318
407 1 1 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.337 -0.427 18318
408 1 1 . 1 1 93 93 ALA C C 90 179.200 179.200 178.854 0.346 18318
409 1 1 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.476 0.224 18318
410 1 1 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.353 -0.553 18318
411 1 1 . 1 1 93 93 ALA H H 90 8.410 8.410 7.660 0.750 18318
412 1 1 . 1 1 94 94 GLU N N 91 115.800 115.800 119.200 -3.400 18318
413 1 1 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.072 0.078 18318
414 1 1 . 1 1 94 94 GLU C C 91 177.400 177.400 179.105 -1.705 18318
415 1 1 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.197 -0.297 18318
416 1 1 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.575 -0.174 18318
417 1 1 . 1 1 94 94 GLU H H 91 7.880 7.880 7.827 0.053 18318
418 1 1 . 1 1 95 95 GLN N N 92 115.500 115.500 117.971 -2.471 18318
419 1 1 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.151 0.139 18318
420 1 1 . 1 1 95 95 GLN C C 92 176.600 176.600 176.482 0.118 18318
421 1 1 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.863 -1.563 18318
422 1 1 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.599 -0.699 18318
423 1 1 . 1 1 95 95 GLN H H 92 7.450 7.450 7.754 -0.304 18318
424 1 2 . 1 1 15 15 CYS N N 12 117.500 117.500 121.673 -4.173 18318
425 1 2 . 1 1 15 15 CYS C C 12 175.500 175.500 176.328 -0.828 18318
426 1 2 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.531 -4.831 18318
427 1 2 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.371 6.329 18318
428 1 2 . 1 1 15 15 CYS H H 12 8.280 8.280 9.003 -0.723 18318
429 1 2 . 1 1 16 16 GLY N N 13 108.700 108.700 110.757 -2.057 18318
430 1 2 . 1 1 16 16 GLY C C 13 176.600 176.600 175.587 1.013 18318
431 1 2 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.083 0.817 18318
432 1 2 . 1 1 16 16 GLY H H 13 8.080 8.080 8.930 -0.850 18318
433 1 2 . 1 1 17 17 ARG N N 14 123.300 123.300 121.696 1.604 18318
434 1 2 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.058 -0.098 18318
435 1 2 . 1 1 17 17 ARG C C 14 179.300 179.300 177.875 1.425 18318
436 1 2 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.465 0.735 18318
437 1 2 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.687 0.413 18318
438 1 2 . 1 1 17 17 ARG H H 14 8.630 8.630 8.574 0.056 18318
439 1 2 . 1 1 18 18 GLU N N 15 121.900 121.900 120.575 1.325 18318
440 1 2 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.206 -0.036 18318
441 1 2 . 1 1 18 18 GLU C C 15 177.900 177.900 177.942 -0.042 18318
442 1 2 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.457 1.643 18318
443 1 2 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.198 -0.998 18318
444 1 2 . 1 1 18 18 GLU H H 15 9.670 9.670 8.348 1.322 18318
445 1 2 . 1 1 19 19 LEU N N 16 119.400 119.400 120.166 -0.766 18318
446 1 2 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.025 2.875 18318
447 1 2 . 1 1 19 19 LEU H H 16 8.090 8.090 7.733 0.357 18318
448 1 2 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.123 -0.443 18318
449 1 2 . 1 1 20 20 GLU C C 17 177.200 177.200 179.339 -2.139 18318
450 1 2 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.681 -0.381 18318
451 1 2 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.811 -0.811 18318
452 1 2 . 1 1 21 21 GLN N N 18 118.500 118.500 118.793 -0.293 18318
453 1 2 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.148 -0.108 18318
454 1 2 . 1 1 21 21 GLN C C 18 177.200 177.200 178.267 -1.067 18318
455 1 2 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.560 0.440 18318
456 1 2 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.213 -0.513 18318
457 1 2 . 1 1 21 21 GLN H H 18 8.560 8.560 8.539 0.021 18318
458 1 2 . 1 1 22 22 TYR N N 19 120.700 120.700 120.040 0.660 18318
459 1 2 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.709 -0.429 18318
460 1 2 . 1 1 22 22 TYR C C 19 176.600 176.600 177.708 -1.108 18318
461 1 2 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.017 2.083 18318
462 1 2 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.227 0.673 18318
463 1 2 . 1 1 22 22 TYR H H 19 8.120 8.120 7.805 0.315 18318
464 1 2 . 1 1 23 23 GLY N N 20 105.600 105.600 105.442 0.158 18318
465 1 2 . 1 1 23 23 GLY C C 20 176.700 176.700 175.885 0.815 18318
466 1 2 . 1 1 23 23 GLY CA C 20 47.100 47.100 45.883 1.216 18318
467 1 2 . 1 1 23 23 GLY H H 20 8.390 8.390 8.483 -0.093 18318
468 1 2 . 1 1 24 24 GLN N N 21 120.300 120.300 121.913 -1.613 18318
469 1 2 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.254 -0.204 18318
470 1 2 . 1 1 24 24 GLN C C 21 178.000 178.000 178.157 -0.157 18318
471 1 2 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.228 0.372 18318
472 1 2 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.900 -1.300 18318
473 1 2 . 1 1 24 24 GLN H H 21 8.130 8.130 7.498 0.632 18318
474 1 2 . 1 1 25 25 CYS N N 22 121.500 121.500 115.869 5.631 18318
475 1 2 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.383 -0.103 18318
476 1 2 . 1 1 25 25 CYS C C 22 175.400 175.400 177.409 -2.009 18318
477 1 2 . 1 1 25 25 CYS CA C 22 60.600 60.600 60.543 0.057 18318
478 1 2 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.002 13.898 18318
479 1 2 . 1 1 25 25 CYS H H 22 7.610 7.610 7.751 -0.141 18318
480 1 2 . 1 1 26 26 VAL N N 23 119.900 119.900 121.766 -1.866 18318
481 1 2 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.082 -0.292 18318
482 1 2 . 1 1 26 26 VAL C C 23 177.100 177.100 177.441 -0.341 18318
483 1 2 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.836 1.064 18318
484 1 2 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.386 -2.086 18318
485 1 2 . 1 1 26 26 VAL H H 23 8.040 8.040 7.300 0.740 18318
486 1 2 . 1 1 27 27 ALA N N 24 117.400 117.400 121.158 -3.758 18318
487 1 2 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.029 0.071 18318
488 1 2 . 1 1 27 27 ALA C C 24 178.600 178.600 178.166 0.434 18318
489 1 2 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.307 -0.207 18318
490 1 2 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.607 -0.707 18318
491 1 2 . 1 1 27 27 ALA H H 24 7.430 7.430 7.501 -0.071 18318
492 1 2 . 1 1 28 28 ALA N N 25 116.100 116.100 120.318 -4.218 18318
493 1 2 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.244 0.086 18318
494 1 2 . 1 1 28 28 ALA C C 25 178.100 178.100 177.707 0.393 18318
495 1 2 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.231 -0.631 18318
496 1 2 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.061 -0.961 18318
497 1 2 . 1 1 28 28 ALA H H 25 7.120 7.120 7.738 -0.618 18318
498 1 2 . 1 1 29 29 LYS N N 26 119.200 119.200 115.403 3.797 18318
499 1 2 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.209 5.491 18318
500 1 2 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.759 -2.659 18318
501 1 2 . 1 1 29 29 LYS H H 26 7.560 7.560 7.478 0.082 18318
502 1 2 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.340 -0.130 18318
503 1 2 . 1 1 30 30 PRO C C 27 177.000 177.000 178.518 -1.518 18318
504 1 2 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.509 0.391 18318
505 1 2 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.083 -0.483 18318
506 1 2 . 1 1 31 31 GLU N N 28 114.600 114.600 118.300 -3.700 18318
507 1 2 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.295 0.155 18318
508 1 2 . 1 1 31 31 GLU C C 28 176.100 176.100 178.370 -2.270 18318
509 1 2 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.321 -1.121 18318
510 1 2 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.576 1.024 18318
511 1 2 . 1 1 31 31 GLU H H 28 8.770 8.770 8.778 -0.008 18318
512 1 2 . 1 1 32 32 SER N N 29 111.000 111.000 115.759 -4.759 18318
513 1 2 . 1 1 32 32 SER HA H 29 4.510 4.510 4.302 0.208 18318
514 1 2 . 1 1 32 32 SER C C 29 176.600 176.600 175.887 0.713 18318
515 1 2 . 1 1 32 32 SER CA C 29 58.500 58.500 59.961 -1.461 18318
516 1 2 . 1 1 32 32 SER CB C 29 63.800 63.800 62.747 1.053 18318
517 1 2 . 1 1 32 32 SER H H 29 7.750 7.750 8.275 -0.525 18318
518 1 2 . 1 1 33 33 TRP N N 30 125.000 125.000 124.155 0.845 18318
519 1 2 . 1 1 33 33 TRP C C 30 177.200 177.200 177.717 -0.517 18318
520 1 2 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.466 -0.466 18318
521 1 2 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.683 0.817 18318
522 1 2 . 1 1 33 33 TRP H H 30 7.820 7.820 7.771 0.049 18318
523 1 2 . 1 1 34 34 GLN N N 31 123.600 123.600 117.716 5.884 18318
524 1 2 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.983 0.467 18318
525 1 2 . 1 1 34 34 GLN C C 31 176.800 176.800 178.229 -1.429 18318
526 1 2 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.745 2.155 18318
527 1 2 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.507 -2.007 18318
528 1 2 . 1 1 34 34 GLN H H 31 8.240 8.240 7.748 0.492 18318
529 1 2 . 1 1 35 35 ARG N N 32 115.900 115.900 119.203 -3.303 18318
530 1 2 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.918 0.362 18318
531 1 2 . 1 1 35 35 ARG C C 32 178.900 178.900 178.288 0.612 18318
532 1 2 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.765 -1.365 18318
533 1 2 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.085 1.215 18318
534 1 2 . 1 1 35 35 ARG H H 32 7.450 7.450 7.464 -0.014 18318
535 1 2 . 1 1 36 36 ASP N N 33 117.700 117.700 118.599 -0.899 18318
536 1 2 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.645 -0.505 18318
537 1 2 . 1 1 36 36 ASP C C 33 177.600 177.600 177.148 0.452 18318
538 1 2 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.899 0.301 18318
539 1 2 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.708 -0.808 18318
540 1 2 . 1 1 36 36 ASP H H 33 8.760 8.760 8.333 0.427 18318
541 1 2 . 1 1 37 37 CYS N N 34 113.300 113.300 119.252 -5.952 18318
542 1 2 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.725 0.675 18318
543 1 2 . 1 1 37 37 CYS C C 34 175.800 175.800 174.930 0.870 18318
544 1 2 . 1 1 37 37 CYS CA C 34 53.100 53.100 59.090 -5.990 18318
545 1 2 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.484 14.016 18318
546 1 2 . 1 1 37 37 CYS H H 34 8.260 8.260 8.025 0.235 18318
547 1 2 . 1 1 38 38 HIS N N 35 124.200 124.200 124.737 -0.537 18318
548 1 2 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.544 -0.194 18318
549 1 2 . 1 1 38 38 HIS C C 35 177.400 177.400 176.724 0.676 18318
550 1 2 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.727 2.273 18318
551 1 2 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.151 -0.551 18318
552 1 2 . 1 1 38 38 HIS H H 35 7.520 7.520 7.997 -0.477 18318
553 1 2 . 1 1 39 39 TYR N N 36 117.100 117.100 118.128 -1.028 18318
554 1 2 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.325 -0.025 18318
555 1 2 . 1 1 39 39 TYR C C 36 177.700 177.700 177.335 0.365 18318
556 1 2 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.632 -0.032 18318
557 1 2 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.585 -2.385 18318
558 1 2 . 1 1 39 39 TYR H H 36 8.930 8.930 8.690 0.240 18318
559 1 2 . 1 1 40 40 LEU N N 37 122.000 122.000 118.640 3.360 18318
560 1 2 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.161 0.009 18318
561 1 2 . 1 1 40 40 LEU C C 37 179.400 179.400 178.662 0.738 18318
562 1 2 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.868 -1.368 18318
563 1 2 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.503 0.897 18318
564 1 2 . 1 1 40 40 LEU H H 37 6.940 6.940 8.275 -1.335 18318
565 1 2 . 1 1 41 41 LYS N N 38 125.300 125.300 119.227 6.073 18318
566 1 2 . 1 1 41 41 LYS C C 38 179.600 179.600 178.165 1.435 18318
567 1 2 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.549 0.051 18318
568 1 2 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.978 -0.978 18318
569 1 2 . 1 1 41 41 LYS H H 38 7.880 7.880 8.088 -0.208 18318
570 1 2 . 1 1 42 42 MET N N 39 117.600 117.600 117.398 0.202 18318
571 1 2 . 1 1 42 42 MET HA H 39 4.120 4.120 4.276 -0.156 18318
572 1 2 . 1 1 42 42 MET C C 39 178.900 178.900 178.281 0.619 18318
573 1 2 . 1 1 42 42 MET CA C 39 57.200 57.200 57.789 -0.589 18318
574 1 2 . 1 1 42 42 MET CB C 39 30.000 30.000 32.348 -2.348 18318
575 1 2 . 1 1 42 42 MET H H 39 8.090 8.090 7.575 0.515 18318
576 1 2 . 1 1 43 43 SER N N 40 115.900 115.900 116.681 -0.781 18318
577 1 2 . 1 1 43 43 SER HA H 40 4.290 4.290 4.323 -0.033 18318
578 1 2 . 1 1 43 43 SER C C 40 177.400 177.400 176.417 0.983 18318
579 1 2 . 1 1 43 43 SER CA C 40 61.700 61.700 61.794 -0.094 18318
580 1 2 . 1 1 43 43 SER CB C 40 62.500 62.500 63.395 -0.895 18318
581 1 2 . 1 1 43 43 SER H H 40 7.600 7.600 7.620 -0.020 18318
582 1 2 . 1 1 44 44 ILE N N 41 121.900 121.900 119.731 2.169 18318
583 1 2 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.865 -0.325 18318
584 1 2 . 1 1 44 44 ILE C C 41 177.500 177.500 177.342 0.158 18318
585 1 2 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.983 2.117 18318
586 1 2 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.314 0.586 18318
587 1 2 . 1 1 44 44 ILE H H 41 7.540 7.540 8.226 -0.686 18318
588 1 2 . 1 1 45 45 ALA N N 42 122.600 122.600 122.101 0.499 18318
589 1 2 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.972 0.208 18318
590 1 2 . 1 1 45 45 ALA C C 42 180.200 180.200 179.876 0.324 18318
591 1 2 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.122 -0.322 18318
592 1 2 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.152 -0.852 18318
593 1 2 . 1 1 45 45 ALA H H 42 7.420 7.420 7.837 -0.417 18318
594 1 2 . 1 1 46 46 GLN N N 43 118.400 118.400 117.181 1.219 18318
595 1 2 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.137 -0.167 18318
596 1 2 . 1 1 46 46 GLN C C 43 178.500 178.500 177.176 1.324 18318
597 1 2 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.361 0.339 18318
598 1 2 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.000 -1.200 18318
599 1 2 . 1 1 46 46 GLN H H 43 8.290 8.290 7.882 0.408 18318
600 1 2 . 1 1 47 47 CYS N N 44 119.500 119.500 117.730 1.770 18318
601 1 2 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.238 -0.148 18318
602 1 2 . 1 1 47 47 CYS C C 44 176.500 176.500 177.795 -1.295 18318
603 1 2 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.672 -1.371 18318
604 1 2 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.076 12.825 18318
605 1 2 . 1 1 47 47 CYS H H 44 7.590 7.590 7.712 -0.122 18318
606 1 2 . 1 1 48 48 THR N N 45 113.000 113.000 114.650 -1.650 18318
607 1 2 . 1 1 48 48 THR C C 45 175.900 175.900 175.759 0.141 18318
608 1 2 . 1 1 48 48 THR CA C 45 65.400 65.400 65.488 -0.088 18318
609 1 2 . 1 1 48 48 THR CB C 45 68.800 68.800 68.627 0.173 18318
610 1 2 . 1 1 48 48 THR H H 45 8.810 8.810 7.834 0.976 18318
611 1 2 . 1 1 49 49 SER N N 46 113.200 113.200 116.553 -3.353 18318
612 1 2 . 1 1 49 49 SER HA H 46 4.380 4.380 4.674 -0.294 18318
613 1 2 . 1 1 49 49 SER C C 46 175.600 175.600 174.271 1.329 18318
614 1 2 . 1 1 49 49 SER CA C 46 60.000 60.000 58.524 1.476 18318
615 1 2 . 1 1 49 49 SER CB C 46 63.900 63.900 62.667 1.233 18318
616 1 2 . 1 1 49 49 SER H H 46 7.890 7.890 7.503 0.387 18318
617 1 2 . 1 1 50 50 SER N N 47 114.100 114.100 116.512 -2.412 18318
618 1 2 . 1 1 50 50 SER HA H 47 4.390 4.390 4.189 0.201 18318
619 1 2 . 1 1 50 50 SER CA C 47 59.100 59.100 60.067 -0.967 18318
620 1 2 . 1 1 50 50 SER CB C 47 64.800 64.800 63.283 1.517 18318
621 1 2 . 1 1 50 50 SER H H 47 7.770 7.770 7.307 0.463 18318
622 1 2 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.084 0.506 18318
623 1 2 . 1 1 55 55 ARG C C 52 178.500 178.500 177.899 0.601 18318
624 1 2 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.663 1.337 18318
625 1 2 . 1 1 56 56 GLN N N 53 117.700 117.700 119.045 -1.345 18318
626 1 2 . 1 1 56 56 GLN C C 53 175.000 175.000 178.139 -3.139 18318
627 1 2 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.589 1.611 18318
628 1 2 . 1 1 56 56 GLN H H 53 8.110 8.110 8.618 -0.508 18318
629 1 2 . 1 1 57 57 ILE N N 54 121.200 121.200 119.921 1.279 18318
630 1 2 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.786 -0.466 18318
631 1 2 . 1 1 57 57 ILE C C 54 178.700 178.700 177.916 0.784 18318
632 1 2 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.901 2.099 18318
633 1 2 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.896 0.804 18318
634 1 2 . 1 1 57 57 ILE H H 54 7.820 7.820 7.902 -0.082 18318
635 1 2 . 1 1 58 58 ARG N N 55 118.900 118.900 118.482 0.418 18318
636 1 2 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.635 0.675 18318
637 1 2 . 1 1 58 58 ARG C C 55 178.600 178.600 177.871 0.729 18318
638 1 2 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.902 0.998 18318
639 1 2 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.185 2.315 18318
640 1 2 . 1 1 58 58 ARG H H 55 8.250 8.250 7.518 0.732 18318
641 1 2 . 1 1 59 59 GLN N N 56 115.800 115.800 118.115 -2.315 18318
642 1 2 . 1 1 59 59 GLN C C 56 178.100 178.100 176.972 1.128 18318
643 1 2 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.449 0.551 18318
644 1 2 . 1 1 59 59 GLN CB C 56 28.800 28.800 29.153 -0.353 18318
645 1 2 . 1 1 59 59 GLN H H 56 7.920 7.920 7.395 0.525 18318
646 1 2 . 1 1 60 60 ALA N N 57 121.600 121.600 120.724 0.876 18318
647 1 2 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.174 0.006 18318
648 1 2 . 1 1 60 60 ALA C C 57 179.600 179.600 178.560 1.040 18318
649 1 2 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.951 0.549 18318
650 1 2 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.347 -0.447 18318
651 1 2 . 1 1 60 60 ALA H H 57 8.490 8.490 7.749 0.741 18318
652 1 2 . 1 1 61 61 CYS N N 58 114.000 114.000 116.683 -2.683 18318
653 1 2 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.603 0.527 18318
654 1 2 . 1 1 61 61 CYS C C 58 175.000 175.000 174.251 0.749 18318
655 1 2 . 1 1 61 61 CYS CA C 58 52.700 52.700 58.872 -6.172 18318
656 1 2 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.417 14.383 18318
657 1 2 . 1 1 61 61 CYS H H 58 8.370 8.370 8.059 0.311 18318
658 1 2 . 1 1 62 62 ALA N N 59 124.900 124.900 128.229 -3.329 18318
659 1 2 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.351 -0.081 18318
660 1 2 . 1 1 62 62 ALA C C 59 179.200 179.200 178.596 0.604 18318
661 1 2 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.260 3.240 18318
662 1 2 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.814 -1.014 18318
663 1 2 . 1 1 62 62 ALA H H 59 7.200 7.200 8.095 -0.895 18318
664 1 2 . 1 1 63 63 GLN N N 60 115.800 115.800 120.013 -4.213 18318
665 1 2 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.115 0.365 18318
666 1 2 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.108 0.092 18318
667 1 2 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.746 -2.046 18318
668 1 2 . 1 1 63 63 GLN H H 60 9.040 9.040 8.771 0.269 18318
669 1 2 . 1 1 64 64 PRO C C 61 179.700 179.700 177.697 2.003 18318
670 1 2 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.274 0.326 18318
671 1 2 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.035 -0.235 18318
672 1 2 . 1 1 65 65 PHE N N 62 120.500 120.500 119.580 0.920 18318
673 1 2 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.247 0.033 18318
674 1 2 . 1 1 65 65 PHE C C 62 176.400 176.400 176.796 -0.396 18318
675 1 2 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.763 1.637 18318
676 1 2 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.011 -0.411 18318
677 1 2 . 1 1 65 65 PHE H H 62 8.500 8.500 7.952 0.548 18318
678 1 2 . 1 1 66 66 GLU N N 63 120.200 120.200 119.811 0.389 18318
679 1 2 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.812 0.218 18318
680 1 2 . 1 1 66 66 GLU C C 63 179.300 179.300 178.020 1.280 18318
681 1 2 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.935 0.265 18318
682 1 2 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.837 -1.337 18318
683 1 2 . 1 1 66 66 GLU H H 63 8.900 8.900 8.482 0.418 18318
684 1 2 . 1 1 67 67 ALA N N 64 120.600 120.600 122.077 -1.477 18318
685 1 2 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.915 -0.045 18318
686 1 2 . 1 1 67 67 ALA C C 64 180.500 180.500 179.803 0.697 18318
687 1 2 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.993 -0.293 18318
688 1 2 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.904 0.196 18318
689 1 2 . 1 1 67 67 ALA H H 64 8.150 8.150 7.253 0.897 18318
690 1 2 . 1 1 68 68 PHE N N 65 120.000 120.000 116.536 3.464 18318
691 1 2 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.097 0.223 18318
692 1 2 . 1 1 68 68 PHE C C 65 175.400 175.400 177.779 -2.379 18318
693 1 2 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.572 0.228 18318
694 1 2 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.684 0.316 18318
695 1 2 . 1 1 68 68 PHE H H 65 7.810 7.810 6.918 0.892 18318
696 1 2 . 1 1 69 69 GLU N N 66 119.400 119.400 119.350 0.050 18318
697 1 2 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.907 0.263 18318
698 1 2 . 1 1 69 69 GLU C C 66 178.800 178.800 178.815 -0.015 18318
699 1 2 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.356 1.844 18318
700 1 2 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.055 0.045 18318
701 1 2 . 1 1 69 69 GLU H H 66 8.330 8.330 7.535 0.795 18318
702 1 2 . 1 1 70 70 GLU N N 67 118.600 118.600 119.086 -0.486 18318
703 1 2 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.163 -0.193 18318
704 1 2 . 1 1 70 70 GLU C C 67 177.700 177.700 178.410 -0.710 18318
705 1 2 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.863 -0.063 18318
706 1 2 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.815 -1.115 18318
707 1 2 . 1 1 70 70 GLU H H 67 8.240 8.240 7.777 0.463 18318
708 1 2 . 1 1 71 71 CYS N N 68 119.100 119.100 119.310 -0.210 18318
709 1 2 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.216 -0.136 18318
710 1 2 . 1 1 71 71 CYS C C 68 177.900 177.900 177.137 0.763 18318
711 1 2 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.567 -2.967 18318
712 1 2 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.491 12.509 18318
713 1 2 . 1 1 71 71 CYS H H 68 7.580 7.580 7.691 -0.111 18318
714 1 2 . 1 1 72 72 LEU N N 69 122.000 122.000 119.029 2.971 18318
715 1 2 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.205 -0.505 18318
716 1 2 . 1 1 72 72 LEU C C 69 179.300 179.300 178.690 0.610 18318
717 1 2 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.097 0.503 18318
718 1 2 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.548 -0.548 18318
719 1 2 . 1 1 72 72 LEU H H 69 8.090 8.090 7.810 0.280 18318
720 1 2 . 1 1 73 73 ARG N N 70 117.400 117.400 118.175 -0.775 18318
721 1 2 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.949 0.061 18318
722 1 2 . 1 1 73 73 ARG C C 70 178.500 178.500 177.785 0.715 18318
723 1 2 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.743 -0.043 18318
724 1 2 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.071 0.029 18318
725 1 2 . 1 1 73 73 ARG H H 70 7.600 7.600 7.452 0.148 18318
726 1 2 . 1 1 74 74 GLN N N 71 115.800 115.800 114.516 1.284 18318
727 1 2 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.444 -0.154 18318
728 1 2 . 1 1 74 74 GLN C C 71 176.200 176.200 176.692 -0.492 18318
729 1 2 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.371 0.029 18318
730 1 2 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.506 -1.306 18318
731 1 2 . 1 1 74 74 GLN H H 71 7.580 7.580 7.716 -0.136 18318
732 1 2 . 1 1 75 75 ASN N N 72 118.600 118.600 120.106 -1.506 18318
733 1 2 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.944 0.046 18318
734 1 2 . 1 1 75 75 ASN C C 72 174.800 174.800 174.297 0.503 18318
735 1 2 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.449 0.551 18318
736 1 2 . 1 1 75 75 ASN CB C 72 39.800 39.800 37.739 2.061 18318
737 1 2 . 1 1 75 75 ASN H H 72 7.750 7.750 8.341 -0.591 18318
738 1 2 . 1 1 76 76 GLU N N 73 120.200 120.200 119.814 0.386 18318
739 1 2 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.992 -0.032 18318
740 1 2 . 1 1 76 76 GLU C C 73 176.800 176.800 177.435 -0.635 18318
741 1 2 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.028 0.172 18318
742 1 2 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.383 -0.283 18318
743 1 2 . 1 1 76 76 GLU H H 73 7.950 7.950 7.771 0.179 18318
744 1 2 . 1 1 77 77 ALA N N 74 119.200 119.200 121.144 -1.944 18318
745 1 2 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.502 -0.142 18318
746 1 2 . 1 1 77 77 ALA C C 74 175.400 175.400 177.516 -2.116 18318
747 1 2 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.827 -0.727 18318
748 1 2 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.728 -0.528 18318
749 1 2 . 1 1 77 77 ALA H H 74 8.320 8.320 8.308 0.012 18318
750 1 2 . 1 1 78 78 ALA N N 75 124.400 124.400 120.860 3.540 18318
751 1 2 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.448 -0.068 18318
752 1 2 . 1 1 78 78 ALA C C 75 177.200 177.200 178.055 -0.855 18318
753 1 2 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.538 -0.138 18318
754 1 2 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.879 0.121 18318
755 1 2 . 1 1 78 78 ALA H H 75 7.900 7.900 8.005 -0.105 18318
756 1 2 . 1 1 79 79 VAL N N 76 118.400 118.400 118.636 -0.236 18318
757 1 2 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.944 -0.154 18318
758 1 2 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.142 -0.042 18318
759 1 2 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.375 -0.075 18318
760 1 2 . 1 1 79 79 VAL H H 76 8.100 8.100 7.931 0.169 18318
761 1 2 . 1 1 80 80 GLY C C 77 175.900 175.900 175.449 0.451 18318
762 1 2 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.911 -0.511 18318
763 1 2 . 1 1 81 81 ASN N N 78 119.300 119.300 117.236 2.064 18318
764 1 2 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.827 -0.227 18318
765 1 2 . 1 1 81 81 ASN C C 78 176.700 176.700 174.300 2.400 18318
766 1 2 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.376 1.124 18318
767 1 2 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.981 -2.681 18318
768 1 2 . 1 1 81 81 ASN H H 78 8.200 8.200 8.106 0.094 18318
769 1 2 . 1 1 82 82 CYS N N 79 117.200 117.200 114.153 3.047 18318
770 1 2 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.746 0.654 18318
771 1 2 . 1 1 82 82 CYS C C 79 175.800 175.800 172.783 3.017 18318
772 1 2 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.420 -2.920 18318
773 1 2 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.651 8.649 18318
774 1 2 . 1 1 82 82 CYS H H 79 8.330 8.330 7.199 1.131 18318
775 1 2 . 1 1 83 83 ALA N N 80 125.000 125.000 125.491 -0.491 18318
776 1 2 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.562 -0.412 18318
777 1 2 . 1 1 83 83 ALA C C 80 179.900 179.900 177.449 2.451 18318
778 1 2 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.571 5.629 18318
779 1 2 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.126 -1.926 18318
780 1 2 . 1 1 83 83 ALA H H 80 7.700 7.700 8.201 -0.501 18318
781 1 2 . 1 1 84 84 GLU N N 81 118.900 118.900 127.513 -8.613 18318
782 1 2 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.024 -0.074 18318
783 1 2 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.883 0.117 18318
784 1 2 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.398 -0.498 18318
785 1 2 . 1 1 84 84 GLU H H 81 8.920 8.920 8.994 -0.074 18318
786 1 2 . 1 1 85 85 HIS C C 82 178.500 178.500 176.970 1.530 18318
787 1 2 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.061 -2.961 18318
788 1 2 . 1 1 86 86 MET N N 83 118.800 118.800 118.291 0.509 18318
789 1 2 . 1 1 86 86 MET C C 83 177.200 177.200 178.103 -0.903 18318
790 1 2 . 1 1 86 86 MET CA C 83 58.900 58.900 58.597 0.303 18318
791 1 2 . 1 1 86 86 MET CB C 83 31.300 31.300 32.582 -1.282 18318
792 1 2 . 1 1 86 86 MET H H 83 7.460 7.460 8.334 -0.874 18318
793 1 2 . 1 1 87 87 ARG N N 84 119.500 119.500 117.104 2.396 18318
794 1 2 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.899 0.011 18318
795 1 2 . 1 1 87 87 ARG C C 84 178.600 178.600 178.184 0.416 18318
796 1 2 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.410 1.490 18318
797 1 2 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.116 0.384 18318
798 1 2 . 1 1 87 87 ARG H H 84 8.220 8.220 7.542 0.678 18318
799 1 2 . 1 1 88 88 ARG N N 85 117.900 117.900 118.695 -0.795 18318
800 1 2 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.807 0.113 18318
801 1 2 . 1 1 88 88 ARG C C 85 179.700 179.700 178.286 1.414 18318
802 1 2 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.870 0.630 18318
803 1 2 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.420 0.580 18318
804 1 2 . 1 1 88 88 ARG H H 85 8.100 8.100 7.283 0.817 18318
805 1 2 . 1 1 89 89 PHE N N 86 119.700 119.700 118.563 1.137 18318
806 1 2 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.482 -0.132 18318
807 1 2 . 1 1 89 89 PHE C C 86 175.600 175.600 177.423 -1.823 18318
808 1 2 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.258 0.842 18318
809 1 2 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.210 -1.410 18318
810 1 2 . 1 1 89 89 PHE H H 86 7.930 7.930 7.604 0.326 18318
811 1 2 . 1 1 90 90 LEU N N 87 120.400 120.400 120.526 -0.126 18318
812 1 2 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.087 -0.377 18318
813 1 2 . 1 1 90 90 LEU C C 87 179.200 179.200 178.638 0.562 18318
814 1 2 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.938 -0.238 18318
815 1 2 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.016 -1.716 18318
816 1 2 . 1 1 90 90 LEU H H 87 8.640 8.640 7.677 0.963 18318
817 1 2 . 1 1 91 91 GLN N N 88 118.200 118.200 119.141 -0.941 18318
818 1 2 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.231 -0.191 18318
819 1 2 . 1 1 91 91 GLN C C 88 178.000 178.000 178.333 -0.333 18318
820 1 2 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.751 -0.051 18318
821 1 2 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.987 -0.987 18318
822 1 2 . 1 1 91 91 GLN H H 88 8.380 8.380 8.435 -0.055 18318
823 1 2 . 1 1 92 92 CYS N N 89 119.000 119.000 118.054 0.946 18318
824 1 2 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.340 -0.290 18318
825 1 2 . 1 1 92 92 CYS C C 89 176.600 176.600 177.189 -0.589 18318
826 1 2 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.031 -1.931 18318
827 1 2 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.748 13.752 18318
828 1 2 . 1 1 92 92 CYS H H 89 7.390 7.390 7.801 -0.411 18318
829 1 2 . 1 1 93 93 ALA N N 90 122.900 122.900 122.272 0.628 18318
830 1 2 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.017 -0.107 18318
831 1 2 . 1 1 93 93 ALA C C 90 179.200 179.200 178.739 0.461 18318
832 1 2 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.887 -0.187 18318
833 1 2 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.314 -0.514 18318
834 1 2 . 1 1 93 93 ALA H H 90 8.410 8.410 7.811 0.599 18318
835 1 2 . 1 1 94 94 GLU N N 91 115.800 115.800 118.830 -3.030 18318
836 1 2 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.059 0.091 18318
837 1 2 . 1 1 94 94 GLU C C 91 177.400 177.400 178.560 -1.160 18318
838 1 2 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.485 -0.585 18318
839 1 2 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.726 -0.326 18318
840 1 2 . 1 1 94 94 GLU H H 91 7.880 7.880 7.950 -0.070 18318
841 1 2 . 1 1 95 95 GLN N N 92 115.500 115.500 118.238 -2.738 18318
842 1 2 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.185 0.105 18318
843 1 2 . 1 1 95 95 GLN C C 92 176.600 176.600 176.619 -0.019 18318
844 1 2 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.596 -1.296 18318
845 1 2 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.481 -0.581 18318
846 1 2 . 1 1 95 95 GLN H H 92 7.450 7.450 7.730 -0.280 18318
847 1 3 . 1 1 15 15 CYS N N 12 117.500 117.500 119.984 -2.484 18318
848 1 3 . 1 1 15 15 CYS C C 12 175.500 175.500 175.420 0.080 18318
849 1 3 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.750 -5.050 18318
850 1 3 . 1 1 15 15 CYS CB C 12 36.700 36.700 28.695 8.005 18318
851 1 3 . 1 1 15 15 CYS H H 12 8.280 8.280 8.844 -0.564 18318
852 1 3 . 1 1 16 16 GLY N N 13 108.700 108.700 112.202 -3.502 18318
853 1 3 . 1 1 16 16 GLY C C 13 176.600 176.600 174.722 1.878 18318
854 1 3 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.913 2.987 18318
855 1 3 . 1 1 16 16 GLY H H 13 8.080 8.080 8.912 -0.832 18318
856 1 3 . 1 1 17 17 ARG N N 14 123.300 123.300 120.463 2.837 18318
857 1 3 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.015 -0.055 18318
858 1 3 . 1 1 17 17 ARG C C 14 179.300 179.300 177.379 1.921 18318
859 1 3 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.256 0.944 18318
860 1 3 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.524 -0.424 18318
861 1 3 . 1 1 17 17 ARG H H 14 8.630 8.630 8.136 0.494 18318
862 1 3 . 1 1 18 18 GLU N N 15 121.900 121.900 117.883 4.017 18318
863 1 3 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.355 -0.185 18318
864 1 3 . 1 1 18 18 GLU C C 15 177.900 177.900 177.936 -0.036 18318
865 1 3 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.234 2.866 18318
866 1 3 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.442 -1.242 18318
867 1 3 . 1 1 18 18 GLU H H 15 9.670 9.670 8.710 0.960 18318
868 1 3 . 1 1 19 19 LEU N N 16 119.400 119.400 122.457 -3.057 18318
869 1 3 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.287 1.613 18318
870 1 3 . 1 1 19 19 LEU H H 16 8.090 8.090 7.949 0.141 18318
871 1 3 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.053 -0.373 18318
872 1 3 . 1 1 20 20 GLU C C 17 177.200 177.200 179.174 -1.974 18318
873 1 3 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.574 -0.274 18318
874 1 3 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.307 -0.307 18318
875 1 3 . 1 1 21 21 GLN N N 18 118.500 118.500 118.683 -0.183 18318
876 1 3 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.080 -0.040 18318
877 1 3 . 1 1 21 21 GLN C C 18 177.200 177.200 178.485 -1.285 18318
878 1 3 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.562 0.438 18318
879 1 3 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.686 0.015 18318
880 1 3 . 1 1 21 21 GLN H H 18 8.560 8.560 7.662 0.898 18318
881 1 3 . 1 1 22 22 TYR N N 19 120.700 120.700 122.167 -1.467 18318
882 1 3 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.304 -0.024 18318
883 1 3 . 1 1 22 22 TYR C C 19 176.600 176.600 178.015 -1.415 18318
884 1 3 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.058 1.042 18318
885 1 3 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.238 0.662 18318
886 1 3 . 1 1 22 22 TYR H H 19 8.120 8.120 8.894 -0.774 18318
887 1 3 . 1 1 23 23 GLY N N 20 105.600 105.600 106.250 -0.650 18318
888 1 3 . 1 1 23 23 GLY C C 20 176.700 176.700 176.153 0.547 18318
889 1 3 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.468 -0.367 18318
890 1 3 . 1 1 23 23 GLY H H 20 8.390 8.390 8.368 0.022 18318
891 1 3 . 1 1 24 24 GLN N N 21 120.300 120.300 121.065 -0.765 18318
892 1 3 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.128 -0.078 18318
893 1 3 . 1 1 24 24 GLN C C 21 178.000 178.000 178.458 -0.458 18318
894 1 3 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.771 -0.171 18318
895 1 3 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.578 -0.978 18318
896 1 3 . 1 1 24 24 GLN H H 21 8.130 8.130 7.796 0.334 18318
897 1 3 . 1 1 25 25 CYS N N 22 121.500 121.500 118.944 2.556 18318
898 1 3 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.425 -0.145 18318
899 1 3 . 1 1 25 25 CYS C C 22 175.400 175.400 177.534 -2.134 18318
900 1 3 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.974 -2.374 18318
901 1 3 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.445 13.455 18318
902 1 3 . 1 1 25 25 CYS H H 22 7.610 7.610 8.249 -0.639 18318
903 1 3 . 1 1 26 26 VAL N N 23 119.900 119.900 120.074 -0.174 18318
904 1 3 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.303 -0.513 18318
905 1 3 . 1 1 26 26 VAL C C 23 177.100 177.100 176.957 0.143 18318
906 1 3 . 1 1 26 26 VAL CA C 23 65.900 65.900 63.911 1.989 18318
907 1 3 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.649 -2.349 18318
908 1 3 . 1 1 26 26 VAL H H 23 8.040 8.040 8.067 -0.027 18318
909 1 3 . 1 1 27 27 ALA N N 24 117.400 117.400 121.553 -4.153 18318
910 1 3 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.132 -0.032 18318
911 1 3 . 1 1 27 27 ALA C C 24 178.600 178.600 178.787 -0.187 18318
912 1 3 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.439 -0.339 18318
913 1 3 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.713 -0.813 18318
914 1 3 . 1 1 27 27 ALA H H 24 7.430 7.430 7.848 -0.418 18318
915 1 3 . 1 1 28 28 ALA N N 25 116.100 116.100 120.977 -4.877 18318
916 1 3 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.204 0.126 18318
917 1 3 . 1 1 28 28 ALA C C 25 178.100 178.100 177.959 0.141 18318
918 1 3 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.803 -1.203 18318
919 1 3 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.537 -0.437 18318
920 1 3 . 1 1 28 28 ALA H H 25 7.120 7.120 7.728 -0.608 18318
921 1 3 . 1 1 29 29 LYS N N 26 119.200 119.200 114.107 5.093 18318
922 1 3 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.979 4.721 18318
923 1 3 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.537 -2.437 18318
924 1 3 . 1 1 29 29 LYS H H 26 7.560 7.560 7.480 0.080 18318
925 1 3 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.339 -0.129 18318
926 1 3 . 1 1 30 30 PRO C C 27 177.000 177.000 177.727 -0.727 18318
927 1 3 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.556 0.344 18318
928 1 3 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.306 -0.706 18318
929 1 3 . 1 1 31 31 GLU N N 28 114.600 114.600 118.095 -3.495 18318
930 1 3 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.337 0.113 18318
931 1 3 . 1 1 31 31 GLU C C 28 176.100 176.100 178.147 -2.047 18318
932 1 3 . 1 1 31 31 GLU CA C 28 57.200 57.200 59.063 -1.863 18318
933 1 3 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.654 -0.054 18318
934 1 3 . 1 1 31 31 GLU H H 28 8.770 8.770 8.621 0.149 18318
935 1 3 . 1 1 32 32 SER N N 29 111.000 111.000 114.985 -3.985 18318
936 1 3 . 1 1 32 32 SER HA H 29 4.510 4.510 4.214 0.296 18318
937 1 3 . 1 1 32 32 SER C C 29 176.600 176.600 176.227 0.373 18318
938 1 3 . 1 1 32 32 SER CA C 29 58.500 58.500 60.136 -1.636 18318
939 1 3 . 1 1 32 32 SER CB C 29 63.800 63.800 62.011 1.790 18318
940 1 3 . 1 1 32 32 SER H H 29 7.750 7.750 8.319 -0.569 18318
941 1 3 . 1 1 33 33 TRP N N 30 125.000 125.000 123.902 1.098 18318
942 1 3 . 1 1 33 33 TRP C C 30 177.200 177.200 177.406 -0.206 18318
943 1 3 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.170 -1.170 18318
944 1 3 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.506 0.994 18318
945 1 3 . 1 1 33 33 TRP H H 30 7.820 7.820 7.429 0.391 18318
946 1 3 . 1 1 34 34 GLN N N 31 123.600 123.600 117.415 6.185 18318
947 1 3 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.367 1.083 18318
948 1 3 . 1 1 34 34 GLN C C 31 176.800 176.800 177.238 -0.438 18318
949 1 3 . 1 1 34 34 GLN CA C 31 59.900 59.900 56.815 3.085 18318
950 1 3 . 1 1 34 34 GLN CB C 31 26.500 26.500 27.867 -1.367 18318
951 1 3 . 1 1 34 34 GLN H H 31 8.240 8.240 7.262 0.978 18318
952 1 3 . 1 1 35 35 ARG N N 32 115.900 115.900 116.130 -0.230 18318
953 1 3 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.099 0.181 18318
954 1 3 . 1 1 35 35 ARG C C 32 178.900 178.900 177.547 1.353 18318
955 1 3 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.992 -0.592 18318
956 1 3 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.213 1.087 18318
957 1 3 . 1 1 35 35 ARG H H 32 7.450 7.450 7.280 0.170 18318
958 1 3 . 1 1 36 36 ASP N N 33 117.700 117.700 118.701 -1.001 18318
959 1 3 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.698 -0.558 18318
960 1 3 . 1 1 36 36 ASP C C 33 177.600 177.600 176.520 1.080 18318
961 1 3 . 1 1 36 36 ASP CA C 33 57.200 57.200 55.974 1.226 18318
962 1 3 . 1 1 36 36 ASP CB C 33 40.900 40.900 42.677 -1.777 18318
963 1 3 . 1 1 36 36 ASP H H 33 8.760 8.760 7.907 0.853 18318
964 1 3 . 1 1 37 37 CYS N N 34 113.300 113.300 117.950 -4.650 18318
965 1 3 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.891 0.509 18318
966 1 3 . 1 1 37 37 CYS C C 34 175.800 175.800 174.588 1.212 18318
967 1 3 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.557 -3.457 18318
968 1 3 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.671 12.829 18318
969 1 3 . 1 1 37 37 CYS H H 34 8.260 8.260 7.544 0.716 18318
970 1 3 . 1 1 38 38 HIS N N 35 124.200 124.200 123.580 0.620 18318
971 1 3 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.264 0.086 18318
972 1 3 . 1 1 38 38 HIS C C 35 177.400 177.400 175.975 1.425 18318
973 1 3 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.057 1.943 18318
974 1 3 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.643 -0.043 18318
975 1 3 . 1 1 38 38 HIS H H 35 7.520 7.520 8.492 -0.972 18318
976 1 3 . 1 1 39 39 TYR N N 36 117.100 117.100 119.205 -2.105 18318
977 1 3 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.397 -0.097 18318
978 1 3 . 1 1 39 39 TYR C C 36 177.700 177.700 178.009 -0.309 18318
979 1 3 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.971 -0.371 18318
980 1 3 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.348 -1.148 18318
981 1 3 . 1 1 39 39 TYR H H 36 8.930 8.930 7.949 0.981 18318
982 1 3 . 1 1 40 40 LEU N N 37 122.000 122.000 118.789 3.211 18318
983 1 3 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.079 0.091 18318
984 1 3 . 1 1 40 40 LEU C C 37 179.400 179.400 178.652 0.748 18318
985 1 3 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.725 -1.225 18318
986 1 3 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.101 1.299 18318
987 1 3 . 1 1 40 40 LEU H H 37 6.940 6.940 8.440 -1.500 18318
988 1 3 . 1 1 41 41 LYS N N 38 125.300 125.300 119.054 6.246 18318
989 1 3 . 1 1 41 41 LYS C C 38 179.600 179.600 178.852 0.748 18318
990 1 3 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.800 0.800 18318
991 1 3 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.421 -1.421 18318
992 1 3 . 1 1 41 41 LYS H H 38 7.880 7.880 7.383 0.497 18318
993 1 3 . 1 1 42 42 MET N N 39 117.600 117.600 118.971 -1.371 18318
994 1 3 . 1 1 42 42 MET HA H 39 4.120 4.120 4.292 -0.172 18318
995 1 3 . 1 1 42 42 MET C C 39 178.900 178.900 177.991 0.909 18318
996 1 3 . 1 1 42 42 MET CA C 39 57.200 57.200 57.604 -0.404 18318
997 1 3 . 1 1 42 42 MET CB C 39 30.000 30.000 32.742 -2.742 18318
998 1 3 . 1 1 42 42 MET H H 39 8.090 8.090 7.633 0.457 18318
999 1 3 . 1 1 43 43 SER N N 40 115.900 115.900 116.786 -0.886 18318
1000 1 3 . 1 1 43 43 SER HA H 40 4.290 4.290 4.297 -0.007 18318
1001 1 3 . 1 1 43 43 SER C C 40 177.400 177.400 176.470 0.930 18318
1002 1 3 . 1 1 43 43 SER CA C 40 61.700 61.700 61.765 -0.065 18318
1003 1 3 . 1 1 43 43 SER CB C 40 62.500 62.500 63.037 -0.537 18318
1004 1 3 . 1 1 43 43 SER H H 40 7.600 7.600 8.315 -0.715 18318
1005 1 3 . 1 1 44 44 ILE N N 41 121.900 121.900 118.651 3.249 18318
1006 1 3 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.908 -0.368 18318
1007 1 3 . 1 1 44 44 ILE C C 41 177.500 177.500 177.416 0.084 18318
1008 1 3 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.283 1.817 18318
1009 1 3 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.217 0.683 18318
1010 1 3 . 1 1 44 44 ILE H H 41 7.540 7.540 7.356 0.184 18318
1011 1 3 . 1 1 45 45 ALA N N 42 122.600 122.600 122.889 -0.289 18318
1012 1 3 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.913 0.267 18318
1013 1 3 . 1 1 45 45 ALA C C 42 180.200 180.200 179.896 0.304 18318
1014 1 3 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.225 -0.425 18318
1015 1 3 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.227 -0.927 18318
1016 1 3 . 1 1 45 45 ALA H H 42 7.420 7.420 7.756 -0.336 18318
1017 1 3 . 1 1 46 46 GLN N N 43 118.400 118.400 116.309 2.091 18318
1018 1 3 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.047 -0.077 18318
1019 1 3 . 1 1 46 46 GLN C C 43 178.500 178.500 176.791 1.709 18318
1020 1 3 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.998 0.702 18318
1021 1 3 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.786 -0.986 18318
1022 1 3 . 1 1 46 46 GLN H H 43 8.290 8.290 7.917 0.373 18318
1023 1 3 . 1 1 47 47 CYS N N 44 119.500 119.500 118.117 1.383 18318
1024 1 3 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.262 -0.172 18318
1025 1 3 . 1 1 47 47 CYS C C 44 176.500 176.500 177.311 -0.811 18318
1026 1 3 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.144 -0.844 18318
1027 1 3 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.260 12.640 18318
1028 1 3 . 1 1 47 47 CYS H H 44 7.590 7.590 7.709 -0.119 18318
1029 1 3 . 1 1 48 48 THR N N 45 113.000 113.000 114.556 -1.556 18318
1030 1 3 . 1 1 48 48 THR C C 45 175.900 175.900 176.225 -0.325 18318
1031 1 3 . 1 1 48 48 THR CA C 45 65.400 65.400 65.109 0.292 18318
1032 1 3 . 1 1 48 48 THR CB C 45 68.800 68.800 68.615 0.185 18318
1033 1 3 . 1 1 48 48 THR H H 45 8.810 8.810 8.294 0.516 18318
1034 1 3 . 1 1 49 49 SER N N 46 113.200 113.200 115.636 -2.436 18318
1035 1 3 . 1 1 49 49 SER HA H 46 4.380 4.380 4.497 -0.117 18318
1036 1 3 . 1 1 49 49 SER C C 46 175.600 175.600 174.988 0.612 18318
1037 1 3 . 1 1 49 49 SER CA C 46 60.000 60.000 57.585 2.415 18318
1038 1 3 . 1 1 49 49 SER CB C 46 63.900 63.900 62.066 1.834 18318
1039 1 3 . 1 1 49 49 SER H H 46 7.890 7.890 7.683 0.207 18318
1040 1 3 . 1 1 50 50 SER N N 47 114.100 114.100 116.371 -2.271 18318
1041 1 3 . 1 1 50 50 SER HA H 47 4.390 4.390 4.316 0.074 18318
1042 1 3 . 1 1 50 50 SER CA C 47 59.100 59.100 60.660 -1.560 18318
1043 1 3 . 1 1 50 50 SER CB C 47 64.800 64.800 63.797 1.003 18318
1044 1 3 . 1 1 50 50 SER H H 47 7.770 7.770 7.734 0.036 18318
1045 1 3 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.172 0.418 18318
1046 1 3 . 1 1 55 55 ARG C C 52 178.500 178.500 177.723 0.777 18318
1047 1 3 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.081 1.919 18318
1048 1 3 . 1 1 56 56 GLN N N 53 117.700 117.700 120.724 -3.024 18318
1049 1 3 . 1 1 56 56 GLN C C 53 175.000 175.000 178.241 -3.241 18318
1050 1 3 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.142 1.058 18318
1051 1 3 . 1 1 56 56 GLN H H 53 8.110 8.110 8.661 -0.551 18318
1052 1 3 . 1 1 57 57 ILE N N 54 121.200 121.200 114.138 7.062 18318
1053 1 3 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.853 -0.533 18318
1054 1 3 . 1 1 57 57 ILE C C 54 178.700 178.700 177.376 1.324 18318
1055 1 3 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.930 2.070 18318
1056 1 3 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.919 0.781 18318
1057 1 3 . 1 1 57 57 ILE H H 54 7.820 7.820 7.856 -0.036 18318
1058 1 3 . 1 1 58 58 ARG N N 55 118.900 118.900 120.378 -1.478 18318
1059 1 3 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.941 0.369 18318
1060 1 3 . 1 1 58 58 ARG C C 55 178.600 178.600 177.585 1.015 18318
1061 1 3 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.026 0.874 18318
1062 1 3 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.959 1.541 18318
1063 1 3 . 1 1 58 58 ARG H H 55 8.250 8.250 7.613 0.637 18318
1064 1 3 . 1 1 59 59 GLN N N 56 115.800 115.800 116.460 -0.660 18318
1065 1 3 . 1 1 59 59 GLN C C 56 178.100 178.100 176.888 1.212 18318
1066 1 3 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.473 0.527 18318
1067 1 3 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.944 -0.144 18318
1068 1 3 . 1 1 59 59 GLN H H 56 7.920 7.920 8.080 -0.160 18318
1069 1 3 . 1 1 60 60 ALA N N 57 121.600 121.600 122.022 -0.422 18318
1070 1 3 . 1 1 60 60 ALA HA H 57 4.180 4.180 3.985 0.195 18318
1071 1 3 . 1 1 60 60 ALA C C 57 179.600 179.600 177.672 1.928 18318
1072 1 3 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.018 0.482 18318
1073 1 3 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.435 -0.535 18318
1074 1 3 . 1 1 60 60 ALA H H 57 8.490 8.490 7.540 0.950 18318
1075 1 3 . 1 1 61 61 CYS N N 58 114.000 114.000 113.823 0.177 18318
1076 1 3 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.095 1.035 18318
1077 1 3 . 1 1 61 61 CYS C C 58 175.000 175.000 175.118 -0.118 18318
1078 1 3 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.618 -6.918 18318
1079 1 3 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.566 13.234 18318
1080 1 3 . 1 1 61 61 CYS H H 58 8.370 8.370 7.682 0.688 18318
1081 1 3 . 1 1 62 62 ALA N N 59 124.900 124.900 120.525 4.375 18318
1082 1 3 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.499 -0.229 18318
1083 1 3 . 1 1 62 62 ALA C C 59 179.200 179.200 178.025 1.175 18318
1084 1 3 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.042 3.458 18318
1085 1 3 . 1 1 62 62 ALA CB C 59 18.800 18.800 18.854 -0.054 18318
1086 1 3 . 1 1 62 62 ALA H H 59 7.200 7.200 8.428 -1.228 18318
1087 1 3 . 1 1 63 63 GLN N N 60 115.800 115.800 119.839 -4.039 18318
1088 1 3 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.097 0.383 18318
1089 1 3 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.595 0.605 18318
1090 1 3 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.282 -1.581 18318
1091 1 3 . 1 1 63 63 GLN H H 60 9.040 9.040 8.710 0.330 18318
1092 1 3 . 1 1 64 64 PRO C C 61 179.700 179.700 177.440 2.260 18318
1093 1 3 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.424 0.176 18318
1094 1 3 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.081 -0.281 18318
1095 1 3 . 1 1 65 65 PHE N N 62 120.500 120.500 118.916 1.584 18318
1096 1 3 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.325 -0.045 18318
1097 1 3 . 1 1 65 65 PHE C C 62 176.400 176.400 176.631 -0.231 18318
1098 1 3 . 1 1 65 65 PHE CA C 62 62.400 62.400 58.771 3.629 18318
1099 1 3 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.816 -0.215 18318
1100 1 3 . 1 1 65 65 PHE H H 62 8.500 8.500 7.974 0.526 18318
1101 1 3 . 1 1 66 66 GLU N N 63 120.200 120.200 120.298 -0.098 18318
1102 1 3 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.642 0.388 18318
1103 1 3 . 1 1 66 66 GLU C C 63 179.300 179.300 178.198 1.102 18318
1104 1 3 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.957 0.243 18318
1105 1 3 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.581 -1.081 18318
1106 1 3 . 1 1 66 66 GLU H H 63 8.900 8.900 8.179 0.721 18318
1107 1 3 . 1 1 67 67 ALA N N 64 120.600 120.600 122.411 -1.811 18318
1108 1 3 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.906 -0.036 18318
1109 1 3 . 1 1 67 67 ALA C C 64 180.500 180.500 179.783 0.717 18318
1110 1 3 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.936 -0.236 18318
1111 1 3 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.162 -0.062 18318
1112 1 3 . 1 1 67 67 ALA H H 64 8.150 8.150 7.206 0.944 18318
1113 1 3 . 1 1 68 68 PHE N N 65 120.000 120.000 116.149 3.851 18318
1114 1 3 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.180 0.140 18318
1115 1 3 . 1 1 68 68 PHE C C 65 175.400 175.400 177.726 -2.326 18318
1116 1 3 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.145 0.655 18318
1117 1 3 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.859 0.141 18318
1118 1 3 . 1 1 68 68 PHE H H 65 7.810 7.810 7.113 0.697 18318
1119 1 3 . 1 1 69 69 GLU N N 66 119.400 119.400 119.628 -0.228 18318
1120 1 3 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.918 0.252 18318
1121 1 3 . 1 1 69 69 GLU C C 66 178.800 178.800 178.876 -0.076 18318
1122 1 3 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.401 0.799 18318
1123 1 3 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.116 -0.016 18318
1124 1 3 . 1 1 69 69 GLU H H 66 8.330 8.330 7.612 0.718 18318
1125 1 3 . 1 1 70 70 GLU N N 67 118.600 118.600 119.021 -0.421 18318
1126 1 3 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.134 -0.164 18318
1127 1 3 . 1 1 70 70 GLU C C 67 177.700 177.700 178.353 -0.653 18318
1128 1 3 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.100 -0.300 18318
1129 1 3 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.705 -1.005 18318
1130 1 3 . 1 1 70 70 GLU H H 67 8.240 8.240 7.689 0.551 18318
1131 1 3 . 1 1 71 71 CYS N N 68 119.100 119.100 118.158 0.942 18318
1132 1 3 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.205 -0.125 18318
1133 1 3 . 1 1 71 71 CYS C C 68 177.900 177.900 177.378 0.522 18318
1134 1 3 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.864 -2.264 18318
1135 1 3 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.542 12.458 18318
1136 1 3 . 1 1 71 71 CYS H H 68 7.580 7.580 7.540 0.040 18318
1137 1 3 . 1 1 72 72 LEU N N 69 122.000 122.000 118.184 3.816 18318
1138 1 3 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.277 -0.577 18318
1139 1 3 . 1 1 72 72 LEU C C 69 179.300 179.300 178.823 0.477 18318
1140 1 3 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.154 0.446 18318
1141 1 3 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.472 -0.472 18318
1142 1 3 . 1 1 72 72 LEU H H 69 8.090 8.090 7.701 0.389 18318
1143 1 3 . 1 1 73 73 ARG N N 70 117.400 117.400 119.194 -1.794 18318
1144 1 3 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.938 0.072 18318
1145 1 3 . 1 1 73 73 ARG C C 70 178.500 178.500 178.022 0.478 18318
1146 1 3 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.912 -0.212 18318
1147 1 3 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.059 0.041 18318
1148 1 3 . 1 1 73 73 ARG H H 70 7.600 7.600 7.482 0.118 18318
1149 1 3 . 1 1 74 74 GLN N N 71 115.800 115.800 114.121 1.679 18318
1150 1 3 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.482 -0.192 18318
1151 1 3 . 1 1 74 74 GLN C C 71 176.200 176.200 175.714 0.486 18318
1152 1 3 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.075 0.325 18318
1153 1 3 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.837 -1.637 18318
1154 1 3 . 1 1 74 74 GLN H H 71 7.580 7.580 7.606 -0.026 18318
1155 1 3 . 1 1 75 75 ASN N N 72 118.600 118.600 117.460 1.140 18318
1156 1 3 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.029 -0.039 18318
1157 1 3 . 1 1 75 75 ASN C C 72 174.800 174.800 175.376 -0.576 18318
1158 1 3 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.844 0.155 18318
1159 1 3 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.253 0.547 18318
1160 1 3 . 1 1 75 75 ASN H H 72 7.750 7.750 7.926 -0.176 18318
1161 1 3 . 1 1 76 76 GLU N N 73 120.200 120.200 121.926 -1.726 18318
1162 1 3 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.986 -0.026 18318
1163 1 3 . 1 1 76 76 GLU C C 73 176.800 176.800 177.037 -0.237 18318
1164 1 3 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.381 -0.181 18318
1165 1 3 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.199 -0.099 18318
1166 1 3 . 1 1 76 76 GLU H H 73 7.950 7.950 8.157 -0.207 18318
1167 1 3 . 1 1 77 77 ALA N N 74 119.200 119.200 120.317 -1.117 18318
1168 1 3 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.432 -0.072 18318
1169 1 3 . 1 1 77 77 ALA C C 74 175.400 175.400 177.242 -1.842 18318
1170 1 3 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.888 0.212 18318
1171 1 3 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.087 0.113 18318
1172 1 3 . 1 1 77 77 ALA H H 74 8.320 8.320 8.102 0.218 18318
1173 1 3 . 1 1 78 78 ALA N N 75 124.400 124.400 122.003 2.397 18318
1174 1 3 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.699 -0.319 18318
1175 1 3 . 1 1 78 78 ALA C C 75 177.200 177.200 178.196 -0.996 18318
1176 1 3 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.354 0.046 18318
1177 1 3 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.257 -1.257 18318
1178 1 3 . 1 1 78 78 ALA H H 75 7.900 7.900 7.445 0.455 18318
1179 1 3 . 1 1 79 79 VAL N N 76 118.400 118.400 116.144 2.256 18318
1180 1 3 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.096 -0.306 18318
1181 1 3 . 1 1 79 79 VAL CA C 76 65.100 65.100 62.981 2.119 18318
1182 1 3 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.491 -0.191 18318
1183 1 3 . 1 1 79 79 VAL H H 76 8.100 8.100 7.639 0.461 18318
1184 1 3 . 1 1 80 80 GLY C C 77 175.900 175.900 175.104 0.796 18318
1185 1 3 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.682 -0.282 18318
1186 1 3 . 1 1 81 81 ASN N N 78 119.300 119.300 117.734 1.566 18318
1187 1 3 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.947 -0.347 18318
1188 1 3 . 1 1 81 81 ASN C C 78 176.700 176.700 174.233 2.467 18318
1189 1 3 . 1 1 81 81 ASN CA C 78 54.500 54.500 55.005 -0.505 18318
1190 1 3 . 1 1 81 81 ASN CB C 78 37.300 37.300 41.252 -3.952 18318
1191 1 3 . 1 1 81 81 ASN H H 78 8.200 8.200 7.660 0.540 18318
1192 1 3 . 1 1 82 82 CYS N N 79 117.200 117.200 112.602 4.598 18318
1193 1 3 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.898 0.502 18318
1194 1 3 . 1 1 82 82 CYS C C 79 175.800 175.800 172.579 3.221 18318
1195 1 3 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.081 -2.581 18318
1196 1 3 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.327 8.973 18318
1197 1 3 . 1 1 82 82 CYS H H 79 8.330 8.330 7.591 0.739 18318
1198 1 3 . 1 1 83 83 ALA N N 80 125.000 125.000 123.971 1.029 18318
1199 1 3 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.660 -0.510 18318
1200 1 3 . 1 1 83 83 ALA C C 80 179.900 179.900 177.198 2.702 18318
1201 1 3 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.017 5.183 18318
1202 1 3 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.725 -2.525 18318
1203 1 3 . 1 1 83 83 ALA H H 80 7.700 7.700 8.062 -0.362 18318
1204 1 3 . 1 1 84 84 GLU N N 81 118.900 118.900 120.994 -2.094 18318
1205 1 3 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.095 -0.145 18318
1206 1 3 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.414 -0.414 18318
1207 1 3 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.885 -0.985 18318
1208 1 3 . 1 1 84 84 GLU H H 81 8.920 8.920 8.777 0.143 18318
1209 1 3 . 1 1 85 85 HIS C C 82 178.500 178.500 177.347 1.153 18318
1210 1 3 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.257 -3.157 18318
1211 1 3 . 1 1 86 86 MET N N 83 118.800 118.800 117.385 1.415 18318
1212 1 3 . 1 1 86 86 MET C C 83 177.200 177.200 178.296 -1.096 18318
1213 1 3 . 1 1 86 86 MET CA C 83 58.900 58.900 59.287 -0.387 18318
1214 1 3 . 1 1 86 86 MET CB C 83 31.300 31.300 32.340 -1.040 18318
1215 1 3 . 1 1 86 86 MET H H 83 7.460 7.460 8.506 -1.046 18318
1216 1 3 . 1 1 87 87 ARG N N 84 119.500 119.500 117.799 1.701 18318
1217 1 3 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.857 0.053 18318
1218 1 3 . 1 1 87 87 ARG C C 84 178.600 178.600 178.301 0.299 18318
1219 1 3 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.065 1.835 18318
1220 1 3 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.842 0.658 18318
1221 1 3 . 1 1 87 87 ARG H H 84 8.220 8.220 7.414 0.806 18318
1222 1 3 . 1 1 88 88 ARG N N 85 117.900 117.900 119.448 -1.548 18318
1223 1 3 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.364 -0.444 18318
1224 1 3 . 1 1 88 88 ARG C C 85 179.700 179.700 178.964 0.736 18318
1225 1 3 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.991 -0.491 18318
1226 1 3 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.040 -0.040 18318
1227 1 3 . 1 1 88 88 ARG H H 85 8.100 8.100 8.399 -0.299 18318
1228 1 3 . 1 1 89 89 PHE N N 86 119.700 119.700 119.171 0.529 18318
1229 1 3 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.266 0.084 18318
1230 1 3 . 1 1 89 89 PHE C C 86 175.600 175.600 176.756 -1.156 18318
1231 1 3 . 1 1 89 89 PHE CA C 86 61.100 61.100 59.096 2.004 18318
1232 1 3 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.028 -1.228 18318
1233 1 3 . 1 1 89 89 PHE H H 86 7.930 7.930 8.171 -0.241 18318
1234 1 3 . 1 1 90 90 LEU N N 87 120.400 120.400 119.470 0.930 18318
1235 1 3 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.977 -0.267 18318
1236 1 3 . 1 1 90 90 LEU C C 87 179.200 179.200 178.408 0.792 18318
1237 1 3 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.307 0.393 18318
1238 1 3 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.218 -1.918 18318
1239 1 3 . 1 1 90 90 LEU H H 87 8.640 8.640 7.011 1.629 18318
1240 1 3 . 1 1 91 91 GLN N N 88 118.200 118.200 119.133 -0.933 18318
1241 1 3 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.160 -0.120 18318
1242 1 3 . 1 1 91 91 GLN C C 88 178.000 178.000 178.449 -0.449 18318
1243 1 3 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.095 -0.395 18318
1244 1 3 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.740 -0.740 18318
1245 1 3 . 1 1 91 91 GLN H H 88 8.380 8.380 8.855 -0.475 18318
1246 1 3 . 1 1 92 92 CYS N N 89 119.000 119.000 117.359 1.641 18318
1247 1 3 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.347 -0.297 18318
1248 1 3 . 1 1 92 92 CYS C C 89 176.600 176.600 176.648 -0.048 18318
1249 1 3 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.941 -1.841 18318
1250 1 3 . 1 1 92 92 CYS CB C 89 39.500 39.500 26.127 13.373 18318
1251 1 3 . 1 1 92 92 CYS H H 89 7.390 7.390 7.821 -0.431 18318
1252 1 3 . 1 1 93 93 ALA N N 90 122.900 122.900 120.708 2.192 18318
1253 1 3 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.053 -0.143 18318
1254 1 3 . 1 1 93 93 ALA C C 90 179.200 179.200 179.740 -0.540 18318
1255 1 3 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.535 0.165 18318
1256 1 3 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.040 -0.240 18318
1257 1 3 . 1 1 93 93 ALA H H 90 8.410 8.410 7.487 0.923 18318
1258 1 3 . 1 1 94 94 GLU N N 91 115.800 115.800 118.831 -3.031 18318
1259 1 3 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.190 -0.040 18318
1260 1 3 . 1 1 94 94 GLU C C 91 177.400 177.400 178.046 -0.646 18318
1261 1 3 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.142 -0.242 18318
1262 1 3 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.300 -0.900 18318
1263 1 3 . 1 1 94 94 GLU H H 91 7.880 7.880 7.610 0.270 18318
1264 1 3 . 1 1 95 95 GLN N N 92 115.500 115.500 117.894 -2.394 18318
1265 1 3 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.462 -0.172 18318
1266 1 3 . 1 1 95 95 GLN C C 92 176.600 176.600 175.734 0.866 18318
1267 1 3 . 1 1 95 95 GLN CA C 92 56.300 56.300 54.734 1.566 18318
1268 1 3 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.148 -0.248 18318
1269 1 3 . 1 1 95 95 GLN H H 92 7.450 7.450 8.012 -0.562 18318
1270 1 4 . 1 1 15 15 CYS N N 12 117.500 117.500 125.707 -8.207 18318
1271 1 4 . 1 1 15 15 CYS C C 12 175.500 175.500 174.394 1.106 18318
1272 1 4 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.688 -4.988 18318
1273 1 4 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.314 6.386 18318
1274 1 4 . 1 1 15 15 CYS H H 12 8.280 8.280 8.456 -0.176 18318
1275 1 4 . 1 1 16 16 GLY N N 13 108.700 108.700 112.371 -3.671 18318
1276 1 4 . 1 1 16 16 GLY C C 13 176.600 176.600 175.302 1.298 18318
1277 1 4 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.097 0.803 18318
1278 1 4 . 1 1 16 16 GLY H H 13 8.080 8.080 8.820 -0.740 18318
1279 1 4 . 1 1 17 17 ARG N N 14 123.300 123.300 119.436 3.864 18318
1280 1 4 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.127 -0.167 18318
1281 1 4 . 1 1 17 17 ARG C C 14 179.300 179.300 177.816 1.484 18318
1282 1 4 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.162 1.038 18318
1283 1 4 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.469 -0.369 18318
1284 1 4 . 1 1 17 17 ARG H H 14 8.630 8.630 8.404 0.226 18318
1285 1 4 . 1 1 18 18 GLU N N 15 121.900 121.900 121.172 0.728 18318
1286 1 4 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.343 -0.173 18318
1287 1 4 . 1 1 18 18 GLU C C 15 177.900 177.900 178.468 -0.568 18318
1288 1 4 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.111 1.988 18318
1289 1 4 . 1 1 18 18 GLU CB C 15 28.200 28.200 30.204 -2.005 18318
1290 1 4 . 1 1 18 18 GLU H H 15 9.670 9.670 7.522 2.148 18318
1291 1 4 . 1 1 19 19 LEU N N 16 119.400 119.400 120.318 -0.918 18318
1292 1 4 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.628 2.272 18318
1293 1 4 . 1 1 19 19 LEU H H 16 8.090 8.090 7.662 0.428 18318
1294 1 4 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.115 -0.435 18318
1295 1 4 . 1 1 20 20 GLU C C 17 177.200 177.200 178.856 -1.656 18318
1296 1 4 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.227 0.073 18318
1297 1 4 . 1 1 20 20 GLU CB C 17 29.000 29.000 30.071 -1.071 18318
1298 1 4 . 1 1 21 21 GLN N N 18 118.500 118.500 118.719 -0.219 18318
1299 1 4 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.093 -0.053 18318
1300 1 4 . 1 1 21 21 GLN C C 18 177.200 177.200 178.518 -1.318 18318
1301 1 4 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.687 0.313 18318
1302 1 4 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.704 -0.004 18318
1303 1 4 . 1 1 21 21 GLN H H 18 8.560 8.560 7.861 0.699 18318
1304 1 4 . 1 1 22 22 TYR N N 19 120.700 120.700 122.039 -1.339 18318
1305 1 4 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.646 -0.366 18318
1306 1 4 . 1 1 22 22 TYR C C 19 176.600 176.600 177.464 -0.864 18318
1307 1 4 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.630 1.470 18318
1308 1 4 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.566 0.334 18318
1309 1 4 . 1 1 22 22 TYR H H 19 8.120 8.120 8.858 -0.738 18318
1310 1 4 . 1 1 23 23 GLY N N 20 105.600 105.600 107.716 -2.116 18318
1311 1 4 . 1 1 23 23 GLY C C 20 176.700 176.700 175.913 0.787 18318
1312 1 4 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.932 0.168 18318
1313 1 4 . 1 1 23 23 GLY H H 20 8.390 8.390 7.529 0.861 18318
1314 1 4 . 1 1 24 24 GLN N N 21 120.300 120.300 120.224 0.076 18318
1315 1 4 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.127 -0.077 18318
1316 1 4 . 1 1 24 24 GLN C C 21 178.000 178.000 178.497 -0.497 18318
1317 1 4 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.471 0.129 18318
1318 1 4 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.791 -1.190 18318
1319 1 4 . 1 1 24 24 GLN H H 21 8.130 8.130 7.793 0.337 18318
1320 1 4 . 1 1 25 25 CYS N N 22 121.500 121.500 118.648 2.852 18318
1321 1 4 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.232 0.048 18318
1322 1 4 . 1 1 25 25 CYS C C 22 175.400 175.400 176.601 -1.201 18318
1323 1 4 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.864 -2.264 18318
1324 1 4 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.701 13.199 18318
1325 1 4 . 1 1 25 25 CYS H H 22 7.610 7.610 7.652 -0.042 18318
1326 1 4 . 1 1 26 26 VAL N N 23 119.900 119.900 119.985 -0.085 18318
1327 1 4 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.064 -0.274 18318
1328 1 4 . 1 1 26 26 VAL C C 23 177.100 177.100 176.867 0.233 18318
1329 1 4 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.077 0.823 18318
1330 1 4 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.857 -2.557 18318
1331 1 4 . 1 1 26 26 VAL H H 23 8.040 8.040 8.003 0.037 18318
1332 1 4 . 1 1 27 27 ALA N N 24 117.400 117.400 121.443 -4.043 18318
1333 1 4 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.114 -0.014 18318
1334 1 4 . 1 1 27 27 ALA C C 24 178.600 178.600 178.666 -0.066 18318
1335 1 4 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.485 -0.385 18318
1336 1 4 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.700 -0.800 18318
1337 1 4 . 1 1 27 27 ALA H H 24 7.430 7.430 7.758 -0.328 18318
1338 1 4 . 1 1 28 28 ALA N N 25 116.100 116.100 120.664 -4.564 18318
1339 1 4 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.170 0.160 18318
1340 1 4 . 1 1 28 28 ALA C C 25 178.100 178.100 178.129 -0.029 18318
1341 1 4 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.803 -1.203 18318
1342 1 4 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.593 -0.493 18318
1343 1 4 . 1 1 28 28 ALA H H 25 7.120 7.120 7.550 -0.430 18318
1344 1 4 . 1 1 29 29 LYS N N 26 119.200 119.200 113.945 5.255 18318
1345 1 4 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.497 5.203 18318
1346 1 4 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.811 -2.711 18318
1347 1 4 . 1 1 29 29 LYS H H 26 7.560 7.560 7.558 0.002 18318
1348 1 4 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.361 -0.151 18318
1349 1 4 . 1 1 30 30 PRO C C 27 177.000 177.000 178.359 -1.359 18318
1350 1 4 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.445 0.455 18318
1351 1 4 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.034 -0.434 18318
1352 1 4 . 1 1 31 31 GLU N N 28 114.600 114.600 118.755 -4.155 18318
1353 1 4 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.411 0.039 18318
1354 1 4 . 1 1 31 31 GLU C C 28 176.100 176.100 178.623 -2.523 18318
1355 1 4 . 1 1 31 31 GLU CA C 28 57.200 57.200 57.974 -0.774 18318
1356 1 4 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.896 0.704 18318
1357 1 4 . 1 1 31 31 GLU H H 28 8.770 8.770 8.867 -0.097 18318
1358 1 4 . 1 1 32 32 SER N N 29 111.000 111.000 115.663 -4.663 18318
1359 1 4 . 1 1 32 32 SER HA H 29 4.510 4.510 4.233 0.277 18318
1360 1 4 . 1 1 32 32 SER C C 29 176.600 176.600 175.956 0.644 18318
1361 1 4 . 1 1 32 32 SER CA C 29 58.500 58.500 60.574 -2.074 18318
1362 1 4 . 1 1 32 32 SER CB C 29 63.800 63.800 62.782 1.018 18318
1363 1 4 . 1 1 32 32 SER H H 29 7.750 7.750 8.483 -0.733 18318
1364 1 4 . 1 1 33 33 TRP N N 30 125.000 125.000 123.320 1.680 18318
1365 1 4 . 1 1 33 33 TRP C C 30 177.200 177.200 177.167 0.033 18318
1366 1 4 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.849 -0.849 18318
1367 1 4 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.049 0.451 18318
1368 1 4 . 1 1 33 33 TRP H H 30 7.820 7.820 7.734 0.086 18318
1369 1 4 . 1 1 34 34 GLN N N 31 123.600 123.600 118.078 5.522 18318
1370 1 4 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.086 0.364 18318
1371 1 4 . 1 1 34 34 GLN C C 31 176.800 176.800 178.340 -1.540 18318
1372 1 4 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.857 2.043 18318
1373 1 4 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.286 -2.786 18318
1374 1 4 . 1 1 34 34 GLN H H 31 8.240 8.240 7.722 0.518 18318
1375 1 4 . 1 1 35 35 ARG N N 32 115.900 115.900 118.878 -2.978 18318
1376 1 4 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.011 0.269 18318
1377 1 4 . 1 1 35 35 ARG C C 32 178.900 178.900 178.046 0.854 18318
1378 1 4 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.987 -1.587 18318
1379 1 4 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.321 0.979 18318
1380 1 4 . 1 1 35 35 ARG H H 32 7.450 7.450 7.627 -0.177 18318
1381 1 4 . 1 1 36 36 ASP N N 33 117.700 117.700 118.848 -1.148 18318
1382 1 4 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.578 -0.438 18318
1383 1 4 . 1 1 36 36 ASP C C 33 177.600 177.600 176.963 0.637 18318
1384 1 4 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.735 0.465 18318
1385 1 4 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.968 -1.068 18318
1386 1 4 . 1 1 36 36 ASP H H 33 8.760 8.760 8.101 0.659 18318
1387 1 4 . 1 1 37 37 CYS N N 34 113.300 113.300 118.643 -5.343 18318
1388 1 4 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.644 0.756 18318
1389 1 4 . 1 1 37 37 CYS C C 34 175.800 175.800 175.078 0.722 18318
1390 1 4 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.287 -5.187 18318
1391 1 4 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.027 14.473 18318
1392 1 4 . 1 1 37 37 CYS H H 34 8.260 8.260 7.687 0.573 18318
1393 1 4 . 1 1 38 38 HIS N N 35 124.200 124.200 125.241 -1.041 18318
1394 1 4 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.344 0.006 18318
1395 1 4 . 1 1 38 38 HIS C C 35 177.400 177.400 175.913 1.487 18318
1396 1 4 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.014 1.986 18318
1397 1 4 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.802 -0.202 18318
1398 1 4 . 1 1 38 38 HIS H H 35 7.520 7.520 7.910 -0.390 18318
1399 1 4 . 1 1 39 39 TYR N N 36 117.100 117.100 117.611 -0.511 18318
1400 1 4 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.196 0.104 18318
1401 1 4 . 1 1 39 39 TYR C C 36 177.700 177.700 176.431 1.269 18318
1402 1 4 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.951 -0.351 18318
1403 1 4 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.064 -1.864 18318
1404 1 4 . 1 1 39 39 TYR H H 36 8.930 8.930 8.675 0.255 18318
1405 1 4 . 1 1 40 40 LEU N N 37 122.000 122.000 117.893 4.107 18318
1406 1 4 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.098 0.072 18318
1407 1 4 . 1 1 40 40 LEU C C 37 179.400 179.400 178.468 0.932 18318
1408 1 4 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.367 -0.868 18318
1409 1 4 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.818 0.582 18318
1410 1 4 . 1 1 40 40 LEU H H 37 6.940 6.940 7.936 -0.996 18318
1411 1 4 . 1 1 41 41 LYS N N 38 125.300 125.300 119.095 6.205 18318
1412 1 4 . 1 1 41 41 LYS C C 38 179.600 179.600 178.942 0.658 18318
1413 1 4 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.517 1.083 18318
1414 1 4 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.065 -0.065 18318
1415 1 4 . 1 1 41 41 LYS H H 38 7.880 7.880 7.266 0.614 18318
1416 1 4 . 1 1 42 42 MET N N 39 117.600 117.600 117.414 0.186 18318
1417 1 4 . 1 1 42 42 MET HA H 39 4.120 4.120 4.392 -0.272 18318
1418 1 4 . 1 1 42 42 MET C C 39 178.900 178.900 177.683 1.217 18318
1419 1 4 . 1 1 42 42 MET CA C 39 57.200 57.200 57.144 0.056 18318
1420 1 4 . 1 1 42 42 MET CB C 39 30.000 30.000 32.459 -2.459 18318
1421 1 4 . 1 1 42 42 MET H H 39 8.090 8.090 7.534 0.556 18318
1422 1 4 . 1 1 43 43 SER N N 40 115.900 115.900 116.677 -0.777 18318
1423 1 4 . 1 1 43 43 SER HA H 40 4.290 4.290 4.281 0.009 18318
1424 1 4 . 1 1 43 43 SER C C 40 177.400 177.400 176.437 0.963 18318
1425 1 4 . 1 1 43 43 SER CA C 40 61.700 61.700 62.244 -0.544 18318
1426 1 4 . 1 1 43 43 SER CB C 40 62.500 62.500 63.476 -0.976 18318
1427 1 4 . 1 1 43 43 SER H H 40 7.600 7.600 7.799 -0.199 18318
1428 1 4 . 1 1 44 44 ILE N N 41 121.900 121.900 117.883 4.017 18318
1429 1 4 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.952 -0.412 18318
1430 1 4 . 1 1 44 44 ILE C C 41 177.500 177.500 177.091 0.409 18318
1431 1 4 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.179 1.921 18318
1432 1 4 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.582 0.318 18318
1433 1 4 . 1 1 44 44 ILE H H 41 7.540 7.540 7.917 -0.377 18318
1434 1 4 . 1 1 45 45 ALA N N 42 122.600 122.600 122.128 0.472 18318
1435 1 4 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.033 0.147 18318
1436 1 4 . 1 1 45 45 ALA C C 42 180.200 180.200 179.997 0.203 18318
1437 1 4 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.337 -0.537 18318
1438 1 4 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.092 -0.792 18318
1439 1 4 . 1 1 45 45 ALA H H 42 7.420 7.420 7.881 -0.461 18318
1440 1 4 . 1 1 46 46 GLN N N 43 118.400 118.400 117.221 1.179 18318
1441 1 4 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.189 -0.219 18318
1442 1 4 . 1 1 46 46 GLN C C 43 178.500 178.500 178.003 0.497 18318
1443 1 4 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.143 0.557 18318
1444 1 4 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.726 -0.926 18318
1445 1 4 . 1 1 46 46 GLN H H 43 8.290 8.290 7.964 0.326 18318
1446 1 4 . 1 1 47 47 CYS N N 44 119.500 119.500 119.783 -0.283 18318
1447 1 4 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.208 -0.118 18318
1448 1 4 . 1 1 47 47 CYS C C 44 176.500 176.500 176.900 -0.400 18318
1449 1 4 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.403 -2.103 18318
1450 1 4 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.435 13.465 18318
1451 1 4 . 1 1 47 47 CYS H H 44 7.590 7.590 7.857 -0.267 18318
1452 1 4 . 1 1 48 48 THR N N 45 113.000 113.000 116.193 -3.193 18318
1453 1 4 . 1 1 48 48 THR C C 45 175.900 175.900 176.618 -0.718 18318
1454 1 4 . 1 1 48 48 THR CA C 45 65.400 65.400 65.633 -0.233 18318
1455 1 4 . 1 1 48 48 THR CB C 45 68.800 68.800 68.835 -0.035 18318
1456 1 4 . 1 1 48 48 THR H H 45 8.810 8.810 7.791 1.019 18318
1457 1 4 . 1 1 49 49 SER N N 46 113.200 113.200 117.078 -3.878 18318
1458 1 4 . 1 1 49 49 SER HA H 46 4.380 4.380 4.220 0.160 18318
1459 1 4 . 1 1 49 49 SER C C 46 175.600 175.600 175.831 -0.231 18318
1460 1 4 . 1 1 49 49 SER CA C 46 60.000 60.000 60.968 -0.968 18318
1461 1 4 . 1 1 49 49 SER CB C 46 63.900 63.900 63.261 0.638 18318
1462 1 4 . 1 1 49 49 SER H H 46 7.890 7.890 7.818 0.072 18318
1463 1 4 . 1 1 50 50 SER N N 47 114.100 114.100 114.582 -0.482 18318
1464 1 4 . 1 1 50 50 SER HA H 47 4.390 4.390 4.471 -0.081 18318
1465 1 4 . 1 1 50 50 SER CA C 47 59.100 59.100 58.825 0.275 18318
1466 1 4 . 1 1 50 50 SER CB C 47 64.800 64.800 64.182 0.618 18318
1467 1 4 . 1 1 50 50 SER H H 47 7.770 7.770 7.561 0.209 18318
1468 1 4 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.144 0.446 18318
1469 1 4 . 1 1 55 55 ARG C C 52 178.500 178.500 177.682 0.818 18318
1470 1 4 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.532 1.468 18318
1471 1 4 . 1 1 56 56 GLN N N 53 117.700 117.700 117.508 0.192 18318
1472 1 4 . 1 1 56 56 GLN C C 53 175.000 175.000 178.099 -3.099 18318
1473 1 4 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.808 1.392 18318
1474 1 4 . 1 1 56 56 GLN H H 53 8.110 8.110 8.674 -0.564 18318
1475 1 4 . 1 1 57 57 ILE N N 54 121.200 121.200 119.531 1.669 18318
1476 1 4 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.683 -0.363 18318
1477 1 4 . 1 1 57 57 ILE C C 54 178.700 178.700 177.916 0.784 18318
1478 1 4 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.572 1.428 18318
1479 1 4 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.619 0.081 18318
1480 1 4 . 1 1 57 57 ILE H H 54 7.820 7.820 7.386 0.434 18318
1481 1 4 . 1 1 58 58 ARG N N 55 118.900 118.900 118.238 0.662 18318
1482 1 4 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.981 0.329 18318
1483 1 4 . 1 1 58 58 ARG C C 55 178.600 178.600 177.223 1.377 18318
1484 1 4 . 1 1 58 58 ARG CA C 55 59.900 59.900 57.841 2.059 18318
1485 1 4 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.361 1.139 18318
1486 1 4 . 1 1 58 58 ARG H H 55 8.250 8.250 7.732 0.518 18318
1487 1 4 . 1 1 59 59 GLN N N 56 115.800 115.800 118.186 -2.386 18318
1488 1 4 . 1 1 59 59 GLN C C 56 178.100 178.100 177.269 0.831 18318
1489 1 4 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.587 -0.587 18318
1490 1 4 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.651 0.149 18318
1491 1 4 . 1 1 59 59 GLN H H 56 7.920 7.920 7.545 0.375 18318
1492 1 4 . 1 1 60 60 ALA N N 57 121.600 121.600 120.277 1.323 18318
1493 1 4 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.035 0.145 18318
1494 1 4 . 1 1 60 60 ALA C C 57 179.600 179.600 178.489 1.111 18318
1495 1 4 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.516 -0.016 18318
1496 1 4 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.986 -0.087 18318
1497 1 4 . 1 1 60 60 ALA H H 57 8.490 8.490 7.371 1.119 18318
1498 1 4 . 1 1 61 61 CYS N N 58 114.000 114.000 116.630 -2.630 18318
1499 1 4 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.476 0.654 18318
1500 1 4 . 1 1 61 61 CYS C C 58 175.000 175.000 174.850 0.150 18318
1501 1 4 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.959 -7.259 18318
1502 1 4 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.254 15.546 18318
1503 1 4 . 1 1 61 61 CYS H H 58 8.370 8.370 8.230 0.140 18318
1504 1 4 . 1 1 62 62 ALA N N 59 124.900 124.900 127.371 -2.471 18318
1505 1 4 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.469 -0.199 18318
1506 1 4 . 1 1 62 62 ALA C C 59 179.200 179.200 178.393 0.807 18318
1507 1 4 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.894 3.606 18318
1508 1 4 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.938 -1.138 18318
1509 1 4 . 1 1 62 62 ALA H H 59 7.200 7.200 8.348 -1.148 18318
1510 1 4 . 1 1 63 63 GLN N N 60 115.800 115.800 119.774 -3.974 18318
1511 1 4 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.018 0.462 18318
1512 1 4 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.986 0.214 18318
1513 1 4 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.048 -2.348 18318
1514 1 4 . 1 1 63 63 GLN H H 60 9.040 9.040 8.838 0.202 18318
1515 1 4 . 1 1 64 64 PRO C C 61 179.700 179.700 177.802 1.898 18318
1516 1 4 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.089 0.511 18318
1517 1 4 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.048 -0.248 18318
1518 1 4 . 1 1 65 65 PHE N N 62 120.500 120.500 118.665 1.835 18318
1519 1 4 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.258 0.022 18318
1520 1 4 . 1 1 65 65 PHE C C 62 176.400 176.400 176.699 -0.299 18318
1521 1 4 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.283 3.116 18318
1522 1 4 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.782 -0.182 18318
1523 1 4 . 1 1 65 65 PHE H H 62 8.500 8.500 8.194 0.306 18318
1524 1 4 . 1 1 66 66 GLU N N 63 120.200 120.200 121.007 -0.807 18318
1525 1 4 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.589 0.441 18318
1526 1 4 . 1 1 66 66 GLU C C 63 179.300 179.300 178.239 1.061 18318
1527 1 4 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.214 -0.014 18318
1528 1 4 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.516 -1.016 18318
1529 1 4 . 1 1 66 66 GLU H H 63 8.900 8.900 8.269 0.631 18318
1530 1 4 . 1 1 67 67 ALA N N 64 120.600 120.600 121.975 -1.375 18318
1531 1 4 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.892 -0.022 18318
1532 1 4 . 1 1 67 67 ALA C C 64 180.500 180.500 179.787 0.713 18318
1533 1 4 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.874 -0.174 18318
1534 1 4 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.997 0.103 18318
1535 1 4 . 1 1 67 67 ALA H H 64 8.150 8.150 7.212 0.938 18318
1536 1 4 . 1 1 68 68 PHE N N 65 120.000 120.000 116.170 3.830 18318
1537 1 4 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.175 0.145 18318
1538 1 4 . 1 1 68 68 PHE C C 65 175.400 175.400 177.606 -2.206 18318
1539 1 4 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.362 0.438 18318
1540 1 4 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.976 0.024 18318
1541 1 4 . 1 1 68 68 PHE H H 65 7.810 7.810 6.953 0.857 18318
1542 1 4 . 1 1 69 69 GLU N N 66 119.400 119.400 120.103 -0.703 18318
1543 1 4 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.854 0.316 18318
1544 1 4 . 1 1 69 69 GLU C C 66 178.800 178.800 178.558 0.242 18318
1545 1 4 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.079 1.121 18318
1546 1 4 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.048 0.052 18318
1547 1 4 . 1 1 69 69 GLU H H 66 8.330 8.330 7.614 0.716 18318
1548 1 4 . 1 1 70 70 GLU N N 67 118.600 118.600 119.071 -0.471 18318
1549 1 4 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.106 -0.136 18318
1550 1 4 . 1 1 70 70 GLU C C 67 177.700 177.700 178.480 -0.780 18318
1551 1 4 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.174 -0.374 18318
1552 1 4 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.673 -0.973 18318
1553 1 4 . 1 1 70 70 GLU H H 67 8.240 8.240 7.944 0.296 18318
1554 1 4 . 1 1 71 71 CYS N N 68 119.100 119.100 118.451 0.649 18318
1555 1 4 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.227 -0.147 18318
1556 1 4 . 1 1 71 71 CYS C C 68 177.900 177.900 177.482 0.418 18318
1557 1 4 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.331 -2.732 18318
1558 1 4 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.553 12.447 18318
1559 1 4 . 1 1 71 71 CYS H H 68 7.580 7.580 7.443 0.137 18318
1560 1 4 . 1 1 72 72 LEU N N 69 122.000 122.000 118.581 3.419 18318
1561 1 4 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.253 -0.553 18318
1562 1 4 . 1 1 72 72 LEU C C 69 179.300 179.300 178.853 0.447 18318
1563 1 4 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.163 0.437 18318
1564 1 4 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.547 -0.547 18318
1565 1 4 . 1 1 72 72 LEU H H 69 8.090 8.090 7.831 0.259 18318
1566 1 4 . 1 1 73 73 ARG N N 70 117.400 117.400 118.935 -1.535 18318
1567 1 4 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.977 0.033 18318
1568 1 4 . 1 1 73 73 ARG C C 70 178.500 178.500 178.113 0.387 18318
1569 1 4 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.518 0.182 18318
1570 1 4 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.904 0.196 18318
1571 1 4 . 1 1 73 73 ARG H H 70 7.600 7.600 7.460 0.140 18318
1572 1 4 . 1 1 74 74 GLN N N 71 115.800 115.800 116.117 -0.317 18318
1573 1 4 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.387 -0.097 18318
1574 1 4 . 1 1 74 74 GLN C C 71 176.200 176.200 176.570 -0.370 18318
1575 1 4 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.990 -0.590 18318
1576 1 4 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.359 -1.159 18318
1577 1 4 . 1 1 74 74 GLN H H 71 7.580 7.580 7.715 -0.135 18318
1578 1 4 . 1 1 75 75 ASN N N 72 118.600 118.600 120.667 -2.067 18318
1579 1 4 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.944 0.046 18318
1580 1 4 . 1 1 75 75 ASN C C 72 174.800 174.800 175.247 -0.447 18318
1581 1 4 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.573 0.427 18318
1582 1 4 . 1 1 75 75 ASN CB C 72 39.800 39.800 37.732 2.068 18318
1583 1 4 . 1 1 75 75 ASN H H 72 7.750 7.750 8.461 -0.711 18318
1584 1 4 . 1 1 76 76 GLU N N 73 120.200 120.200 121.883 -1.683 18318
1585 1 4 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.994 -0.034 18318
1586 1 4 . 1 1 76 76 GLU C C 73 176.800 176.800 176.762 0.038 18318
1587 1 4 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.052 0.148 18318
1588 1 4 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.286 -0.186 18318
1589 1 4 . 1 1 76 76 GLU H H 73 7.950 7.950 7.992 -0.042 18318
1590 1 4 . 1 1 77 77 ALA N N 74 119.200 119.200 120.552 -1.352 18318
1591 1 4 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.443 -0.083 18318
1592 1 4 . 1 1 77 77 ALA C C 74 175.400 175.400 177.122 -1.722 18318
1593 1 4 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.698 0.402 18318
1594 1 4 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.154 0.046 18318
1595 1 4 . 1 1 77 77 ALA H H 74 8.320 8.320 8.081 0.239 18318
1596 1 4 . 1 1 78 78 ALA N N 75 124.400 124.400 122.752 1.648 18318
1597 1 4 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.689 -0.309 18318
1598 1 4 . 1 1 78 78 ALA C C 75 177.200 177.200 178.295 -1.095 18318
1599 1 4 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.657 -0.257 18318
1600 1 4 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.540 -1.540 18318
1601 1 4 . 1 1 78 78 ALA H H 75 7.900 7.900 7.431 0.469 18318
1602 1 4 . 1 1 79 79 VAL N N 76 118.400 118.400 119.108 -0.708 18318
1603 1 4 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.157 -0.367 18318
1604 1 4 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.845 1.255 18318
1605 1 4 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.549 0.750 18318
1606 1 4 . 1 1 79 79 VAL H H 76 8.100 8.100 8.306 -0.206 18318
1607 1 4 . 1 1 80 80 GLY C C 77 175.900 175.900 175.664 0.236 18318
1608 1 4 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.294 0.106 18318
1609 1 4 . 1 1 81 81 ASN N N 78 119.300 119.300 118.415 0.885 18318
1610 1 4 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.792 -0.192 18318
1611 1 4 . 1 1 81 81 ASN C C 78 176.700 176.700 174.933 1.767 18318
1612 1 4 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.438 1.062 18318
1613 1 4 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.860 -2.560 18318
1614 1 4 . 1 1 81 81 ASN H H 78 8.200 8.200 8.053 0.147 18318
1615 1 4 . 1 1 82 82 CYS N N 79 117.200 117.200 114.995 2.205 18318
1616 1 4 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.883 0.517 18318
1617 1 4 . 1 1 82 82 CYS C C 79 175.800 175.800 172.522 3.278 18318
1618 1 4 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.370 -2.870 18318
1619 1 4 . 1 1 82 82 CYS CB C 79 39.300 39.300 31.538 7.762 18318
1620 1 4 . 1 1 82 82 CYS H H 79 8.330 8.330 7.606 0.724 18318
1621 1 4 . 1 1 83 83 ALA N N 80 125.000 125.000 124.254 0.746 18318
1622 1 4 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.791 -0.641 18318
1623 1 4 . 1 1 83 83 ALA C C 80 179.900 179.900 177.425 2.475 18318
1624 1 4 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.819 5.381 18318
1625 1 4 . 1 1 83 83 ALA CB C 80 18.200 18.200 18.473 -0.273 18318
1626 1 4 . 1 1 83 83 ALA H H 80 7.700 7.700 8.661 -0.961 18318
1627 1 4 . 1 1 84 84 GLU N N 81 118.900 118.900 126.189 -7.289 18318
1628 1 4 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.782 0.168 18318
1629 1 4 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.727 -0.727 18318
1630 1 4 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.918 -0.018 18318
1631 1 4 . 1 1 84 84 GLU H H 81 8.920 8.920 8.776 0.144 18318
1632 1 4 . 1 1 85 85 HIS C C 82 178.500 178.500 176.944 1.556 18318
1633 1 4 . 1 1 85 85 HIS CA C 82 56.100 56.100 60.329 -4.229 18318
1634 1 4 . 1 1 86 86 MET N N 83 118.800 118.800 118.106 0.694 18318
1635 1 4 . 1 1 86 86 MET C C 83 177.200 177.200 178.359 -1.159 18318
1636 1 4 . 1 1 86 86 MET CA C 83 58.900 58.900 58.374 0.526 18318
1637 1 4 . 1 1 86 86 MET CB C 83 31.300 31.300 32.499 -1.199 18318
1638 1 4 . 1 1 86 86 MET H H 83 7.460 7.460 7.783 -0.323 18318
1639 1 4 . 1 1 87 87 ARG N N 84 119.500 119.500 118.826 0.674 18318
1640 1 4 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.738 0.172 18318
1641 1 4 . 1 1 87 87 ARG C C 84 178.600 178.600 178.146 0.454 18318
1642 1 4 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.831 1.069 18318
1643 1 4 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.406 1.094 18318
1644 1 4 . 1 1 87 87 ARG H H 84 8.220 8.220 8.502 -0.282 18318
1645 1 4 . 1 1 88 88 ARG N N 85 117.900 117.900 119.857 -1.957 18318
1646 1 4 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.144 -0.224 18318
1647 1 4 . 1 1 88 88 ARG C C 85 179.700 179.700 178.508 1.192 18318
1648 1 4 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.206 -0.706 18318
1649 1 4 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.154 -0.154 18318
1650 1 4 . 1 1 88 88 ARG H H 85 8.100 8.100 8.044 0.056 18318
1651 1 4 . 1 1 89 89 PHE N N 86 119.700 119.700 118.987 0.713 18318
1652 1 4 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.292 0.058 18318
1653 1 4 . 1 1 89 89 PHE C C 86 175.600 175.600 177.659 -2.059 18318
1654 1 4 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.654 0.446 18318
1655 1 4 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.238 -1.438 18318
1656 1 4 . 1 1 89 89 PHE H H 86 7.930 7.930 7.536 0.394 18318
1657 1 4 . 1 1 90 90 LEU N N 87 120.400 120.400 120.877 -0.477 18318
1658 1 4 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.948 -0.238 18318
1659 1 4 . 1 1 90 90 LEU C C 87 179.200 179.200 178.547 0.653 18318
1660 1 4 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.294 -0.594 18318
1661 1 4 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.939 -1.639 18318
1662 1 4 . 1 1 90 90 LEU H H 87 8.640 8.640 8.328 0.312 18318
1663 1 4 . 1 1 91 91 GLN N N 88 118.200 118.200 118.625 -0.425 18318
1664 1 4 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.092 -0.052 18318
1665 1 4 . 1 1 91 91 GLN C C 88 178.000 178.000 178.518 -0.518 18318
1666 1 4 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.022 -0.321 18318
1667 1 4 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.996 -0.996 18318
1668 1 4 . 1 1 91 91 GLN H H 88 8.380 8.380 8.486 -0.106 18318
1669 1 4 . 1 1 92 92 CYS N N 89 119.000 119.000 117.336 1.664 18318
1670 1 4 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.142 -0.092 18318
1671 1 4 . 1 1 92 92 CYS C C 89 176.600 176.600 177.177 -0.577 18318
1672 1 4 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.296 -2.196 18318
1673 1 4 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.674 13.826 18318
1674 1 4 . 1 1 92 92 CYS H H 89 7.390 7.390 7.994 -0.604 18318
1675 1 4 . 1 1 93 93 ALA N N 90 122.900 122.900 121.874 1.026 18318
1676 1 4 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.972 -0.062 18318
1677 1 4 . 1 1 93 93 ALA C C 90 179.200 179.200 178.666 0.534 18318
1678 1 4 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.286 0.414 18318
1679 1 4 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.632 -0.832 18318
1680 1 4 . 1 1 93 93 ALA H H 90 8.410 8.410 7.506 0.904 18318
1681 1 4 . 1 1 94 94 GLU N N 91 115.800 115.800 117.507 -1.707 18318
1682 1 4 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.217 -0.067 18318
1683 1 4 . 1 1 94 94 GLU C C 91 177.400 177.400 177.639 -0.239 18318
1684 1 4 . 1 1 94 94 GLU CA C 91 57.900 57.900 56.915 0.985 18318
1685 1 4 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.018 -0.618 18318
1686 1 4 . 1 1 94 94 GLU H H 91 7.880 7.880 7.796 0.084 18318
1687 1 4 . 1 1 95 95 GLN N N 92 115.500 115.500 117.724 -2.224 18318
1688 1 4 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.354 -0.064 18318
1689 1 4 . 1 1 95 95 GLN C C 92 176.600 176.600 175.470 1.130 18318
1690 1 4 . 1 1 95 95 GLN CA C 92 56.300 56.300 56.917 -0.617 18318
1691 1 4 . 1 1 95 95 GLN CB C 92 28.900 28.900 30.702 -1.802 18318
1692 1 4 . 1 1 95 95 GLN H H 92 7.450 7.450 7.706 -0.256 18318
1693 1 5 . 1 1 15 15 CYS N N 12 117.500 117.500 121.581 -4.081 18318
1694 1 5 . 1 1 15 15 CYS C C 12 175.500 175.500 173.943 1.557 18318
1695 1 5 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.555 -4.855 18318
1696 1 5 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.552 6.148 18318
1697 1 5 . 1 1 15 15 CYS H H 12 8.280 8.280 8.840 -0.560 18318
1698 1 5 . 1 1 16 16 GLY N N 13 108.700 108.700 109.176 -0.476 18318
1699 1 5 . 1 1 16 16 GLY C C 13 176.600 176.600 175.886 0.714 18318
1700 1 5 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.365 1.535 18318
1701 1 5 . 1 1 16 16 GLY H H 13 8.080 8.080 8.943 -0.863 18318
1702 1 5 . 1 1 17 17 ARG N N 14 123.300 123.300 121.554 1.746 18318
1703 1 5 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.076 -0.116 18318
1704 1 5 . 1 1 17 17 ARG C C 14 179.300 179.300 177.279 2.021 18318
1705 1 5 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.494 0.706 18318
1706 1 5 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.983 0.117 18318
1707 1 5 . 1 1 17 17 ARG H H 14 8.630 8.630 8.806 -0.176 18318
1708 1 5 . 1 1 18 18 GLU N N 15 121.900 121.900 119.625 2.275 18318
1709 1 5 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.217 -0.047 18318
1710 1 5 . 1 1 18 18 GLU C C 15 177.900 177.900 178.395 -0.495 18318
1711 1 5 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.414 2.686 18318
1712 1 5 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.634 -0.434 18318
1713 1 5 . 1 1 18 18 GLU H H 15 9.670 9.670 8.223 1.447 18318
1714 1 5 . 1 1 19 19 LEU N N 16 119.400 119.400 120.771 -1.371 18318
1715 1 5 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.681 2.219 18318
1716 1 5 . 1 1 19 19 LEU H H 16 8.090 8.090 8.114 -0.024 18318
1717 1 5 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.096 -0.416 18318
1718 1 5 . 1 1 20 20 GLU C C 17 177.200 177.200 179.024 -1.824 18318
1719 1 5 . 1 1 20 20 GLU CA C 17 59.300 59.300 58.650 0.650 18318
1720 1 5 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.867 -0.867 18318
1721 1 5 . 1 1 21 21 GLN N N 18 118.500 118.500 119.905 -1.405 18318
1722 1 5 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.117 -0.077 18318
1723 1 5 . 1 1 21 21 GLN C C 18 177.200 177.200 177.767 -0.567 18318
1724 1 5 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.837 0.163 18318
1725 1 5 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.188 -0.488 18318
1726 1 5 . 1 1 21 21 GLN H H 18 8.560 8.560 8.205 0.355 18318
1727 1 5 . 1 1 22 22 TYR N N 19 120.700 120.700 118.379 2.321 18318
1728 1 5 . 1 1 22 22 TYR HA H 19 4.280 4.280 3.588 0.692 18318
1729 1 5 . 1 1 22 22 TYR C C 19 176.600 176.600 177.153 -0.553 18318
1730 1 5 . 1 1 22 22 TYR CA C 19 62.100 62.100 58.461 3.639 18318
1731 1 5 . 1 1 22 22 TYR CB C 19 38.900 38.900 36.594 2.306 18318
1732 1 5 . 1 1 22 22 TYR H H 19 8.120 8.120 7.892 0.228 18318
1733 1 5 . 1 1 23 23 GLY N N 20 105.600 105.600 107.961 -2.361 18318
1734 1 5 . 1 1 23 23 GLY C C 20 176.700 176.700 175.849 0.851 18318
1735 1 5 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.568 0.532 18318
1736 1 5 . 1 1 23 23 GLY H H 20 8.390 8.390 7.692 0.698 18318
1737 1 5 . 1 1 24 24 GLN N N 21 120.300 120.300 120.071 0.229 18318
1738 1 5 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.132 -0.082 18318
1739 1 5 . 1 1 24 24 GLN C C 21 178.000 178.000 178.202 -0.202 18318
1740 1 5 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.089 0.511 18318
1741 1 5 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.675 -1.075 18318
1742 1 5 . 1 1 24 24 GLN H H 21 8.130 8.130 7.798 0.332 18318
1743 1 5 . 1 1 25 25 CYS N N 22 121.500 121.500 119.005 2.495 18318
1744 1 5 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.172 0.108 18318
1745 1 5 . 1 1 25 25 CYS C C 22 175.400 175.400 176.694 -1.294 18318
1746 1 5 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.239 -2.639 18318
1747 1 5 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.855 13.044 18318
1748 1 5 . 1 1 25 25 CYS H H 22 7.610 7.610 7.505 0.105 18318
1749 1 5 . 1 1 26 26 VAL N N 23 119.900 119.900 119.678 0.222 18318
1750 1 5 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.080 -0.290 18318
1751 1 5 . 1 1 26 26 VAL C C 23 177.100 177.100 177.364 -0.264 18318
1752 1 5 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.488 0.412 18318
1753 1 5 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.555 -2.255 18318
1754 1 5 . 1 1 26 26 VAL H H 23 8.040 8.040 8.062 -0.022 18318
1755 1 5 . 1 1 27 27 ALA N N 24 117.400 117.400 120.791 -3.391 18318
1756 1 5 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.008 0.092 18318
1757 1 5 . 1 1 27 27 ALA C C 24 178.600 178.600 178.817 -0.217 18318
1758 1 5 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.600 -0.500 18318
1759 1 5 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.434 -0.534 18318
1760 1 5 . 1 1 27 27 ALA H H 24 7.430 7.430 7.540 -0.110 18318
1761 1 5 . 1 1 28 28 ALA N N 25 116.100 116.100 120.852 -4.752 18318
1762 1 5 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.166 0.164 18318
1763 1 5 . 1 1 28 28 ALA C C 25 178.100 178.100 178.138 -0.038 18318
1764 1 5 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.901 -1.301 18318
1765 1 5 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.519 -0.419 18318
1766 1 5 . 1 1 28 28 ALA H H 25 7.120 7.120 7.567 -0.447 18318
1767 1 5 . 1 1 29 29 LYS N N 26 119.200 119.200 113.721 5.479 18318
1768 1 5 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.861 4.839 18318
1769 1 5 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.591 -2.491 18318
1770 1 5 . 1 1 29 29 LYS H H 26 7.560 7.560 7.540 0.020 18318
1771 1 5 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.349 -0.139 18318
1772 1 5 . 1 1 30 30 PRO C C 27 177.000 177.000 178.223 -1.223 18318
1773 1 5 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.570 0.330 18318
1774 1 5 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318
1775 1 5 . 1 1 31 31 GLU N N 28 114.600 114.600 118.258 -3.658 18318
1776 1 5 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.283 0.167 18318
1777 1 5 . 1 1 31 31 GLU C C 28 176.100 176.100 178.502 -2.402 18318
1778 1 5 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.266 -1.066 18318
1779 1 5 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.295 1.305 18318
1780 1 5 . 1 1 31 31 GLU H H 28 8.770 8.770 8.881 -0.111 18318
1781 1 5 . 1 1 32 32 SER N N 29 111.000 111.000 116.257 -5.257 18318
1782 1 5 . 1 1 32 32 SER HA H 29 4.510 4.510 4.259 0.251 18318
1783 1 5 . 1 1 32 32 SER C C 29 176.600 176.600 175.977 0.623 18318
1784 1 5 . 1 1 32 32 SER CA C 29 58.500 58.500 60.678 -2.178 18318
1785 1 5 . 1 1 32 32 SER CB C 29 63.800 63.800 62.727 1.073 18318
1786 1 5 . 1 1 32 32 SER H H 29 7.750 7.750 8.460 -0.710 18318
1787 1 5 . 1 1 33 33 TRP N N 30 125.000 125.000 123.148 1.852 18318
1788 1 5 . 1 1 33 33 TRP C C 30 177.200 177.200 177.836 -0.636 18318
1789 1 5 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.066 -1.066 18318
1790 1 5 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.833 0.667 18318
1791 1 5 . 1 1 33 33 TRP H H 30 7.820 7.820 7.737 0.083 18318
1792 1 5 . 1 1 34 34 GLN N N 31 123.600 123.600 117.528 6.072 18318
1793 1 5 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.369 0.081 18318
1794 1 5 . 1 1 34 34 GLN C C 31 176.800 176.800 178.396 -1.596 18318
1795 1 5 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.971 1.929 18318
1796 1 5 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.079 -2.579 18318
1797 1 5 . 1 1 34 34 GLN H H 31 8.240 8.240 7.685 0.555 18318
1798 1 5 . 1 1 35 35 ARG N N 32 115.900 115.900 119.273 -3.373 18318
1799 1 5 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.100 0.180 18318
1800 1 5 . 1 1 35 35 ARG C C 32 178.900 178.900 178.409 0.491 18318
1801 1 5 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.565 -2.164 18318
1802 1 5 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.226 1.074 18318
1803 1 5 . 1 1 35 35 ARG H H 32 7.450 7.450 7.717 -0.267 18318
1804 1 5 . 1 1 36 36 ASP N N 33 117.700 117.700 119.091 -1.391 18318
1805 1 5 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.652 -0.512 18318
1806 1 5 . 1 1 36 36 ASP C C 33 177.600 177.600 177.121 0.479 18318
1807 1 5 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.607 0.593 18318
1808 1 5 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.930 -1.030 18318
1809 1 5 . 1 1 36 36 ASP H H 33 8.760 8.760 8.231 0.529 18318
1810 1 5 . 1 1 37 37 CYS N N 34 113.300 113.300 119.020 -5.720 18318
1811 1 5 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.830 0.570 18318
1812 1 5 . 1 1 37 37 CYS C C 34 175.800 175.800 174.683 1.117 18318
1813 1 5 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.135 -5.035 18318
1814 1 5 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.495 14.005 18318
1815 1 5 . 1 1 37 37 CYS H H 34 8.260 8.260 7.754 0.506 18318
1816 1 5 . 1 1 38 38 HIS N N 35 124.200 124.200 124.422 -0.222 18318
1817 1 5 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.521 -0.171 18318
1818 1 5 . 1 1 38 38 HIS C C 35 177.400 177.400 176.374 1.026 18318
1819 1 5 . 1 1 38 38 HIS CA C 35 61.000 61.000 60.287 0.713 18318
1820 1 5 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.743 -0.143 18318
1821 1 5 . 1 1 38 38 HIS H H 35 7.520 7.520 8.200 -0.680 18318
1822 1 5 . 1 1 39 39 TYR N N 36 117.100 117.100 117.794 -0.694 18318
1823 1 5 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.366 -0.066 18318
1824 1 5 . 1 1 39 39 TYR C C 36 177.700 177.700 178.178 -0.478 18318
1825 1 5 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.468 -0.868 18318
1826 1 5 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.748 -1.548 18318
1827 1 5 . 1 1 39 39 TYR H H 36 8.930 8.930 8.431 0.499 18318
1828 1 5 . 1 1 40 40 LEU N N 37 122.000 122.000 119.231 2.769 18318
1829 1 5 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.007 0.163 18318
1830 1 5 . 1 1 40 40 LEU C C 37 179.400 179.400 178.992 0.408 18318
1831 1 5 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.564 -2.064 18318
1832 1 5 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.798 0.602 18318
1833 1 5 . 1 1 40 40 LEU H H 37 6.940 6.940 8.258 -1.318 18318
1834 1 5 . 1 1 41 41 LYS N N 38 125.300 125.300 119.800 5.500 18318
1835 1 5 . 1 1 41 41 LYS C C 38 179.600 179.600 178.919 0.681 18318
1836 1 5 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.656 -0.056 18318
1837 1 5 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.295 -1.295 18318
1838 1 5 . 1 1 41 41 LYS H H 38 7.880 7.880 7.830 0.050 18318
1839 1 5 . 1 1 42 42 MET N N 39 117.600 117.600 117.120 0.480 18318
1840 1 5 . 1 1 42 42 MET HA H 39 4.120 4.120 4.271 -0.151 18318
1841 1 5 . 1 1 42 42 MET C C 39 178.900 178.900 178.311 0.589 18318
1842 1 5 . 1 1 42 42 MET CA C 39 57.200 57.200 57.784 -0.584 18318
1843 1 5 . 1 1 42 42 MET CB C 39 30.000 30.000 32.395 -2.396 18318
1844 1 5 . 1 1 42 42 MET H H 39 8.090 8.090 7.748 0.342 18318
1845 1 5 . 1 1 43 43 SER N N 40 115.900 115.900 116.564 -0.664 18318
1846 1 5 . 1 1 43 43 SER HA H 40 4.290 4.290 4.296 -0.006 18318
1847 1 5 . 1 1 43 43 SER C C 40 177.400 177.400 176.521 0.879 18318
1848 1 5 . 1 1 43 43 SER CA C 40 61.700 61.700 62.699 -0.999 18318
1849 1 5 . 1 1 43 43 SER CB C 40 62.500 62.500 63.349 -0.849 18318
1850 1 5 . 1 1 43 43 SER H H 40 7.600 7.600 7.711 -0.111 18318
1851 1 5 . 1 1 44 44 ILE N N 41 121.900 121.900 117.787 4.113 18318
1852 1 5 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.863 -0.323 18318
1853 1 5 . 1 1 44 44 ILE C C 41 177.500 177.500 177.254 0.246 18318
1854 1 5 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.428 1.672 18318
1855 1 5 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.602 0.298 18318
1856 1 5 . 1 1 44 44 ILE H H 41 7.540 7.540 8.325 -0.785 18318
1857 1 5 . 1 1 45 45 ALA N N 42 122.600 122.600 122.211 0.389 18318
1858 1 5 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.979 0.201 18318
1859 1 5 . 1 1 45 45 ALA C C 42 180.200 180.200 179.612 0.588 18318
1860 1 5 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.940 -0.140 18318
1861 1 5 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.100 -0.800 18318
1862 1 5 . 1 1 45 45 ALA H H 42 7.420 7.420 7.678 -0.258 18318
1863 1 5 . 1 1 46 46 GLN N N 43 118.400 118.400 118.206 0.194 18318
1864 1 5 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.120 -0.150 18318
1865 1 5 . 1 1 46 46 GLN C C 43 178.500 178.500 177.907 0.593 18318
1866 1 5 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.647 0.053 18318
1867 1 5 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.980 -1.180 18318
1868 1 5 . 1 1 46 46 GLN H H 43 8.290 8.290 7.795 0.495 18318
1869 1 5 . 1 1 47 47 CYS N N 44 119.500 119.500 118.904 0.596 18318
1870 1 5 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.225 -0.135 18318
1871 1 5 . 1 1 47 47 CYS C C 44 176.500 176.500 177.754 -1.254 18318
1872 1 5 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.796 -1.496 18318
1873 1 5 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.012 13.889 18318
1874 1 5 . 1 1 47 47 CYS H H 44 7.590 7.590 7.678 -0.088 18318
1875 1 5 . 1 1 48 48 THR N N 45 113.000 113.000 116.844 -3.844 18318
1876 1 5 . 1 1 48 48 THR C C 45 175.900 175.900 176.554 -0.654 18318
1877 1 5 . 1 1 48 48 THR CA C 45 65.400 65.400 66.061 -0.661 18318
1878 1 5 . 1 1 48 48 THR CB C 45 68.800 68.800 68.624 0.176 18318
1879 1 5 . 1 1 48 48 THR H H 45 8.810 8.810 7.780 1.030 18318
1880 1 5 . 1 1 49 49 SER N N 46 113.200 113.200 117.549 -4.349 18318
1881 1 5 . 1 1 49 49 SER HA H 46 4.380 4.380 4.272 0.108 18318
1882 1 5 . 1 1 49 49 SER C C 46 175.600 175.600 176.006 -0.406 18318
1883 1 5 . 1 1 49 49 SER CA C 46 60.000 60.000 60.756 -0.756 18318
1884 1 5 . 1 1 49 49 SER CB C 46 63.900 63.900 63.102 0.798 18318
1885 1 5 . 1 1 49 49 SER H H 46 7.890 7.890 7.691 0.199 18318
1886 1 5 . 1 1 50 50 SER N N 47 114.100 114.100 115.550 -1.450 18318
1887 1 5 . 1 1 50 50 SER HA H 47 4.390 4.390 4.298 0.092 18318
1888 1 5 . 1 1 50 50 SER CA C 47 59.100 59.100 60.689 -1.589 18318
1889 1 5 . 1 1 50 50 SER CB C 47 64.800 64.800 63.764 1.036 18318
1890 1 5 . 1 1 50 50 SER H H 47 7.770 7.770 7.570 0.200 18318
1891 1 5 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.945 0.645 18318
1892 1 5 . 1 1 55 55 ARG C C 52 178.500 178.500 177.891 0.609 18318
1893 1 5 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.959 1.041 18318
1894 1 5 . 1 1 56 56 GLN N N 53 117.700 117.700 118.514 -0.814 18318
1895 1 5 . 1 1 56 56 GLN C C 53 175.000 175.000 177.952 -2.952 18318
1896 1 5 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.012 1.188 18318
1897 1 5 . 1 1 56 56 GLN H H 53 8.110 8.110 8.560 -0.450 18318
1898 1 5 . 1 1 57 57 ILE N N 54 121.200 121.200 113.294 7.906 18318
1899 1 5 . 1 1 57 57 ILE HA H 54 3.320 3.320 4.028 -0.708 18318
1900 1 5 . 1 1 57 57 ILE C C 54 178.700 178.700 178.236 0.464 18318
1901 1 5 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.164 2.836 18318
1902 1 5 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.738 -0.038 18318
1903 1 5 . 1 1 57 57 ILE H H 54 7.820 7.820 7.484 0.336 18318
1904 1 5 . 1 1 58 58 ARG N N 55 118.900 118.900 121.501 -2.601 18318
1905 1 5 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.027 0.283 18318
1906 1 5 . 1 1 58 58 ARG C C 55 178.600 178.600 178.518 0.082 18318
1907 1 5 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.890 1.010 18318
1908 1 5 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.024 1.476 18318
1909 1 5 . 1 1 58 58 ARG H H 55 8.250 8.250 7.693 0.557 18318
1910 1 5 . 1 1 59 59 GLN N N 56 115.800 115.800 117.763 -1.963 18318
1911 1 5 . 1 1 59 59 GLN C C 56 178.100 178.100 176.675 1.425 18318
1912 1 5 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.077 -0.077 18318
1913 1 5 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.544 0.256 18318
1914 1 5 . 1 1 59 59 GLN H H 56 7.920 7.920 7.911 0.009 18318
1915 1 5 . 1 1 60 60 ALA N N 57 121.600 121.600 120.008 1.592 18318
1916 1 5 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.179 0.001 18318
1917 1 5 . 1 1 60 60 ALA C C 57 179.600 179.600 178.588 1.012 18318
1918 1 5 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.693 0.807 18318
1919 1 5 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.038 -0.138 18318
1920 1 5 . 1 1 60 60 ALA H H 57 8.490 8.490 7.386 1.104 18318
1921 1 5 . 1 1 61 61 CYS N N 58 114.000 114.000 117.101 -3.101 18318
1922 1 5 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.550 0.580 18318
1923 1 5 . 1 1 61 61 CYS C C 58 175.000 175.000 174.440 0.560 18318
1924 1 5 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.042 -6.342 18318
1925 1 5 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.577 15.223 18318
1926 1 5 . 1 1 61 61 CYS H H 58 8.370 8.370 7.577 0.793 18318
1927 1 5 . 1 1 62 62 ALA N N 59 124.900 124.900 126.601 -1.701 18318
1928 1 5 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.319 -0.049 18318
1929 1 5 . 1 1 62 62 ALA C C 59 179.200 179.200 178.334 0.866 18318
1930 1 5 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.876 3.624 18318
1931 1 5 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.913 -1.113 18318
1932 1 5 . 1 1 62 62 ALA H H 59 7.200 7.200 8.062 -0.862 18318
1933 1 5 . 1 1 63 63 GLN N N 60 115.800 115.800 119.458 -3.658 18318
1934 1 5 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.131 0.349 18318
1935 1 5 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.383 0.817 18318
1936 1 5 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.384 -1.684 18318
1937 1 5 . 1 1 63 63 GLN H H 60 9.040 9.040 8.819 0.221 18318
1938 1 5 . 1 1 64 64 PRO C C 61 179.700 179.700 177.717 1.983 18318
1939 1 5 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.041 0.559 18318
1940 1 5 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.006 -0.206 18318
1941 1 5 . 1 1 65 65 PHE N N 62 120.500 120.500 118.807 1.693 18318
1942 1 5 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.274 0.006 18318
1943 1 5 . 1 1 65 65 PHE C C 62 176.400 176.400 176.830 -0.430 18318
1944 1 5 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.841 1.559 18318
1945 1 5 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.243 -0.643 18318
1946 1 5 . 1 1 65 65 PHE H H 62 8.500 8.500 8.157 0.343 18318
1947 1 5 . 1 1 66 66 GLU N N 63 120.200 120.200 120.687 -0.487 18318
1948 1 5 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.966 0.064 18318
1949 1 5 . 1 1 66 66 GLU C C 63 179.300 179.300 178.281 1.019 18318
1950 1 5 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.142 0.058 18318
1951 1 5 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.809 -1.309 18318
1952 1 5 . 1 1 66 66 GLU H H 63 8.900 8.900 8.394 0.506 18318
1953 1 5 . 1 1 67 67 ALA N N 64 120.600 120.600 122.305 -1.705 18318
1954 1 5 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.917 -0.047 18318
1955 1 5 . 1 1 67 67 ALA C C 64 180.500 180.500 179.915 0.585 18318
1956 1 5 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.023 -0.323 18318
1957 1 5 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.902 0.198 18318
1958 1 5 . 1 1 67 67 ALA H H 64 8.150 8.150 7.293 0.857 18318
1959 1 5 . 1 1 68 68 PHE N N 65 120.000 120.000 116.163 3.837 18318
1960 1 5 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.144 0.176 18318
1961 1 5 . 1 1 68 68 PHE C C 65 175.400 175.400 177.609 -2.209 18318
1962 1 5 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.521 0.279 18318
1963 1 5 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.831 0.169 18318
1964 1 5 . 1 1 68 68 PHE H H 65 7.810 7.810 6.959 0.851 18318
1965 1 5 . 1 1 69 69 GLU N N 66 119.400 119.400 120.688 -1.288 18318
1966 1 5 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.976 0.194 18318
1967 1 5 . 1 1 69 69 GLU C C 66 178.800 178.800 179.114 -0.314 18318
1968 1 5 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.225 0.975 18318
1969 1 5 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.154 -0.054 18318
1970 1 5 . 1 1 69 69 GLU H H 66 8.330 8.330 7.704 0.626 18318
1971 1 5 . 1 1 70 70 GLU N N 67 118.600 118.600 118.718 -0.118 18318
1972 1 5 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.133 -0.163 18318
1973 1 5 . 1 1 70 70 GLU C C 67 177.700 177.700 178.620 -0.920 18318
1974 1 5 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.822 -0.022 18318
1975 1 5 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.705 -1.005 18318
1976 1 5 . 1 1 70 70 GLU H H 67 8.240 8.240 8.287 -0.047 18318
1977 1 5 . 1 1 71 71 CYS N N 68 119.100 119.100 119.042 0.058 18318
1978 1 5 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.155 -0.075 18318
1979 1 5 . 1 1 71 71 CYS C C 68 177.900 177.900 177.314 0.586 18318
1980 1 5 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.773 -3.173 18318
1981 1 5 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.514 12.486 18318
1982 1 5 . 1 1 71 71 CYS H H 68 7.580 7.580 7.829 -0.249 18318
1983 1 5 . 1 1 72 72 LEU N N 69 122.000 122.000 119.166 2.834 18318
1984 1 5 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.233 -0.533 18318
1985 1 5 . 1 1 72 72 LEU C C 69 179.300 179.300 178.805 0.495 18318
1986 1 5 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.402 0.198 18318
1987 1 5 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.627 -0.627 18318
1988 1 5 . 1 1 72 72 LEU H H 69 8.090 8.090 7.752 0.338 18318
1989 1 5 . 1 1 73 73 ARG N N 70 117.400 117.400 118.866 -1.466 18318
1990 1 5 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.963 0.047 18318
1991 1 5 . 1 1 73 73 ARG C C 70 178.500 178.500 177.875 0.625 18318
1992 1 5 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.916 -0.216 18318
1993 1 5 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.242 -0.142 18318
1994 1 5 . 1 1 73 73 ARG H H 70 7.600 7.600 7.778 -0.178 18318
1995 1 5 . 1 1 74 74 GLN N N 71 115.800 115.800 114.404 1.396 18318
1996 1 5 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.451 -0.161 18318
1997 1 5 . 1 1 74 74 GLN C C 71 176.200 176.200 176.390 -0.190 18318
1998 1 5 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.367 0.033 18318
1999 1 5 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.849 -1.649 18318
2000 1 5 . 1 1 74 74 GLN H H 71 7.580 7.580 7.658 -0.078 18318
2001 1 5 . 1 1 75 75 ASN N N 72 118.600 118.600 118.721 -0.121 18318
2002 1 5 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.005 -0.015 18318
2003 1 5 . 1 1 75 75 ASN C C 72 174.800 174.800 174.813 -0.013 18318
2004 1 5 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.676 0.324 18318
2005 1 5 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.112 0.688 18318
2006 1 5 . 1 1 75 75 ASN H H 72 7.750 7.750 8.129 -0.379 18318
2007 1 5 . 1 1 76 76 GLU N N 73 120.200 120.200 122.995 -2.795 18318
2008 1 5 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.879 0.081 18318
2009 1 5 . 1 1 76 76 GLU C C 73 176.800 176.800 176.554 0.246 18318
2010 1 5 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.559 -0.359 18318
2011 1 5 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.817 -0.716 18318
2012 1 5 . 1 1 76 76 GLU H H 73 7.950 7.950 8.013 -0.063 18318
2013 1 5 . 1 1 77 77 ALA N N 74 119.200 119.200 119.447 -0.247 18318
2014 1 5 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.427 -0.067 18318
2015 1 5 . 1 1 77 77 ALA C C 74 175.400 175.400 176.851 -1.451 18318
2016 1 5 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.804 0.296 18318
2017 1 5 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.002 0.198 18318
2018 1 5 . 1 1 77 77 ALA H H 74 8.320 8.320 7.988 0.332 18318
2019 1 5 . 1 1 78 78 ALA N N 75 124.400 124.400 122.367 2.033 18318
2020 1 5 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.646 -0.266 18318
2021 1 5 . 1 1 78 78 ALA C C 75 177.200 177.200 178.066 -0.866 18318
2022 1 5 . 1 1 78 78 ALA CA C 75 51.400 51.400 52.107 -0.707 18318
2023 1 5 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.685 -1.685 18318
2024 1 5 . 1 1 78 78 ALA H H 75 7.900 7.900 7.624 0.276 18318
2025 1 5 . 1 1 79 79 VAL N N 76 118.400 118.400 119.117 -0.717 18318
2026 1 5 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.319 -0.529 18318
2027 1 5 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.886 1.214 18318
2028 1 5 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.167 0.133 18318
2029 1 5 . 1 1 79 79 VAL H H 76 8.100 8.100 8.262 -0.162 18318
2030 1 5 . 1 1 80 80 GLY C C 77 175.900 175.900 175.509 0.391 18318
2031 1 5 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.200 0.200 18318
2032 1 5 . 1 1 81 81 ASN N N 78 119.300 119.300 117.952 1.348 18318
2033 1 5 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.832 -0.232 18318
2034 1 5 . 1 1 81 81 ASN C C 78 176.700 176.700 174.721 1.979 18318
2035 1 5 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.349 0.151 18318
2036 1 5 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.514 -3.214 18318
2037 1 5 . 1 1 81 81 ASN H H 78 8.200 8.200 7.757 0.443 18318
2038 1 5 . 1 1 82 82 CYS N N 79 117.200 117.200 115.740 1.460 18318
2039 1 5 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.803 0.597 18318
2040 1 5 . 1 1 82 82 CYS C C 79 175.800 175.800 172.891 2.909 18318
2041 1 5 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.061 -2.561 18318
2042 1 5 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.571 8.729 18318
2043 1 5 . 1 1 82 82 CYS H H 79 8.330 8.330 7.592 0.738 18318
2044 1 5 . 1 1 83 83 ALA N N 80 125.000 125.000 124.487 0.513 18318
2045 1 5 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.701 -0.551 18318
2046 1 5 . 1 1 83 83 ALA C C 80 179.900 179.900 177.599 2.301 18318
2047 1 5 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.483 5.716 18318
2048 1 5 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.051 -0.851 18318
2049 1 5 . 1 1 83 83 ALA H H 80 7.700 7.700 8.528 -0.828 18318
2050 1 5 . 1 1 84 84 GLU N N 81 118.900 118.900 126.244 -7.344 18318
2051 1 5 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.674 0.276 18318
2052 1 5 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.496 -0.496 18318
2053 1 5 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.315 -0.415 18318
2054 1 5 . 1 1 84 84 GLU H H 81 8.920 8.920 8.909 0.011 18318
2055 1 5 . 1 1 85 85 HIS C C 82 178.500 178.500 176.675 1.825 18318
2056 1 5 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.340 -2.240 18318
2057 1 5 . 1 1 86 86 MET N N 83 118.800 118.800 117.605 1.195 18318
2058 1 5 . 1 1 86 86 MET C C 83 177.200 177.200 178.433 -1.233 18318
2059 1 5 . 1 1 86 86 MET CA C 83 58.900 58.900 57.652 1.248 18318
2060 1 5 . 1 1 86 86 MET CB C 83 31.300 31.300 32.524 -1.224 18318
2061 1 5 . 1 1 86 86 MET H H 83 7.460 7.460 7.669 -0.209 18318
2062 1 5 . 1 1 87 87 ARG N N 84 119.500 119.500 119.685 -0.185 18318
2063 1 5 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.887 0.023 18318
2064 1 5 . 1 1 87 87 ARG C C 84 178.600 178.600 178.294 0.306 18318
2065 1 5 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.365 1.535 18318
2066 1 5 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.656 0.844 18318
2067 1 5 . 1 1 87 87 ARG H H 84 8.220 8.220 8.298 -0.078 18318
2068 1 5 . 1 1 88 88 ARG N N 85 117.900 117.900 120.417 -2.517 18318
2069 1 5 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.225 -0.305 18318
2070 1 5 . 1 1 88 88 ARG C C 85 179.700 179.700 178.421 1.279 18318
2071 1 5 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.198 -0.698 18318
2072 1 5 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.270 -0.270 18318
2073 1 5 . 1 1 88 88 ARG H H 85 8.100 8.100 8.131 -0.031 18318
2074 1 5 . 1 1 89 89 PHE N N 86 119.700 119.700 118.316 1.384 18318
2075 1 5 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.302 0.048 18318
2076 1 5 . 1 1 89 89 PHE C C 86 175.600 175.600 177.759 -2.159 18318
2077 1 5 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.072 0.028 18318
2078 1 5 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.872 -1.072 18318
2079 1 5 . 1 1 89 89 PHE H H 86 7.930 7.930 7.663 0.267 18318
2080 1 5 . 1 1 90 90 LEU N N 87 120.400 120.400 120.217 0.183 18318
2081 1 5 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.979 -0.269 18318
2082 1 5 . 1 1 90 90 LEU C C 87 179.200 179.200 178.551 0.649 18318
2083 1 5 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.167 -0.467 18318
2084 1 5 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.831 -1.531 18318
2085 1 5 . 1 1 90 90 LEU H H 87 8.640 8.640 7.452 1.188 18318
2086 1 5 . 1 1 91 91 GLN N N 88 118.200 118.200 119.146 -0.946 18318
2087 1 5 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.134 -0.094 18318
2088 1 5 . 1 1 91 91 GLN C C 88 178.000 178.000 178.908 -0.908 18318
2089 1 5 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.975 -0.275 18318
2090 1 5 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.217 -0.217 18318
2091 1 5 . 1 1 91 91 GLN H H 88 8.380 8.380 8.391 -0.011 18318
2092 1 5 . 1 1 92 92 CYS N N 89 119.000 119.000 117.472 1.528 18318
2093 1 5 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.313 -0.263 18318
2094 1 5 . 1 1 92 92 CYS C C 89 176.600 176.600 177.265 -0.665 18318
2095 1 5 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.463 -2.363 18318
2096 1 5 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.620 13.880 18318
2097 1 5 . 1 1 92 92 CYS H H 89 7.390 7.390 8.560 -1.170 18318
2098 1 5 . 1 1 93 93 ALA N N 90 122.900 122.900 121.500 1.400 18318
2099 1 5 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.092 -0.182 18318
2100 1 5 . 1 1 93 93 ALA C C 90 179.200 179.200 178.538 0.662 18318
2101 1 5 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.718 -0.018 18318
2102 1 5 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.314 -0.514 18318
2103 1 5 . 1 1 93 93 ALA H H 90 8.410 8.410 7.726 0.684 18318
2104 1 5 . 1 1 94 94 GLU N N 91 115.800 115.800 118.331 -2.531 18318
2105 1 5 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.109 0.041 18318
2106 1 5 . 1 1 94 94 GLU C C 91 177.400 177.400 178.456 -1.056 18318
2107 1 5 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.019 -0.119 18318
2108 1 5 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.759 -0.359 18318
2109 1 5 . 1 1 94 94 GLU H H 91 7.880 7.880 7.682 0.198 18318
2110 1 5 . 1 1 95 95 GLN N N 92 115.500 115.500 118.935 -3.435 18318
2111 1 5 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.206 0.084 18318
2112 1 5 . 1 1 95 95 GLN C C 92 176.600 176.600 177.135 -0.535 18318
2113 1 5 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.312 -1.012 18318
2114 1 5 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.377 -0.477 18318
2115 1 5 . 1 1 95 95 GLN H H 92 7.450 7.450 8.162 -0.712 18318
2116 1 6 . 1 1 15 15 CYS N N 12 117.500 117.500 121.965 -4.465 18318
2117 1 6 . 1 1 15 15 CYS C C 12 175.500 175.500 176.451 -0.951 18318
2118 1 6 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.526 -4.826 18318
2119 1 6 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.463 6.237 18318
2120 1 6 . 1 1 15 15 CYS H H 12 8.280 8.280 9.012 -0.732 18318
2121 1 6 . 1 1 16 16 GLY N N 13 108.700 108.700 110.650 -1.950 18318
2122 1 6 . 1 1 16 16 GLY C C 13 176.600 176.600 175.403 1.197 18318
2123 1 6 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.548 0.352 18318
2124 1 6 . 1 1 16 16 GLY H H 13 8.080 8.080 9.061 -0.981 18318
2125 1 6 . 1 1 17 17 ARG N N 14 123.300 123.300 119.775 3.525 18318
2126 1 6 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.307 -0.347 18318
2127 1 6 . 1 1 17 17 ARG C C 14 179.300 179.300 177.857 1.443 18318
2128 1 6 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.990 1.210 18318
2129 1 6 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.893 0.207 18318
2130 1 6 . 1 1 17 17 ARG H H 14 8.630 8.630 8.561 0.069 18318
2131 1 6 . 1 1 18 18 GLU N N 15 121.900 121.900 121.387 0.513 18318
2132 1 6 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.187 -0.017 18318
2133 1 6 . 1 1 18 18 GLU C C 15 177.900 177.900 177.610 0.290 18318
2134 1 6 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.157 1.943 18318
2135 1 6 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.419 -1.220 18318
2136 1 6 . 1 1 18 18 GLU H H 15 9.670 9.670 7.927 1.743 18318
2137 1 6 . 1 1 19 19 LEU N N 16 119.400 119.400 120.559 -1.159 18318
2138 1 6 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.034 2.866 18318
2139 1 6 . 1 1 19 19 LEU H H 16 8.090 8.090 7.910 0.180 18318
2140 1 6 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.995 -0.315 18318
2141 1 6 . 1 1 20 20 GLU C C 17 177.200 177.200 179.195 -1.995 18318
2142 1 6 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.920 -0.620 18318
2143 1 6 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.639 -0.639 18318
2144 1 6 . 1 1 21 21 GLN N N 18 118.500 118.500 118.735 -0.235 18318
2145 1 6 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.152 -0.112 18318
2146 1 6 . 1 1 21 21 GLN C C 18 177.200 177.200 178.394 -1.194 18318
2147 1 6 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.209 0.791 18318
2148 1 6 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.967 -0.267 18318
2149 1 6 . 1 1 21 21 GLN H H 18 8.560 8.560 7.782 0.778 18318
2150 1 6 . 1 1 22 22 TYR N N 19 120.700 120.700 120.975 -0.275 18318
2151 1 6 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.386 -0.106 18318
2152 1 6 . 1 1 22 22 TYR C C 19 176.600 176.600 177.927 -1.327 18318
2153 1 6 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.645 1.455 18318
2154 1 6 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.323 0.577 18318
2155 1 6 . 1 1 22 22 TYR H H 19 8.120 8.120 8.616 -0.496 18318
2156 1 6 . 1 1 23 23 GLY N N 20 105.600 105.600 106.370 -0.770 18318
2157 1 6 . 1 1 23 23 GLY C C 20 176.700 176.700 175.864 0.836 18318
2158 1 6 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.274 0.826 18318
2159 1 6 . 1 1 23 23 GLY H H 20 8.390 8.390 7.644 0.746 18318
2160 1 6 . 1 1 24 24 GLN N N 21 120.300 120.300 121.608 -1.308 18318
2161 1 6 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.093 -0.043 18318
2162 1 6 . 1 1 24 24 GLN C C 21 178.000 178.000 178.056 -0.056 18318
2163 1 6 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.314 -0.714 18318
2164 1 6 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.947 -1.347 18318
2165 1 6 . 1 1 24 24 GLN H H 21 8.130 8.130 7.647 0.483 18318
2166 1 6 . 1 1 25 25 CYS N N 22 121.500 121.500 117.549 3.951 18318
2167 1 6 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.502 -0.222 18318
2168 1 6 . 1 1 25 25 CYS C C 22 175.400 175.400 177.537 -2.137 18318
2169 1 6 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.937 -2.337 18318
2170 1 6 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.419 13.481 18318
2171 1 6 . 1 1 25 25 CYS H H 22 7.610 7.610 8.174 -0.564 18318
2172 1 6 . 1 1 26 26 VAL N N 23 119.900 119.900 118.682 1.218 18318
2173 1 6 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.169 -0.379 18318
2174 1 6 . 1 1 26 26 VAL C C 23 177.100 177.100 177.287 -0.187 18318
2175 1 6 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.710 1.190 18318
2176 1 6 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.473 -2.173 18318
2177 1 6 . 1 1 26 26 VAL H H 23 8.040 8.040 7.239 0.801 18318
2178 1 6 . 1 1 27 27 ALA N N 24 117.400 117.400 122.098 -4.698 18318
2179 1 6 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.113 -0.013 18318
2180 1 6 . 1 1 27 27 ALA C C 24 178.600 178.600 178.895 -0.295 18318
2181 1 6 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.544 -0.444 18318
2182 1 6 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.576 -0.676 18318
2183 1 6 . 1 1 27 27 ALA H H 24 7.430 7.430 7.510 -0.080 18318
2184 1 6 . 1 1 28 28 ALA N N 25 116.100 116.100 120.744 -4.644 18318
2185 1 6 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.147 0.183 18318
2186 1 6 . 1 1 28 28 ALA C C 25 178.100 178.100 178.096 0.004 18318
2187 1 6 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.843 -1.243 18318
2188 1 6 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.518 -0.418 18318
2189 1 6 . 1 1 28 28 ALA H H 25 7.120 7.120 7.993 -0.873 18318
2190 1 6 . 1 1 29 29 LYS N N 26 119.200 119.200 113.587 5.613 18318
2191 1 6 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.297 5.403 18318
2192 1 6 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.938 -1.837 18318
2193 1 6 . 1 1 29 29 LYS H H 26 7.560 7.560 7.406 0.154 18318
2194 1 6 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.314 -0.104 18318
2195 1 6 . 1 1 30 30 PRO C C 27 177.000 177.000 178.344 -1.344 18318
2196 1 6 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.430 0.470 18318
2197 1 6 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.064 -0.464 18318
2198 1 6 . 1 1 31 31 GLU N N 28 114.600 114.600 118.029 -3.429 18318
2199 1 6 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.252 0.198 18318
2200 1 6 . 1 1 31 31 GLU C C 28 176.100 176.100 178.259 -2.159 18318
2201 1 6 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.476 -1.276 18318
2202 1 6 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.492 1.108 18318
2203 1 6 . 1 1 31 31 GLU H H 28 8.770 8.770 8.738 0.032 18318
2204 1 6 . 1 1 32 32 SER N N 29 111.000 111.000 115.650 -4.650 18318
2205 1 6 . 1 1 32 32 SER HA H 29 4.510 4.510 4.274 0.236 18318
2206 1 6 . 1 1 32 32 SER C C 29 176.600 176.600 175.807 0.793 18318
2207 1 6 . 1 1 32 32 SER CA C 29 58.500 58.500 60.347 -1.847 18318
2208 1 6 . 1 1 32 32 SER CB C 29 63.800 63.800 62.438 1.362 18318
2209 1 6 . 1 1 32 32 SER H H 29 7.750 7.750 8.317 -0.567 18318
2210 1 6 . 1 1 33 33 TRP N N 30 125.000 125.000 124.326 0.674 18318
2211 1 6 . 1 1 33 33 TRP C C 30 177.200 177.200 177.723 -0.523 18318
2212 1 6 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.858 -0.857 18318
2213 1 6 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.598 0.902 18318
2214 1 6 . 1 1 33 33 TRP H H 30 7.820 7.820 7.549 0.271 18318
2215 1 6 . 1 1 34 34 GLN N N 31 123.600 123.600 116.278 7.322 18318
2216 1 6 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.614 0.836 18318
2217 1 6 . 1 1 34 34 GLN C C 31 176.800 176.800 176.891 -0.091 18318
2218 1 6 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.307 2.593 18318
2219 1 6 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.399 -1.899 18318
2220 1 6 . 1 1 34 34 GLN H H 31 8.240 8.240 7.475 0.765 18318
2221 1 6 . 1 1 35 35 ARG N N 32 115.900 115.900 117.923 -2.023 18318
2222 1 6 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.963 0.317 18318
2223 1 6 . 1 1 35 35 ARG C C 32 178.900 178.900 178.402 0.498 18318
2224 1 6 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.933 -1.533 18318
2225 1 6 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.363 0.937 18318
2226 1 6 . 1 1 35 35 ARG H H 32 7.450 7.450 7.375 0.075 18318
2227 1 6 . 1 1 36 36 ASP N N 33 117.700 117.700 118.896 -1.196 18318
2228 1 6 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.508 -0.368 18318
2229 1 6 . 1 1 36 36 ASP C C 33 177.600 177.600 177.019 0.581 18318
2230 1 6 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.264 0.936 18318
2231 1 6 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.174 -0.274 18318
2232 1 6 . 1 1 36 36 ASP H H 33 8.760 8.760 8.355 0.405 18318
2233 1 6 . 1 1 37 37 CYS N N 34 113.300 113.300 115.989 -2.689 18318
2234 1 6 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.518 0.882 18318
2235 1 6 . 1 1 37 37 CYS C C 34 175.800 175.800 174.225 1.575 18318
2236 1 6 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.527 -3.427 18318
2237 1 6 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.727 13.774 18318
2238 1 6 . 1 1 37 37 CYS H H 34 8.260 8.260 7.650 0.610 18318
2239 1 6 . 1 1 38 38 HIS N N 35 124.200 124.200 125.271 -1.071 18318
2240 1 6 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.185 0.165 18318
2241 1 6 . 1 1 38 38 HIS C C 35 177.400 177.400 175.891 1.509 18318
2242 1 6 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.910 2.091 18318
2243 1 6 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.939 -0.339 18318
2244 1 6 . 1 1 38 38 HIS H H 35 7.520 7.520 8.017 -0.497 18318
2245 1 6 . 1 1 39 39 TYR N N 36 117.100 117.100 115.986 1.114 18318
2246 1 6 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.300 -0.000 18318
2247 1 6 . 1 1 39 39 TYR C C 36 177.700 177.700 176.959 0.741 18318
2248 1 6 . 1 1 39 39 TYR CA C 36 60.600 60.600 59.571 1.029 18318
2249 1 6 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.127 -0.927 18318
2250 1 6 . 1 1 39 39 TYR H H 36 8.930 8.930 7.866 1.064 18318
2251 1 6 . 1 1 40 40 LEU N N 37 122.000 122.000 119.236 2.764 18318
2252 1 6 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.201 -0.031 18318
2253 1 6 . 1 1 40 40 LEU C C 37 179.400 179.400 178.964 0.436 18318
2254 1 6 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.112 -0.612 18318
2255 1 6 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.355 1.045 18318
2256 1 6 . 1 1 40 40 LEU H H 37 6.940 6.940 7.781 -0.841 18318
2257 1 6 . 1 1 41 41 LYS N N 38 125.300 125.300 120.467 4.833 18318
2258 1 6 . 1 1 41 41 LYS C C 38 179.600 179.600 178.349 1.251 18318
2259 1 6 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.065 0.535 18318
2260 1 6 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.766 -0.766 18318
2261 1 6 . 1 1 41 41 LYS H H 38 7.880 7.880 7.786 0.094 18318
2262 1 6 . 1 1 42 42 MET N N 39 117.600 117.600 117.882 -0.282 18318
2263 1 6 . 1 1 42 42 MET HA H 39 4.120 4.120 4.357 -0.237 18318
2264 1 6 . 1 1 42 42 MET C C 39 178.900 178.900 178.406 0.494 18318
2265 1 6 . 1 1 42 42 MET CA C 39 57.200 57.200 58.065 -0.865 18318
2266 1 6 . 1 1 42 42 MET CB C 39 30.000 30.000 32.836 -2.836 18318
2267 1 6 . 1 1 42 42 MET H H 39 8.090 8.090 7.706 0.384 18318
2268 1 6 . 1 1 43 43 SER N N 40 115.900 115.900 116.885 -0.985 18318
2269 1 6 . 1 1 43 43 SER HA H 40 4.290 4.290 4.375 -0.085 18318
2270 1 6 . 1 1 43 43 SER C C 40 177.400 177.400 176.702 0.698 18318
2271 1 6 . 1 1 43 43 SER CA C 40 61.700 61.700 61.749 -0.049 18318
2272 1 6 . 1 1 43 43 SER CB C 40 62.500 62.500 63.549 -1.049 18318
2273 1 6 . 1 1 43 43 SER H H 40 7.600 7.600 7.649 -0.049 18318
2274 1 6 . 1 1 44 44 ILE N N 41 121.900 121.900 119.632 2.268 18318
2275 1 6 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.865 -0.325 18318
2276 1 6 . 1 1 44 44 ILE C C 41 177.500 177.500 177.169 0.331 18318
2277 1 6 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.086 2.014 18318
2278 1 6 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.086 0.814 18318
2279 1 6 . 1 1 44 44 ILE H H 41 7.540 7.540 8.297 -0.757 18318
2280 1 6 . 1 1 45 45 ALA N N 42 122.600 122.600 121.934 0.666 18318
2281 1 6 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.935 0.245 18318
2282 1 6 . 1 1 45 45 ALA C C 42 180.200 180.200 179.720 0.480 18318
2283 1 6 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.231 -0.431 18318
2284 1 6 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.186 -0.886 18318
2285 1 6 . 1 1 45 45 ALA H H 42 7.420 7.420 7.720 -0.300 18318
2286 1 6 . 1 1 46 46 GLN N N 43 118.400 118.400 117.385 1.015 18318
2287 1 6 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.058 -0.088 18318
2288 1 6 . 1 1 46 46 GLN C C 43 178.500 178.500 177.172 1.328 18318
2289 1 6 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.178 0.522 18318
2290 1 6 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.885 -1.085 18318
2291 1 6 . 1 1 46 46 GLN H H 43 8.290 8.290 7.809 0.481 18318
2292 1 6 . 1 1 47 47 CYS N N 44 119.500 119.500 117.280 2.220 18318
2293 1 6 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.208 -0.118 18318
2294 1 6 . 1 1 47 47 CYS C C 44 176.500 176.500 177.685 -1.185 18318
2295 1 6 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.215 -0.916 18318
2296 1 6 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.565 13.335 18318
2297 1 6 . 1 1 47 47 CYS H H 44 7.590 7.590 7.718 -0.128 18318
2298 1 6 . 1 1 48 48 THR N N 45 113.000 113.000 114.279 -1.279 18318
2299 1 6 . 1 1 48 48 THR C C 45 175.900 175.900 175.783 0.117 18318
2300 1 6 . 1 1 48 48 THR CA C 45 65.400 65.400 64.937 0.463 18318
2301 1 6 . 1 1 48 48 THR CB C 45 68.800 68.800 68.426 0.374 18318
2302 1 6 . 1 1 48 48 THR H H 45 8.810 8.810 7.720 1.090 18318
2303 1 6 . 1 1 49 49 SER N N 46 113.200 113.200 116.770 -3.570 18318
2304 1 6 . 1 1 49 49 SER HA H 46 4.380 4.380 4.415 -0.035 18318
2305 1 6 . 1 1 49 49 SER C C 46 175.600 175.600 174.319 1.281 18318
2306 1 6 . 1 1 49 49 SER CA C 46 60.000 60.000 58.646 1.354 18318
2307 1 6 . 1 1 49 49 SER CB C 46 63.900 63.900 62.835 1.065 18318
2308 1 6 . 1 1 49 49 SER H H 46 7.890 7.890 7.568 0.322 18318
2309 1 6 . 1 1 50 50 SER N N 47 114.100 114.100 116.236 -2.136 18318
2310 1 6 . 1 1 50 50 SER HA H 47 4.390 4.390 4.348 0.042 18318
2311 1 6 . 1 1 50 50 SER CA C 47 59.100 59.100 59.399 -0.299 18318
2312 1 6 . 1 1 50 50 SER CB C 47 64.800 64.800 64.015 0.785 18318
2313 1 6 . 1 1 50 50 SER H H 47 7.770 7.770 7.482 0.288 18318
2314 1 6 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.012 0.578 18318
2315 1 6 . 1 1 55 55 ARG C C 52 178.500 178.500 178.122 0.378 18318
2316 1 6 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.367 0.633 18318
2317 1 6 . 1 1 56 56 GLN N N 53 117.700 117.700 117.613 0.087 18318
2318 1 6 . 1 1 56 56 GLN C C 53 175.000 175.000 178.159 -3.159 18318
2319 1 6 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.457 0.743 18318
2320 1 6 . 1 1 56 56 GLN H H 53 8.110 8.110 8.588 -0.478 18318
2321 1 6 . 1 1 57 57 ILE N N 54 121.200 121.200 118.429 2.771 18318
2322 1 6 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.939 -0.619 18318
2323 1 6 . 1 1 57 57 ILE C C 54 178.700 178.700 178.236 0.464 18318
2324 1 6 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.511 3.489 18318
2325 1 6 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.660 1.040 18318
2326 1 6 . 1 1 57 57 ILE H H 54 7.820 7.820 7.414 0.406 18318
2327 1 6 . 1 1 58 58 ARG N N 55 118.900 118.900 120.640 -1.740 18318
2328 1 6 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.948 0.362 18318
2329 1 6 . 1 1 58 58 ARG C C 55 178.600 178.600 177.514 1.086 18318
2330 1 6 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.807 1.093 18318
2331 1 6 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.093 1.407 18318
2332 1 6 . 1 1 58 58 ARG H H 55 8.250 8.250 7.995 0.255 18318
2333 1 6 . 1 1 59 59 GLN N N 56 115.800 115.800 116.836 -1.036 18318
2334 1 6 . 1 1 59 59 GLN C C 56 178.100 178.100 176.973 1.127 18318
2335 1 6 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.900 0.100 18318
2336 1 6 . 1 1 59 59 GLN CB C 56 28.800 28.800 29.143 -0.343 18318
2337 1 6 . 1 1 59 59 GLN H H 56 7.920 7.920 8.074 -0.154 18318
2338 1 6 . 1 1 60 60 ALA N N 57 121.600 121.600 120.932 0.668 18318
2339 1 6 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.219 -0.039 18318
2340 1 6 . 1 1 60 60 ALA C C 57 179.600 179.600 178.423 1.177 18318
2341 1 6 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.776 0.724 18318
2342 1 6 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.950 -0.050 18318
2343 1 6 . 1 1 60 60 ALA H H 57 8.490 8.490 7.375 1.115 18318
2344 1 6 . 1 1 61 61 CYS N N 58 114.000 114.000 116.638 -2.638 18318
2345 1 6 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.476 0.654 18318
2346 1 6 . 1 1 61 61 CYS C C 58 175.000 175.000 174.934 0.066 18318
2347 1 6 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.645 -6.945 18318
2348 1 6 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.369 15.431 18318
2349 1 6 . 1 1 61 61 CYS H H 58 8.370 8.370 8.224 0.146 18318
2350 1 6 . 1 1 62 62 ALA N N 59 124.900 124.900 128.199 -3.299 18318
2351 1 6 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.337 -0.067 18318
2352 1 6 . 1 1 62 62 ALA C C 59 179.200 179.200 178.373 0.827 18318
2353 1 6 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.904 3.596 18318
2354 1 6 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.914 -1.114 18318
2355 1 6 . 1 1 62 62 ALA H H 59 7.200 7.200 8.284 -1.084 18318
2356 1 6 . 1 1 63 63 GLN N N 60 115.800 115.800 119.793 -3.993 18318
2357 1 6 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.055 0.425 18318
2358 1 6 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.252 -0.052 18318
2359 1 6 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.929 -2.229 18318
2360 1 6 . 1 1 63 63 GLN H H 60 9.040 9.040 8.850 0.190 18318
2361 1 6 . 1 1 64 64 PRO C C 61 179.700 179.700 177.586 2.114 18318
2362 1 6 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.174 0.426 18318
2363 1 6 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.180 -0.380 18318
2364 1 6 . 1 1 65 65 PHE N N 62 120.500 120.500 118.684 1.816 18318
2365 1 6 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.300 -0.020 18318
2366 1 6 . 1 1 65 65 PHE C C 62 176.400 176.400 176.925 -0.525 18318
2367 1 6 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.928 1.472 18318
2368 1 6 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.284 -0.684 18318
2369 1 6 . 1 1 65 65 PHE H H 62 8.500 8.500 8.060 0.440 18318
2370 1 6 . 1 1 66 66 GLU N N 63 120.200 120.200 119.939 0.261 18318
2371 1 6 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.866 0.164 18318
2372 1 6 . 1 1 66 66 GLU C C 63 179.300 179.300 178.285 1.015 18318
2373 1 6 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.149 0.051 18318
2374 1 6 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.736 -1.236 18318
2375 1 6 . 1 1 66 66 GLU H H 63 8.900 8.900 8.436 0.464 18318
2376 1 6 . 1 1 67 67 ALA N N 64 120.600 120.600 122.199 -1.599 18318
2377 1 6 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.903 -0.033 18318
2378 1 6 . 1 1 67 67 ALA C C 64 180.500 180.500 179.642 0.858 18318
2379 1 6 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.916 -0.216 18318
2380 1 6 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.104 -0.004 18318
2381 1 6 . 1 1 67 67 ALA H H 64 8.150 8.150 7.196 0.954 18318
2382 1 6 . 1 1 68 68 PHE N N 65 120.000 120.000 116.887 3.113 18318
2383 1 6 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.098 0.222 18318
2384 1 6 . 1 1 68 68 PHE C C 65 175.400 175.400 177.918 -2.518 18318
2385 1 6 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.817 -0.017 18318
2386 1 6 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.582 0.418 18318
2387 1 6 . 1 1 68 68 PHE H H 65 7.810 7.810 6.944 0.866 18318
2388 1 6 . 1 1 69 69 GLU N N 66 119.400 119.400 118.594 0.806 18318
2389 1 6 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.902 0.268 18318
2390 1 6 . 1 1 69 69 GLU C C 66 178.800 178.800 178.763 0.037 18318
2391 1 6 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.036 1.164 18318
2392 1 6 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.191 -0.091 18318
2393 1 6 . 1 1 69 69 GLU H H 66 8.330 8.330 7.705 0.625 18318
2394 1 6 . 1 1 70 70 GLU N N 67 118.600 118.600 119.189 -0.589 18318
2395 1 6 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.167 -0.197 18318
2396 1 6 . 1 1 70 70 GLU C C 67 177.700 177.700 178.450 -0.750 18318
2397 1 6 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.681 0.118 18318
2398 1 6 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.762 -1.062 18318
2399 1 6 . 1 1 70 70 GLU H H 67 8.240 8.240 7.841 0.399 18318
2400 1 6 . 1 1 71 71 CYS N N 68 119.100 119.100 119.117 -0.017 18318
2401 1 6 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.230 -0.150 18318
2402 1 6 . 1 1 71 71 CYS C C 68 177.900 177.900 177.390 0.510 18318
2403 1 6 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.383 -2.783 18318
2404 1 6 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.548 12.452 18318
2405 1 6 . 1 1 71 71 CYS H H 68 7.580 7.580 7.753 -0.173 18318
2406 1 6 . 1 1 72 72 LEU N N 69 122.000 122.000 118.841 3.159 18318
2407 1 6 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.232 -0.532 18318
2408 1 6 . 1 1 72 72 LEU C C 69 179.300 179.300 178.704 0.596 18318
2409 1 6 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.029 0.571 18318
2410 1 6 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.502 -0.502 18318
2411 1 6 . 1 1 72 72 LEU H H 69 8.090 8.090 7.783 0.307 18318
2412 1 6 . 1 1 73 73 ARG N N 70 117.400 117.400 118.602 -1.202 18318
2413 1 6 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.980 0.030 18318
2414 1 6 . 1 1 73 73 ARG C C 70 178.500 178.500 177.758 0.742 18318
2415 1 6 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.970 -0.270 18318
2416 1 6 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.979 0.121 18318
2417 1 6 . 1 1 73 73 ARG H H 70 7.600 7.600 7.554 0.046 18318
2418 1 6 . 1 1 74 74 GLN N N 71 115.800 115.800 116.137 -0.337 18318
2419 1 6 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.396 -0.106 18318
2420 1 6 . 1 1 74 74 GLN C C 71 176.200 176.200 176.405 -0.205 18318
2421 1 6 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.806 -0.406 18318
2422 1 6 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.644 -1.444 18318
2423 1 6 . 1 1 74 74 GLN H H 71 7.580 7.580 7.825 -0.245 18318
2424 1 6 . 1 1 75 75 ASN N N 72 118.600 118.600 120.495 -1.895 18318
2425 1 6 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.953 0.037 18318
2426 1 6 . 1 1 75 75 ASN C C 72 174.800 174.800 175.112 -0.312 18318
2427 1 6 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.772 0.228 18318
2428 1 6 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.182 1.617 18318
2429 1 6 . 1 1 75 75 ASN H H 72 7.750 7.750 8.369 -0.619 18318
2430 1 6 . 1 1 76 76 GLU N N 73 120.200 120.200 120.660 -0.460 18318
2431 1 6 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.059 -0.099 18318
2432 1 6 . 1 1 76 76 GLU C C 73 176.800 176.800 177.066 -0.266 18318
2433 1 6 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.707 0.493 18318
2434 1 6 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.287 -0.187 18318
2435 1 6 . 1 1 76 76 GLU H H 73 7.950 7.950 8.263 -0.313 18318
2436 1 6 . 1 1 77 77 ALA N N 74 119.200 119.200 121.472 -2.272 18318
2437 1 6 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.382 -0.022 18318
2438 1 6 . 1 1 77 77 ALA C C 74 175.400 175.400 178.009 -2.609 18318
2439 1 6 . 1 1 77 77 ALA CA C 74 52.100 52.100 53.225 -1.125 18318
2440 1 6 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.620 -0.420 18318
2441 1 6 . 1 1 77 77 ALA H H 74 8.320 8.320 8.291 0.029 18318
2442 1 6 . 1 1 78 78 ALA N N 75 124.400 124.400 121.361 3.039 18318
2443 1 6 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.488 -0.108 18318
2444 1 6 . 1 1 78 78 ALA C C 75 177.200 177.200 177.548 -0.348 18318
2445 1 6 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.444 -0.044 18318
2446 1 6 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.334 0.666 18318
2447 1 6 . 1 1 78 78 ALA H H 75 7.900 7.900 7.899 0.001 18318
2448 1 6 . 1 1 79 79 VAL N N 76 118.400 118.400 118.401 -0.001 18318
2449 1 6 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.203 -0.413 18318
2450 1 6 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.551 1.549 18318
2451 1 6 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.308 -0.008 18318
2452 1 6 . 1 1 79 79 VAL H H 76 8.100 8.100 7.338 0.762 18318
2453 1 6 . 1 1 80 80 GLY C C 77 175.900 175.900 175.154 0.746 18318
2454 1 6 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.823 -0.423 18318
2455 1 6 . 1 1 81 81 ASN N N 78 119.300 119.300 118.329 0.971 18318
2456 1 6 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.816 -0.216 18318
2457 1 6 . 1 1 81 81 ASN C C 78 176.700 176.700 174.842 1.858 18318
2458 1 6 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.265 1.235 18318
2459 1 6 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.045 -2.745 18318
2460 1 6 . 1 1 81 81 ASN H H 78 8.200 8.200 7.882 0.318 18318
2461 1 6 . 1 1 82 82 CYS N N 79 117.200 117.200 119.935 -2.735 18318
2462 1 6 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.722 0.678 18318
2463 1 6 . 1 1 82 82 CYS C C 79 175.800 175.800 172.795 3.005 18318
2464 1 6 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.367 -3.867 18318
2465 1 6 . 1 1 82 82 CYS CB C 79 39.300 39.300 28.732 10.568 18318
2466 1 6 . 1 1 82 82 CYS H H 79 8.330 8.330 7.694 0.636 18318
2467 1 6 . 1 1 83 83 ALA N N 80 125.000 125.000 128.015 -3.015 18318
2468 1 6 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.661 -0.511 18318
2469 1 6 . 1 1 83 83 ALA C C 80 179.900 179.900 176.921 2.979 18318
2470 1 6 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.172 5.028 18318
2471 1 6 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.481 -2.281 18318
2472 1 6 . 1 1 83 83 ALA H H 80 7.700 7.700 8.514 -0.814 18318
2473 1 6 . 1 1 84 84 GLU N N 81 118.900 118.900 125.331 -6.431 18318
2474 1 6 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.024 -0.074 18318
2475 1 6 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.509 0.491 18318
2476 1 6 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.558 -0.658 18318
2477 1 6 . 1 1 84 84 GLU H H 81 8.920 8.920 8.883 0.037 18318
2478 1 6 . 1 1 85 85 HIS C C 82 178.500 178.500 176.477 2.023 18318
2479 1 6 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.683 -1.583 18318
2480 1 6 . 1 1 86 86 MET N N 83 118.800 118.800 118.808 -0.008 18318
2481 1 6 . 1 1 86 86 MET C C 83 177.200 177.200 177.923 -0.723 18318
2482 1 6 . 1 1 86 86 MET CA C 83 58.900 58.900 57.596 1.304 18318
2483 1 6 . 1 1 86 86 MET CB C 83 31.300 31.300 32.656 -1.356 18318
2484 1 6 . 1 1 86 86 MET H H 83 7.460 7.460 8.173 -0.713 18318
2485 1 6 . 1 1 87 87 ARG N N 84 119.500 119.500 117.987 1.513 18318
2486 1 6 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.953 -0.043 18318
2487 1 6 . 1 1 87 87 ARG C C 84 178.600 178.600 178.119 0.481 18318
2488 1 6 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.994 0.906 18318
2489 1 6 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.387 0.113 18318
2490 1 6 . 1 1 87 87 ARG H H 84 8.220 8.220 7.674 0.546 18318
2491 1 6 . 1 1 88 88 ARG N N 85 117.900 117.900 118.993 -1.093 18318
2492 1 6 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.805 0.115 18318
2493 1 6 . 1 1 88 88 ARG C C 85 179.700 179.700 178.568 1.132 18318
2494 1 6 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.237 -0.737 18318
2495 1 6 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.903 0.097 18318
2496 1 6 . 1 1 88 88 ARG H H 85 8.100 8.100 7.464 0.636 18318
2497 1 6 . 1 1 89 89 PHE N N 86 119.700 119.700 117.814 1.886 18318
2498 1 6 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.429 -0.079 18318
2499 1 6 . 1 1 89 89 PHE C C 86 175.600 175.600 177.582 -1.982 18318
2500 1 6 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.309 0.791 18318
2501 1 6 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.980 -1.179 18318
2502 1 6 . 1 1 89 89 PHE H H 86 7.930 7.930 7.860 0.070 18318
2503 1 6 . 1 1 90 90 LEU N N 87 120.400 120.400 120.479 -0.079 18318
2504 1 6 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.928 -0.218 18318
2505 1 6 . 1 1 90 90 LEU C C 87 179.200 179.200 178.758 0.442 18318
2506 1 6 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.056 -0.356 18318
2507 1 6 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.846 -1.546 18318
2508 1 6 . 1 1 90 90 LEU H H 87 8.640 8.640 7.573 1.067 18318
2509 1 6 . 1 1 91 91 GLN N N 88 118.200 118.200 118.800 -0.600 18318
2510 1 6 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.176 -0.136 18318
2511 1 6 . 1 1 91 91 GLN C C 88 178.000 178.000 178.650 -0.650 18318
2512 1 6 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.937 -0.237 18318
2513 1 6 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.560 -0.560 18318
2514 1 6 . 1 1 91 91 GLN H H 88 8.380 8.380 8.645 -0.265 18318
2515 1 6 . 1 1 92 92 CYS N N 89 119.000 119.000 117.661 1.339 18318
2516 1 6 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.305 -0.255 18318
2517 1 6 . 1 1 92 92 CYS C C 89 176.600 176.600 177.253 -0.653 18318
2518 1 6 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.085 -1.985 18318
2519 1 6 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.709 13.791 18318
2520 1 6 . 1 1 92 92 CYS H H 89 7.390 7.390 7.934 -0.544 18318
2521 1 6 . 1 1 93 93 ALA N N 90 122.900 122.900 122.735 0.165 18318
2522 1 6 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.919 -0.009 18318
2523 1 6 . 1 1 93 93 ALA C C 90 179.200 179.200 179.794 -0.594 18318
2524 1 6 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.571 0.129 18318
2525 1 6 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.108 -0.308 18318
2526 1 6 . 1 1 93 93 ALA H H 90 8.410 8.410 7.494 0.916 18318
2527 1 6 . 1 1 94 94 GLU N N 91 115.800 115.800 119.525 -3.725 18318
2528 1 6 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.042 0.108 18318
2529 1 6 . 1 1 94 94 GLU C C 91 177.400 177.400 178.860 -1.460 18318
2530 1 6 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.730 -0.830 18318
2531 1 6 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.537 -0.137 18318
2532 1 6 . 1 1 94 94 GLU H H 91 7.880 7.880 7.902 -0.022 18318
2533 1 6 . 1 1 95 95 GLN N N 92 115.500 115.500 117.459 -1.959 18318
2534 1 6 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.109 0.181 18318
2535 1 6 . 1 1 95 95 GLN C C 92 176.600 176.600 177.068 -0.468 18318
2536 1 6 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.863 -1.563 18318
2537 1 6 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.157 -0.257 18318
2538 1 6 . 1 1 95 95 GLN H H 92 7.450 7.450 8.108 -0.658 18318
2539 1 7 . 1 1 15 15 CYS N N 12 117.500 117.500 119.921 -2.421 18318
2540 1 7 . 1 1 15 15 CYS C C 12 175.500 175.500 176.007 -0.507 18318
2541 1 7 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.871 -4.171 18318
2542 1 7 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.367 7.333 18318
2543 1 7 . 1 1 15 15 CYS H H 12 8.280 8.280 8.458 -0.178 18318
2544 1 7 . 1 1 16 16 GLY N N 13 108.700 108.700 108.916 -0.216 18318
2545 1 7 . 1 1 16 16 GLY C C 13 176.600 176.600 175.471 1.129 18318
2546 1 7 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.791 1.109 18318
2547 1 7 . 1 1 16 16 GLY H H 13 8.080 8.080 9.018 -0.938 18318
2548 1 7 . 1 1 17 17 ARG N N 14 123.300 123.300 121.023 2.277 18318
2549 1 7 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.039 -0.079 18318
2550 1 7 . 1 1 17 17 ARG C C 14 179.300 179.300 177.569 1.731 18318
2551 1 7 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.070 1.130 18318
2552 1 7 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.797 0.303 18318
2553 1 7 . 1 1 17 17 ARG H H 14 8.630 8.630 8.515 0.115 18318
2554 1 7 . 1 1 18 18 GLU N N 15 121.900 121.900 121.095 0.805 18318
2555 1 7 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.141 0.029 18318
2556 1 7 . 1 1 18 18 GLU C C 15 177.900 177.900 177.903 -0.003 18318
2557 1 7 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.434 1.666 18318
2558 1 7 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.011 -0.811 18318
2559 1 7 . 1 1 18 18 GLU H H 15 9.670 9.670 8.428 1.242 18318
2560 1 7 . 1 1 19 19 LEU N N 16 119.400 119.400 120.317 -0.917 18318
2561 1 7 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.392 2.508 18318
2562 1 7 . 1 1 19 19 LEU H H 16 8.090 8.090 7.811 0.279 18318
2563 1 7 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.011 -0.331 18318
2564 1 7 . 1 1 20 20 GLU C C 17 177.200 177.200 179.109 -1.909 18318
2565 1 7 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.447 -0.147 18318
2566 1 7 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.750 -0.750 18318
2567 1 7 . 1 1 21 21 GLN N N 18 118.500 118.500 119.505 -1.005 18318
2568 1 7 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.154 -0.114 18318
2569 1 7 . 1 1 21 21 GLN C C 18 177.200 177.200 178.082 -0.882 18318
2570 1 7 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.295 0.705 18318
2571 1 7 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.827 -0.127 18318
2572 1 7 . 1 1 21 21 GLN H H 18 8.560 8.560 8.166 0.394 18318
2573 1 7 . 1 1 22 22 TYR N N 19 120.700 120.700 120.555 0.145 18318
2574 1 7 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.363 -0.083 18318
2575 1 7 . 1 1 22 22 TYR C C 19 176.600 176.600 178.157 -1.557 18318
2576 1 7 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.703 1.397 18318
2577 1 7 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.153 0.747 18318
2578 1 7 . 1 1 22 22 TYR H H 19 8.120 8.120 8.803 -0.683 18318
2579 1 7 . 1 1 23 23 GLY N N 20 105.600 105.600 106.333 -0.733 18318
2580 1 7 . 1 1 23 23 GLY C C 20 176.700 176.700 176.040 0.660 18318
2581 1 7 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.517 0.583 18318
2582 1 7 . 1 1 23 23 GLY H H 20 8.390 8.390 7.784 0.606 18318
2583 1 7 . 1 1 24 24 GLN N N 21 120.300 120.300 121.472 -1.172 18318
2584 1 7 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.168 -0.118 18318
2585 1 7 . 1 1 24 24 GLN C C 21 178.000 178.000 178.222 -0.222 18318
2586 1 7 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.931 -0.332 18318
2587 1 7 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.803 -1.204 18318
2588 1 7 . 1 1 24 24 GLN H H 21 8.130 8.130 7.624 0.506 18318
2589 1 7 . 1 1 25 25 CYS N N 22 121.500 121.500 117.824 3.676 18318
2590 1 7 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.236 0.044 18318
2591 1 7 . 1 1 25 25 CYS C C 22 175.400 175.400 177.742 -2.342 18318
2592 1 7 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.167 -2.567 18318
2593 1 7 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.488 13.412 18318
2594 1 7 . 1 1 25 25 CYS H H 22 7.610 7.610 8.352 -0.742 18318
2595 1 7 . 1 1 26 26 VAL N N 23 119.900 119.900 118.832 1.068 18318
2596 1 7 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.058 -0.268 18318
2597 1 7 . 1 1 26 26 VAL C C 23 177.100 177.100 177.104 -0.004 18318
2598 1 7 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.986 0.915 18318
2599 1 7 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.587 -2.287 18318
2600 1 7 . 1 1 26 26 VAL H H 23 8.040 8.040 7.308 0.732 18318
2601 1 7 . 1 1 27 27 ALA N N 24 117.400 117.400 121.895 -4.495 18318
2602 1 7 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.106 -0.006 18318
2603 1 7 . 1 1 27 27 ALA C C 24 178.600 178.600 178.750 -0.150 18318
2604 1 7 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.513 -0.413 18318
2605 1 7 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.649 -0.749 18318
2606 1 7 . 1 1 27 27 ALA H H 24 7.430 7.430 7.581 -0.151 18318
2607 1 7 . 1 1 28 28 ALA N N 25 116.100 116.100 120.714 -4.614 18318
2608 1 7 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.178 0.152 18318
2609 1 7 . 1 1 28 28 ALA C C 25 178.100 178.100 177.925 0.175 18318
2610 1 7 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.695 -1.095 18318
2611 1 7 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.670 -0.570 18318
2612 1 7 . 1 1 28 28 ALA H H 25 7.120 7.120 7.868 -0.748 18318
2613 1 7 . 1 1 29 29 LYS N N 26 119.200 119.200 114.094 5.106 18318
2614 1 7 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.432 5.268 18318
2615 1 7 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.693 -2.593 18318
2616 1 7 . 1 1 29 29 LYS H H 26 7.560 7.560 7.381 0.179 18318
2617 1 7 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.316 -0.106 18318
2618 1 7 . 1 1 30 30 PRO C C 27 177.000 177.000 178.468 -1.468 18318
2619 1 7 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.483 0.417 18318
2620 1 7 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.047 -0.448 18318
2621 1 7 . 1 1 31 31 GLU N N 28 114.600 114.600 118.692 -4.092 18318
2622 1 7 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.361 0.089 18318
2623 1 7 . 1 1 31 31 GLU C C 28 176.100 176.100 178.439 -2.339 18318
2624 1 7 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.306 -1.106 18318
2625 1 7 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.914 0.686 18318
2626 1 7 . 1 1 31 31 GLU H H 28 8.770 8.770 8.815 -0.044 18318
2627 1 7 . 1 1 32 32 SER N N 29 111.000 111.000 115.561 -4.561 18318
2628 1 7 . 1 1 32 32 SER HA H 29 4.510 4.510 4.289 0.221 18318
2629 1 7 . 1 1 32 32 SER C C 29 176.600 176.600 176.098 0.502 18318
2630 1 7 . 1 1 32 32 SER CA C 29 58.500 58.500 60.294 -1.794 18318
2631 1 7 . 1 1 32 32 SER CB C 29 63.800 63.800 62.683 1.117 18318
2632 1 7 . 1 1 32 32 SER H H 29 7.750 7.750 8.275 -0.525 18318
2633 1 7 . 1 1 33 33 TRP N N 30 125.000 125.000 124.623 0.377 18318
2634 1 7 . 1 1 33 33 TRP C C 30 177.200 177.200 177.640 -0.440 18318
2635 1 7 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.193 -1.193 18318
2636 1 7 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.721 0.779 18318
2637 1 7 . 1 1 33 33 TRP H H 30 7.820 7.820 7.625 0.195 18318
2638 1 7 . 1 1 34 34 GLN N N 31 123.600 123.600 115.318 8.282 18318
2639 1 7 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.943 0.507 18318
2640 1 7 . 1 1 34 34 GLN C C 31 176.800 176.800 177.428 -0.628 18318
2641 1 7 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.062 2.838 18318
2642 1 7 . 1 1 34 34 GLN CB C 31 26.500 26.500 27.921 -1.421 18318
2643 1 7 . 1 1 34 34 GLN H H 31 8.240 8.240 7.528 0.712 18318
2644 1 7 . 1 1 35 35 ARG N N 32 115.900 115.900 119.367 -3.467 18318
2645 1 7 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.088 0.192 18318
2646 1 7 . 1 1 35 35 ARG C C 32 178.900 178.900 178.351 0.549 18318
2647 1 7 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.957 -1.557 18318
2648 1 7 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.562 0.738 18318
2649 1 7 . 1 1 35 35 ARG H H 32 7.450 7.450 7.448 0.002 18318
2650 1 7 . 1 1 36 36 ASP N N 33 117.700 117.700 119.049 -1.349 18318
2651 1 7 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.516 -0.376 18318
2652 1 7 . 1 1 36 36 ASP C C 33 177.600 177.600 176.876 0.724 18318
2653 1 7 . 1 1 36 36 ASP CA C 33 57.200 57.200 57.148 0.052 18318
2654 1 7 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.333 -0.433 18318
2655 1 7 . 1 1 36 36 ASP H H 33 8.760 8.760 8.363 0.397 18318
2656 1 7 . 1 1 37 37 CYS N N 34 113.300 113.300 116.816 -3.516 18318
2657 1 7 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.712 0.688 18318
2658 1 7 . 1 1 37 37 CYS C C 34 175.800 175.800 175.192 0.608 18318
2659 1 7 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.413 -3.313 18318
2660 1 7 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.648 13.852 18318
2661 1 7 . 1 1 37 37 CYS H H 34 8.260 8.260 7.687 0.573 18318
2662 1 7 . 1 1 38 38 HIS N N 35 124.200 124.200 124.196 0.004 18318
2663 1 7 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.365 -0.015 18318
2664 1 7 . 1 1 38 38 HIS C C 35 177.400 177.400 176.136 1.264 18318
2665 1 7 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.543 2.457 18318
2666 1 7 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.413 1.188 18318
2667 1 7 . 1 1 38 38 HIS H H 35 7.520 7.520 8.083 -0.563 18318
2668 1 7 . 1 1 39 39 TYR N N 36 117.100 117.100 120.366 -3.266 18318
2669 1 7 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.290 0.010 18318
2670 1 7 . 1 1 39 39 TYR C C 36 177.700 177.700 176.855 0.845 18318
2671 1 7 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.363 -0.763 18318
2672 1 7 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.294 -2.094 18318
2673 1 7 . 1 1 39 39 TYR H H 36 8.930 8.930 7.551 1.379 18318
2674 1 7 . 1 1 40 40 LEU N N 37 122.000 122.000 118.269 3.731 18318
2675 1 7 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.036 0.134 18318
2676 1 7 . 1 1 40 40 LEU C C 37 179.400 179.400 178.621 0.779 18318
2677 1 7 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.916 -1.416 18318
2678 1 7 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.491 0.909 18318
2679 1 7 . 1 1 40 40 LEU H H 37 6.940 6.940 8.197 -1.257 18318
2680 1 7 . 1 1 41 41 LYS N N 38 125.300 125.300 117.608 7.692 18318
2681 1 7 . 1 1 41 41 LYS C C 38 179.600 179.600 177.641 1.959 18318
2682 1 7 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.839 0.761 18318
2683 1 7 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.967 -0.967 18318
2684 1 7 . 1 1 41 41 LYS H H 38 7.880 7.880 8.016 -0.136 18318
2685 1 7 . 1 1 42 42 MET N N 39 117.600 117.600 118.941 -1.341 18318
2686 1 7 . 1 1 42 42 MET HA H 39 4.120 4.120 4.231 -0.111 18318
2687 1 7 . 1 1 42 42 MET C C 39 178.900 178.900 178.155 0.745 18318
2688 1 7 . 1 1 42 42 MET CA C 39 57.200 57.200 58.385 -1.185 18318
2689 1 7 . 1 1 42 42 MET CB C 39 30.000 30.000 32.498 -2.498 18318
2690 1 7 . 1 1 42 42 MET H H 39 8.090 8.090 7.536 0.554 18318
2691 1 7 . 1 1 43 43 SER N N 40 115.900 115.900 115.723 0.177 18318
2692 1 7 . 1 1 43 43 SER HA H 40 4.290 4.290 4.103 0.187 18318
2693 1 7 . 1 1 43 43 SER C C 40 177.400 177.400 176.582 0.818 18318
2694 1 7 . 1 1 43 43 SER CA C 40 61.700 61.700 62.127 -0.427 18318
2695 1 7 . 1 1 43 43 SER CB C 40 62.500 62.500 63.082 -0.582 18318
2696 1 7 . 1 1 43 43 SER H H 40 7.600 7.600 8.276 -0.676 18318
2697 1 7 . 1 1 44 44 ILE N N 41 121.900 121.900 116.759 5.141 18318
2698 1 7 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.931 -0.391 18318
2699 1 7 . 1 1 44 44 ILE C C 41 177.500 177.500 177.200 0.300 18318
2700 1 7 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.044 2.056 18318
2701 1 7 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.320 0.580 18318
2702 1 7 . 1 1 44 44 ILE H H 41 7.540 7.540 7.343 0.197 18318
2703 1 7 . 1 1 45 45 ALA N N 42 122.600 122.600 123.517 -0.917 18318
2704 1 7 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.946 0.234 18318
2705 1 7 . 1 1 45 45 ALA C C 42 180.200 180.200 179.701 0.499 18318
2706 1 7 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.361 -0.561 18318
2707 1 7 . 1 1 45 45 ALA CB C 42 17.300 17.300 17.967 -0.667 18318
2708 1 7 . 1 1 45 45 ALA H H 42 7.420 7.420 7.702 -0.282 18318
2709 1 7 . 1 1 46 46 GLN N N 43 118.400 118.400 116.158 2.242 18318
2710 1 7 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.097 -0.127 18318
2711 1 7 . 1 1 46 46 GLN C C 43 178.500 178.500 177.978 0.522 18318
2712 1 7 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.331 0.369 18318
2713 1 7 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.410 -0.610 18318
2714 1 7 . 1 1 46 46 GLN H H 43 8.290 8.290 7.832 0.458 18318
2715 1 7 . 1 1 47 47 CYS N N 44 119.500 119.500 121.761 -2.261 18318
2716 1 7 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.458 -0.368 18318
2717 1 7 . 1 1 47 47 CYS C C 44 176.500 176.500 176.733 -0.233 18318
2718 1 7 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.601 -1.301 18318
2719 1 7 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.144 13.756 18318
2720 1 7 . 1 1 47 47 CYS H H 44 7.590 7.590 7.918 -0.329 18318
2721 1 7 . 1 1 48 48 THR N N 45 113.000 113.000 113.345 -0.345 18318
2722 1 7 . 1 1 48 48 THR C C 45 175.900 175.900 176.133 -0.233 18318
2723 1 7 . 1 1 48 48 THR CA C 45 65.400 65.400 64.700 0.700 18318
2724 1 7 . 1 1 48 48 THR CB C 45 68.800 68.800 68.600 0.200 18318
2725 1 7 . 1 1 48 48 THR H H 45 8.810 8.810 8.267 0.543 18318
2726 1 7 . 1 1 49 49 SER N N 46 113.200 113.200 116.652 -3.452 18318
2727 1 7 . 1 1 49 49 SER HA H 46 4.380 4.380 4.289 0.091 18318
2728 1 7 . 1 1 49 49 SER C C 46 175.600 175.600 175.584 0.016 18318
2729 1 7 . 1 1 49 49 SER CA C 46 60.000 60.000 60.596 -0.596 18318
2730 1 7 . 1 1 49 49 SER CB C 46 63.900 63.900 63.730 0.170 18318
2731 1 7 . 1 1 49 49 SER H H 46 7.890 7.890 7.958 -0.068 18318
2732 1 7 . 1 1 50 50 SER N N 47 114.100 114.100 114.024 0.076 18318
2733 1 7 . 1 1 50 50 SER HA H 47 4.390 4.390 4.502 -0.112 18318
2734 1 7 . 1 1 50 50 SER CA C 47 59.100 59.100 59.297 -0.198 18318
2735 1 7 . 1 1 50 50 SER CB C 47 64.800 64.800 65.677 -0.877 18318
2736 1 7 . 1 1 50 50 SER H H 47 7.770 7.770 7.762 0.008 18318
2737 1 7 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.179 0.411 18318
2738 1 7 . 1 1 55 55 ARG C C 52 178.500 178.500 177.657 0.843 18318
2739 1 7 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.459 1.541 18318
2740 1 7 . 1 1 56 56 GLN N N 53 117.700 117.700 119.751 -2.051 18318
2741 1 7 . 1 1 56 56 GLN C C 53 175.000 175.000 178.539 -3.539 18318
2742 1 7 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.740 1.460 18318
2743 1 7 . 1 1 56 56 GLN H H 53 8.110 8.110 8.638 -0.528 18318
2744 1 7 . 1 1 57 57 ILE N N 54 121.200 121.200 114.288 6.912 18318
2745 1 7 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.810 -0.490 18318
2746 1 7 . 1 1 57 57 ILE C C 54 178.700 178.700 177.777 0.923 18318
2747 1 7 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.887 2.113 18318
2748 1 7 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.097 0.603 18318
2749 1 7 . 1 1 57 57 ILE H H 54 7.820 7.820 7.957 -0.137 18318
2750 1 7 . 1 1 58 58 ARG N N 55 118.900 118.900 118.550 0.350 18318
2751 1 7 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.032 0.278 18318
2752 1 7 . 1 1 58 58 ARG C C 55 178.600 178.600 177.590 1.010 18318
2753 1 7 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.406 1.494 18318
2754 1 7 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.965 1.535 18318
2755 1 7 . 1 1 58 58 ARG H H 55 8.250 8.250 7.830 0.420 18318
2756 1 7 . 1 1 59 59 GLN N N 56 115.800 115.800 117.869 -2.069 18318
2757 1 7 . 1 1 59 59 GLN C C 56 178.100 178.100 177.265 0.835 18318
2758 1 7 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.136 -0.136 18318
2759 1 7 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.673 0.127 18318
2760 1 7 . 1 1 59 59 GLN H H 56 7.920 7.920 7.720 0.200 18318
2761 1 7 . 1 1 60 60 ALA N N 57 121.600 121.600 121.269 0.331 18318
2762 1 7 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.043 0.137 18318
2763 1 7 . 1 1 60 60 ALA C C 57 179.600 179.600 176.781 2.819 18318
2764 1 7 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.471 0.029 18318
2765 1 7 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.269 -0.369 18318
2766 1 7 . 1 1 60 60 ALA H H 57 8.490 8.490 7.519 0.971 18318
2767 1 7 . 1 1 61 61 CYS N N 58 114.000 114.000 112.014 1.986 18318
2768 1 7 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.720 0.410 18318
2769 1 7 . 1 1 61 61 CYS C C 58 175.000 175.000 173.679 1.321 18318
2770 1 7 . 1 1 61 61 CYS CA C 58 52.700 52.700 57.717 -5.017 18318
2771 1 7 . 1 1 61 61 CYS CB C 58 39.800 39.800 27.850 11.950 18318
2772 1 7 . 1 1 61 61 CYS H H 58 8.370 8.370 7.380 0.990 18318
2773 1 7 . 1 1 62 62 ALA N N 59 124.900 124.900 126.473 -1.573 18318
2774 1 7 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.406 -0.136 18318
2775 1 7 . 1 1 62 62 ALA C C 59 179.200 179.200 178.511 0.689 18318
2776 1 7 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.803 3.697 18318
2777 1 7 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.213 -1.413 18318
2778 1 7 . 1 1 62 62 ALA H H 59 7.200 7.200 8.307 -1.107 18318
2779 1 7 . 1 1 63 63 GLN N N 60 115.800 115.800 119.866 -4.066 18318
2780 1 7 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.145 0.335 18318
2781 1 7 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.690 0.510 18318
2782 1 7 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.281 -2.581 18318
2783 1 7 . 1 1 63 63 GLN H H 60 9.040 9.040 8.671 0.369 18318
2784 1 7 . 1 1 64 64 PRO C C 61 179.700 179.700 178.113 1.587 18318
2785 1 7 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.850 -0.250 18318
2786 1 7 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.356 -0.556 18318
2787 1 7 . 1 1 65 65 PHE N N 62 120.500 120.500 119.519 0.981 18318
2788 1 7 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.522 -0.242 18318
2789 1 7 . 1 1 65 65 PHE C C 62 176.400 176.400 177.089 -0.689 18318
2790 1 7 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.673 1.727 18318
2791 1 7 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.846 -0.246 18318
2792 1 7 . 1 1 65 65 PHE H H 62 8.500 8.500 8.204 0.296 18318
2793 1 7 . 1 1 66 66 GLU N N 63 120.200 120.200 118.981 1.219 18318
2794 1 7 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.995 0.035 18318
2795 1 7 . 1 1 66 66 GLU C C 63 179.300 179.300 178.363 0.937 18318
2796 1 7 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.777 0.423 18318
2797 1 7 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.385 -0.885 18318
2798 1 7 . 1 1 66 66 GLU H H 63 8.900 8.900 8.411 0.489 18318
2799 1 7 . 1 1 67 67 ALA N N 64 120.600 120.600 123.477 -2.877 18318
2800 1 7 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.037 -0.167 18318
2801 1 7 . 1 1 67 67 ALA C C 64 180.500 180.500 179.070 1.430 18318
2802 1 7 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.103 -0.403 18318
2803 1 7 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.643 -0.543 18318
2804 1 7 . 1 1 67 67 ALA H H 64 8.150 8.150 7.427 0.723 18318
2805 1 7 . 1 1 68 68 PHE N N 65 120.000 120.000 116.744 3.256 18318
2806 1 7 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.176 0.144 18318
2807 1 7 . 1 1 68 68 PHE C C 65 175.400 175.400 177.124 -1.724 18318
2808 1 7 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.206 -0.406 18318
2809 1 7 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.516 -0.516 18318
2810 1 7 . 1 1 68 68 PHE H H 65 7.810 7.810 7.663 0.147 18318
2811 1 7 . 1 1 69 69 GLU N N 66 119.400 119.400 118.875 0.525 18318
2812 1 7 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.185 0.985 18318
2813 1 7 . 1 1 69 69 GLU C C 66 178.800 178.800 178.367 0.433 18318
2814 1 7 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.100 2.100 18318
2815 1 7 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.726 0.374 18318
2816 1 7 . 1 1 69 69 GLU H H 66 8.330 8.330 7.200 1.130 18318
2817 1 7 . 1 1 70 70 GLU N N 67 118.600 118.600 119.130 -0.530 18318
2818 1 7 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.193 -0.223 18318
2819 1 7 . 1 1 70 70 GLU C C 67 177.700 177.700 177.852 -0.152 18318
2820 1 7 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.165 0.635 18318
2821 1 7 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.907 -1.208 18318
2822 1 7 . 1 1 70 70 GLU H H 67 8.240 8.240 7.768 0.472 18318
2823 1 7 . 1 1 71 71 CYS N N 68 119.100 119.100 117.993 1.107 18318
2824 1 7 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.296 -0.216 18318
2825 1 7 . 1 1 71 71 CYS C C 68 177.900 177.900 176.893 1.007 18318
2826 1 7 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.170 -1.570 18318
2827 1 7 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.845 12.155 18318
2828 1 7 . 1 1 71 71 CYS H H 68 7.580 7.580 7.473 0.107 18318
2829 1 7 . 1 1 72 72 LEU N N 69 122.000 122.000 118.494 3.506 18318
2830 1 7 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.232 -0.532 18318
2831 1 7 . 1 1 72 72 LEU C C 69 179.300 179.300 178.694 0.606 18318
2832 1 7 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.740 0.860 18318
2833 1 7 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.241 -0.241 18318
2834 1 7 . 1 1 72 72 LEU H H 69 8.090 8.090 7.495 0.595 18318
2835 1 7 . 1 1 73 73 ARG N N 70 117.400 117.400 116.791 0.609 18318
2836 1 7 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.990 0.020 18318
2837 1 7 . 1 1 73 73 ARG C C 70 178.500 178.500 177.150 1.350 18318
2838 1 7 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.430 0.270 18318
2839 1 7 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.268 0.832 18318
2840 1 7 . 1 1 73 73 ARG H H 70 7.600 7.600 7.465 0.135 18318
2841 1 7 . 1 1 74 74 GLN N N 71 115.800 115.800 115.990 -0.190 18318
2842 1 7 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.455 -0.165 18318
2843 1 7 . 1 1 74 74 GLN C C 71 176.200 176.200 176.407 -0.207 18318
2844 1 7 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.914 -0.514 18318
2845 1 7 . 1 1 74 74 GLN CB C 71 29.200 29.200 31.052 -1.852 18318
2846 1 7 . 1 1 74 74 GLN H H 71 7.580 7.580 7.656 -0.076 18318
2847 1 7 . 1 1 75 75 ASN N N 72 118.600 118.600 118.140 0.460 18318
2848 1 7 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.020 -0.030 18318
2849 1 7 . 1 1 75 75 ASN C C 72 174.800 174.800 175.518 -0.718 18318
2850 1 7 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.391 0.609 18318
2851 1 7 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.730 1.070 18318
2852 1 7 . 1 1 75 75 ASN H H 72 7.750 7.750 8.053 -0.303 18318
2853 1 7 . 1 1 76 76 GLU N N 73 120.200 120.200 122.494 -2.294 18318
2854 1 7 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.862 0.098 18318
2855 1 7 . 1 1 76 76 GLU C C 73 176.800 176.800 177.031 -0.231 18318
2856 1 7 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.447 -0.247 18318
2857 1 7 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.146 -0.046 18318
2858 1 7 . 1 1 76 76 GLU H H 73 7.950 7.950 8.079 -0.129 18318
2859 1 7 . 1 1 77 77 ALA N N 74 119.200 119.200 120.361 -1.161 18318
2860 1 7 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.452 -0.092 18318
2861 1 7 . 1 1 77 77 ALA C C 74 175.400 175.400 177.002 -1.602 18318
2862 1 7 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.716 0.384 18318
2863 1 7 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.877 0.323 18318
2864 1 7 . 1 1 77 77 ALA H H 74 8.320 8.320 8.037 0.283 18318
2865 1 7 . 1 1 78 78 ALA N N 75 124.400 124.400 121.895 2.505 18318
2866 1 7 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.666 -0.286 18318
2867 1 7 . 1 1 78 78 ALA C C 75 177.200 177.200 177.884 -0.684 18318
2868 1 7 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.874 -0.474 18318
2869 1 7 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.620 -1.620 18318
2870 1 7 . 1 1 78 78 ALA H H 75 7.900 7.900 7.670 0.230 18318
2871 1 7 . 1 1 79 79 VAL N N 76 118.400 118.400 120.532 -2.132 18318
2872 1 7 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.916 -0.126 18318
2873 1 7 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.368 0.732 18318
2874 1 7 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.839 0.461 18318
2875 1 7 . 1 1 79 79 VAL H H 76 8.100 8.100 8.545 -0.445 18318
2876 1 7 . 1 1 80 80 GLY C C 77 175.900 175.900 175.482 0.418 18318
2877 1 7 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.317 0.083 18318
2878 1 7 . 1 1 81 81 ASN N N 78 119.300 119.300 118.859 0.441 18318
2879 1 7 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.780 -0.180 18318
2880 1 7 . 1 1 81 81 ASN C C 78 176.700 176.700 175.433 1.267 18318
2881 1 7 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.835 -0.335 18318
2882 1 7 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.602 -2.301 18318
2883 1 7 . 1 1 81 81 ASN H H 78 8.200 8.200 7.774 0.426 18318
2884 1 7 . 1 1 82 82 CYS N N 79 117.200 117.200 116.143 1.057 18318
2885 1 7 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.673 0.727 18318
2886 1 7 . 1 1 82 82 CYS C C 79 175.800 175.800 173.229 2.571 18318
2887 1 7 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.681 -4.181 18318
2888 1 7 . 1 1 82 82 CYS CB C 79 39.300 39.300 28.880 10.420 18318
2889 1 7 . 1 1 82 82 CYS H H 79 8.330 8.330 8.349 -0.019 18318
2890 1 7 . 1 1 83 83 ALA N N 80 125.000 125.000 125.480 -0.480 18318
2891 1 7 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.689 -0.539 18318
2892 1 7 . 1 1 83 83 ALA C C 80 179.900 179.900 176.960 2.940 18318
2893 1 7 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.311 3.889 18318
2894 1 7 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.368 -1.168 18318
2895 1 7 . 1 1 83 83 ALA H H 80 7.700 7.700 8.404 -0.704 18318
2896 1 7 . 1 1 84 84 GLU N N 81 118.900 118.900 120.398 -1.498 18318
2897 1 7 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.077 -0.127 18318
2898 1 7 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.206 0.794 18318
2899 1 7 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.582 -0.682 18318
2900 1 7 . 1 1 84 84 GLU H H 81 8.920 8.920 8.873 0.047 18318
2901 1 7 . 1 1 85 85 HIS C C 82 178.500 178.500 176.888 1.612 18318
2902 1 7 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.519 -2.419 18318
2903 1 7 . 1 1 86 86 MET N N 83 118.800 118.800 117.088 1.712 18318
2904 1 7 . 1 1 86 86 MET C C 83 177.200 177.200 178.420 -1.220 18318
2905 1 7 . 1 1 86 86 MET CA C 83 58.900 58.900 58.616 0.284 18318
2906 1 7 . 1 1 86 86 MET CB C 83 31.300 31.300 31.774 -0.474 18318
2907 1 7 . 1 1 86 86 MET H H 83 7.460 7.460 7.128 0.332 18318
2908 1 7 . 1 1 87 87 ARG N N 84 119.500 119.500 119.819 -0.319 18318
2909 1 7 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.077 -0.167 18318
2910 1 7 . 1 1 87 87 ARG C C 84 178.600 178.600 178.862 -0.262 18318
2911 1 7 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.696 1.204 18318
2912 1 7 . 1 1 87 87 ARG CB C 84 29.500 29.500 30.078 -0.578 18318
2913 1 7 . 1 1 87 87 ARG H H 84 8.220 8.220 7.716 0.504 18318
2914 1 7 . 1 1 88 88 ARG N N 85 117.900 117.900 120.033 -2.133 18318
2915 1 7 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.017 -0.097 18318
2916 1 7 . 1 1 88 88 ARG C C 85 179.700 179.700 178.371 1.329 18318
2917 1 7 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.805 0.695 18318
2918 1 7 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.228 0.772 18318
2919 1 7 . 1 1 88 88 ARG H H 85 8.100 8.100 8.074 0.026 18318
2920 1 7 . 1 1 89 89 PHE N N 86 119.700 119.700 119.326 0.374 18318
2921 1 7 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.216 0.134 18318
2922 1 7 . 1 1 89 89 PHE C C 86 175.600 175.600 178.018 -2.418 18318
2923 1 7 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.874 -0.775 18318
2924 1 7 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.729 -0.929 18318
2925 1 7 . 1 1 89 89 PHE H H 86 7.930 7.930 8.125 -0.195 18318
2926 1 7 . 1 1 90 90 LEU N N 87 120.400 120.400 117.375 3.025 18318
2927 1 7 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.208 -0.498 18318
2928 1 7 . 1 1 90 90 LEU C C 87 179.200 179.200 178.609 0.591 18318
2929 1 7 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.321 0.380 18318
2930 1 7 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.926 -1.626 18318
2931 1 7 . 1 1 90 90 LEU H H 87 8.640 8.640 7.615 1.025 18318
2932 1 7 . 1 1 91 91 GLN N N 88 118.200 118.200 119.819 -1.619 18318
2933 1 7 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.123 -0.083 18318
2934 1 7 . 1 1 91 91 GLN C C 88 178.000 178.000 178.418 -0.418 18318
2935 1 7 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.056 -0.356 18318
2936 1 7 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.362 -0.362 18318
2937 1 7 . 1 1 91 91 GLN H H 88 8.380 8.380 7.416 0.964 18318
2938 1 7 . 1 1 92 92 CYS N N 89 119.000 119.000 117.686 1.314 18318
2939 1 7 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.276 -0.226 18318
2940 1 7 . 1 1 92 92 CYS C C 89 176.600 176.600 176.880 -0.280 18318
2941 1 7 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.993 -0.894 18318
2942 1 7 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.791 13.710 18318
2943 1 7 . 1 1 92 92 CYS H H 89 7.390 7.390 8.600 -1.210 18318
2944 1 7 . 1 1 93 93 ALA N N 90 122.900 122.900 123.269 -0.369 18318
2945 1 7 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.096 -0.186 18318
2946 1 7 . 1 1 93 93 ALA C C 90 179.200 179.200 179.836 -0.636 18318
2947 1 7 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.943 -0.243 18318
2948 1 7 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.412 -0.612 18318
2949 1 7 . 1 1 93 93 ALA H H 90 8.410 8.410 7.736 0.674 18318
2950 1 7 . 1 1 94 94 GLU N N 91 115.800 115.800 118.018 -2.218 18318
2951 1 7 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.035 0.115 18318
2952 1 7 . 1 1 94 94 GLU C C 91 177.400 177.400 178.820 -1.420 18318
2953 1 7 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.438 -0.538 18318
2954 1 7 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.643 -0.243 18318
2955 1 7 . 1 1 94 94 GLU H H 91 7.880 7.880 7.913 -0.033 18318
2956 1 7 . 1 1 95 95 GLN N N 92 115.500 115.500 117.451 -1.951 18318
2957 1 7 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.113 0.177 18318
2958 1 7 . 1 1 95 95 GLN C C 92 176.600 176.600 175.899 0.701 18318
2959 1 7 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.057 -1.757 18318
2960 1 7 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.328 -0.428 18318
2961 1 7 . 1 1 95 95 GLN H H 92 7.450 7.450 7.601 -0.151 18318
2962 1 8 . 1 1 15 15 CYS N N 12 117.500 117.500 124.881 -7.381 18318
2963 1 8 . 1 1 15 15 CYS C C 12 175.500 175.500 174.103 1.397 18318
2964 1 8 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.714 -5.014 18318
2965 1 8 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.058 6.641 18318
2966 1 8 . 1 1 15 15 CYS H H 12 8.280 8.280 8.427 -0.147 18318
2967 1 8 . 1 1 16 16 GLY N N 13 108.700 108.700 112.945 -4.245 18318
2968 1 8 . 1 1 16 16 GLY C C 13 176.600 176.600 175.429 1.171 18318
2969 1 8 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.615 1.284 18318
2970 1 8 . 1 1 16 16 GLY H H 13 8.080 8.080 8.924 -0.844 18318
2971 1 8 . 1 1 17 17 ARG N N 14 123.300 123.300 121.634 1.666 18318
2972 1 8 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.041 -0.081 18318
2973 1 8 . 1 1 17 17 ARG C C 14 179.300 179.300 177.543 1.757 18318
2974 1 8 . 1 1 17 17 ARG CA C 14 59.200 59.200 59.008 0.192 18318
2975 1 8 . 1 1 17 17 ARG CB C 14 29.100 29.100 30.138 -1.038 18318
2976 1 8 . 1 1 17 17 ARG H H 14 8.630 8.630 8.472 0.158 18318
2977 1 8 . 1 1 18 18 GLU N N 15 121.900 121.900 119.788 2.112 18318
2978 1 8 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.116 0.054 18318
2979 1 8 . 1 1 18 18 GLU C C 15 177.900 177.900 178.476 -0.576 18318
2980 1 8 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.487 1.613 18318
2981 1 8 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.472 -1.272 18318
2982 1 8 . 1 1 18 18 GLU H H 15 9.670 9.670 7.807 1.863 18318
2983 1 8 . 1 1 19 19 LEU N N 16 119.400 119.400 119.600 -0.200 18318
2984 1 8 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.882 3.018 18318
2985 1 8 . 1 1 19 19 LEU H H 16 8.090 8.090 7.478 0.612 18318
2986 1 8 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.967 -0.287 18318
2987 1 8 . 1 1 20 20 GLU C C 17 177.200 177.200 179.032 -1.832 18318
2988 1 8 . 1 1 20 20 GLU CA C 17 59.300 59.300 60.172 -0.872 18318
2989 1 8 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.829 -0.829 18318
2990 1 8 . 1 1 21 21 GLN N N 18 118.500 118.500 118.002 0.498 18318
2991 1 8 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.178 -0.138 18318
2992 1 8 . 1 1 21 21 GLN C C 18 177.200 177.200 178.429 -1.229 18318
2993 1 8 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.516 0.484 18318
2994 1 8 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.311 0.389 18318
2995 1 8 . 1 1 21 21 GLN H H 18 8.560 8.560 7.946 0.614 18318
2996 1 8 . 1 1 22 22 TYR N N 19 120.700 120.700 122.481 -1.781 18318
2997 1 8 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.378 -0.098 18318
2998 1 8 . 1 1 22 22 TYR C C 19 176.600 176.600 177.742 -1.142 18318
2999 1 8 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.535 1.565 18318
3000 1 8 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.434 0.466 18318
3001 1 8 . 1 1 22 22 TYR H H 19 8.120 8.120 8.957 -0.837 18318
3002 1 8 . 1 1 23 23 GLY N N 20 105.600 105.600 106.145 -0.545 18318
3003 1 8 . 1 1 23 23 GLY C C 20 176.700 176.700 176.031 0.669 18318
3004 1 8 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.438 0.662 18318
3005 1 8 . 1 1 23 23 GLY H H 20 8.390 8.390 7.813 0.577 18318
3006 1 8 . 1 1 24 24 GLN N N 21 120.300 120.300 120.757 -0.457 18318
3007 1 8 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.327 -0.277 18318
3008 1 8 . 1 1 24 24 GLN C C 21 178.000 178.000 178.256 -0.256 18318
3009 1 8 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.541 0.059 18318
3010 1 8 . 1 1 24 24 GLN CB C 21 27.600 27.600 29.142 -1.542 18318
3011 1 8 . 1 1 24 24 GLN H H 21 8.130 8.130 7.627 0.503 18318
3012 1 8 . 1 1 25 25 CYS N N 22 121.500 121.500 119.078 2.422 18318
3013 1 8 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.404 -0.124 18318
3014 1 8 . 1 1 25 25 CYS C C 22 175.400 175.400 177.159 -1.759 18318
3015 1 8 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.448 -1.848 18318
3016 1 8 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.177 12.723 18318
3017 1 8 . 1 1 25 25 CYS H H 22 7.610 7.610 8.340 -0.730 18318
3018 1 8 . 1 1 26 26 VAL N N 23 119.900 119.900 120.070 -0.170 18318
3019 1 8 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.846 -0.056 18318
3020 1 8 . 1 1 26 26 VAL C C 23 177.100 177.100 177.364 -0.264 18318
3021 1 8 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.698 0.202 18318
3022 1 8 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.462 -2.162 18318
3023 1 8 . 1 1 26 26 VAL H H 23 8.040 8.040 7.430 0.610 18318
3024 1 8 . 1 1 27 27 ALA N N 24 117.400 117.400 120.631 -3.231 18318
3025 1 8 . 1 1 27 27 ALA HA H 24 4.100 4.100 3.994 0.106 18318
3026 1 8 . 1 1 27 27 ALA C C 24 178.600 178.600 178.931 -0.331 18318
3027 1 8 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.545 -0.445 18318
3028 1 8 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.589 -0.689 18318
3029 1 8 . 1 1 27 27 ALA H H 24 7.430 7.430 7.466 -0.036 18318
3030 1 8 . 1 1 28 28 ALA N N 25 116.100 116.100 120.255 -4.155 18318
3031 1 8 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.115 0.215 18318
3032 1 8 . 1 1 28 28 ALA C C 25 178.100 178.100 178.170 -0.070 18318
3033 1 8 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.931 -1.331 18318
3034 1 8 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.425 -0.325 18318
3035 1 8 . 1 1 28 28 ALA H H 25 7.120 7.120 7.602 -0.482 18318
3036 1 8 . 1 1 29 29 LYS N N 26 119.200 119.200 113.576 5.624 18318
3037 1 8 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.371 5.329 18318
3038 1 8 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.749 -2.649 18318
3039 1 8 . 1 1 29 29 LYS H H 26 7.560 7.560 7.587 -0.027 18318
3040 1 8 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.268 -0.058 18318
3041 1 8 . 1 1 30 30 PRO C C 27 177.000 177.000 178.347 -1.347 18318
3042 1 8 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.517 0.383 18318
3043 1 8 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.967 -0.367 18318
3044 1 8 . 1 1 31 31 GLU N N 28 114.600 114.600 118.059 -3.459 18318
3045 1 8 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.268 0.182 18318
3046 1 8 . 1 1 31 31 GLU C C 28 176.100 176.100 178.139 -2.039 18318
3047 1 8 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.310 -1.110 18318
3048 1 8 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.213 1.387 18318
3049 1 8 . 1 1 31 31 GLU H H 28 8.770 8.770 8.855 -0.085 18318
3050 1 8 . 1 1 32 32 SER N N 29 111.000 111.000 115.928 -4.928 18318
3051 1 8 . 1 1 32 32 SER HA H 29 4.510 4.510 4.231 0.279 18318
3052 1 8 . 1 1 32 32 SER C C 29 176.600 176.600 175.931 0.669 18318
3053 1 8 . 1 1 32 32 SER CA C 29 58.500 58.500 60.190 -1.690 18318
3054 1 8 . 1 1 32 32 SER CB C 29 63.800 63.800 62.686 1.114 18318
3055 1 8 . 1 1 32 32 SER H H 29 7.750 7.750 8.244 -0.494 18318
3056 1 8 . 1 1 33 33 TRP N N 30 125.000 125.000 124.500 0.500 18318
3057 1 8 . 1 1 33 33 TRP C C 30 177.200 177.200 177.795 -0.595 18318
3058 1 8 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.698 -0.698 18318
3059 1 8 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.893 0.607 18318
3060 1 8 . 1 1 33 33 TRP H H 30 7.820 7.820 7.616 0.204 18318
3061 1 8 . 1 1 34 34 GLN N N 31 123.600 123.600 114.226 9.374 18318
3062 1 8 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.171 0.279 18318
3063 1 8 . 1 1 34 34 GLN C C 31 176.800 176.800 176.874 -0.074 18318
3064 1 8 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.135 2.765 18318
3065 1 8 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.395 -1.895 18318
3066 1 8 . 1 1 34 34 GLN H H 31 8.240 8.240 7.466 0.774 18318
3067 1 8 . 1 1 35 35 ARG N N 32 115.900 115.900 119.251 -3.351 18318
3068 1 8 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.955 0.325 18318
3069 1 8 . 1 1 35 35 ARG C C 32 178.900 178.900 178.171 0.729 18318
3070 1 8 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.608 -1.208 18318
3071 1 8 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.502 0.798 18318
3072 1 8 . 1 1 35 35 ARG H H 32 7.450 7.450 7.475 -0.025 18318
3073 1 8 . 1 1 36 36 ASP N N 33 117.700 117.700 118.569 -0.869 18318
3074 1 8 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.532 -0.392 18318
3075 1 8 . 1 1 36 36 ASP C C 33 177.600 177.600 176.908 0.692 18318
3076 1 8 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.798 0.402 18318
3077 1 8 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.474 -0.574 18318
3078 1 8 . 1 1 36 36 ASP H H 33 8.760 8.760 8.351 0.409 18318
3079 1 8 . 1 1 37 37 CYS N N 34 113.300 113.300 115.708 -2.408 18318
3080 1 8 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.762 0.638 18318
3081 1 8 . 1 1 37 37 CYS C C 34 175.800 175.800 174.316 1.484 18318
3082 1 8 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.885 -3.785 18318
3083 1 8 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.859 13.641 18318
3084 1 8 . 1 1 37 37 CYS H H 34 8.260 8.260 7.671 0.589 18318
3085 1 8 . 1 1 38 38 HIS N N 35 124.200 124.200 123.915 0.285 18318
3086 1 8 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.240 0.110 18318
3087 1 8 . 1 1 38 38 HIS C C 35 177.400 177.400 176.094 1.306 18318
3088 1 8 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.450 2.550 18318
3089 1 8 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.747 -0.147 18318
3090 1 8 . 1 1 38 38 HIS H H 35 7.520 7.520 8.212 -0.692 18318
3091 1 8 . 1 1 39 39 TYR N N 36 117.100 117.100 117.944 -0.844 18318
3092 1 8 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.184 0.116 18318
3093 1 8 . 1 1 39 39 TYR C C 36 177.700 177.700 178.049 -0.349 18318
3094 1 8 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.636 -0.036 18318
3095 1 8 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.117 -0.917 18318
3096 1 8 . 1 1 39 39 TYR H H 36 8.930 8.930 8.002 0.928 18318
3097 1 8 . 1 1 40 40 LEU N N 37 122.000 122.000 119.439 2.561 18318
3098 1 8 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.222 -0.052 18318
3099 1 8 . 1 1 40 40 LEU C C 37 179.400 179.400 179.186 0.214 18318
3100 1 8 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.550 -1.050 18318
3101 1 8 . 1 1 40 40 LEU CB C 37 42.400 42.400 40.878 1.522 18318
3102 1 8 . 1 1 40 40 LEU H H 37 6.940 6.940 8.276 -1.336 18318
3103 1 8 . 1 1 41 41 LYS N N 38 125.300 125.300 118.862 6.438 18318
3104 1 8 . 1 1 41 41 LYS C C 38 179.600 179.600 178.626 0.974 18318
3105 1 8 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.318 0.282 18318
3106 1 8 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.960 -0.960 18318
3107 1 8 . 1 1 41 41 LYS H H 38 7.880 7.880 7.757 0.123 18318
3108 1 8 . 1 1 42 42 MET N N 39 117.600 117.600 117.558 0.042 18318
3109 1 8 . 1 1 42 42 MET HA H 39 4.120 4.120 4.226 -0.106 18318
3110 1 8 . 1 1 42 42 MET C C 39 178.900 178.900 177.835 1.065 18318
3111 1 8 . 1 1 42 42 MET CA C 39 57.200 57.200 57.894 -0.694 18318
3112 1 8 . 1 1 42 42 MET CB C 39 30.000 30.000 33.004 -3.004 18318
3113 1 8 . 1 1 42 42 MET H H 39 8.090 8.090 7.416 0.674 18318
3114 1 8 . 1 1 43 43 SER N N 40 115.900 115.900 116.624 -0.724 18318
3115 1 8 . 1 1 43 43 SER HA H 40 4.290 4.290 4.267 0.023 18318
3116 1 8 . 1 1 43 43 SER C C 40 177.400 177.400 176.837 0.563 18318
3117 1 8 . 1 1 43 43 SER CA C 40 61.700 61.700 61.248 0.452 18318
3118 1 8 . 1 1 43 43 SER CB C 40 62.500 62.500 63.442 -0.942 18318
3119 1 8 . 1 1 43 43 SER H H 40 7.600 7.600 7.754 -0.154 18318
3120 1 8 . 1 1 44 44 ILE N N 41 121.900 121.900 117.799 4.101 18318
3121 1 8 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.089 -0.549 18318
3122 1 8 . 1 1 44 44 ILE C C 41 177.500 177.500 176.993 0.507 18318
3123 1 8 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.742 2.358 18318
3124 1 8 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.455 0.445 18318
3125 1 8 . 1 1 44 44 ILE H H 41 7.540 7.540 8.237 -0.697 18318
3126 1 8 . 1 1 45 45 ALA N N 42 122.600 122.600 123.405 -0.805 18318
3127 1 8 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.061 0.119 18318
3128 1 8 . 1 1 45 45 ALA C C 42 180.200 180.200 179.722 0.478 18318
3129 1 8 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.594 0.206 18318
3130 1 8 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.569 -1.269 18318
3131 1 8 . 1 1 45 45 ALA H H 42 7.420 7.420 7.517 -0.097 18318
3132 1 8 . 1 1 46 46 GLN N N 43 118.400 118.400 116.367 2.033 18318
3133 1 8 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.004 -0.034 18318
3134 1 8 . 1 1 46 46 GLN C C 43 178.500 178.500 176.985 1.515 18318
3135 1 8 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.397 0.303 18318
3136 1 8 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.797 -0.997 18318
3137 1 8 . 1 1 46 46 GLN H H 43 8.290 8.290 7.920 0.370 18318
3138 1 8 . 1 1 47 47 CYS N N 44 119.500 119.500 117.939 1.561 18318
3139 1 8 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.268 -0.178 18318
3140 1 8 . 1 1 47 47 CYS C C 44 176.500 176.500 177.243 -0.743 18318
3141 1 8 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.508 -1.208 18318
3142 1 8 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.526 12.374 18318
3143 1 8 . 1 1 47 47 CYS H H 44 7.590 7.590 7.742 -0.152 18318
3144 1 8 . 1 1 48 48 THR N N 45 113.000 113.000 113.615 -0.615 18318
3145 1 8 . 1 1 48 48 THR C C 45 175.900 175.900 176.222 -0.322 18318
3146 1 8 . 1 1 48 48 THR CA C 45 65.400 65.400 64.816 0.584 18318
3147 1 8 . 1 1 48 48 THR CB C 45 68.800 68.800 68.540 0.260 18318
3148 1 8 . 1 1 48 48 THR H H 45 8.810 8.810 7.780 1.030 18318
3149 1 8 . 1 1 49 49 SER N N 46 113.200 113.200 115.781 -2.581 18318
3150 1 8 . 1 1 49 49 SER HA H 46 4.380 4.380 4.600 -0.220 18318
3151 1 8 . 1 1 49 49 SER C C 46 175.600 175.600 174.885 0.715 18318
3152 1 8 . 1 1 49 49 SER CA C 46 60.000 60.000 58.472 1.528 18318
3153 1 8 . 1 1 49 49 SER CB C 46 63.900 63.900 63.005 0.895 18318
3154 1 8 . 1 1 49 49 SER H H 46 7.890 7.890 7.698 0.192 18318
3155 1 8 . 1 1 50 50 SER N N 47 114.100 114.100 116.027 -1.927 18318
3156 1 8 . 1 1 50 50 SER HA H 47 4.390 4.390 4.603 -0.213 18318
3157 1 8 . 1 1 50 50 SER CA C 47 59.100 59.100 59.348 -0.248 18318
3158 1 8 . 1 1 50 50 SER CB C 47 64.800 64.800 64.170 0.630 18318
3159 1 8 . 1 1 50 50 SER H H 47 7.770 7.770 7.539 0.231 18318
3160 1 8 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.077 0.513 18318
3161 1 8 . 1 1 55 55 ARG C C 52 178.500 178.500 178.299 0.201 18318
3162 1 8 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.845 1.155 18318
3163 1 8 . 1 1 56 56 GLN N N 53 117.700 117.700 120.382 -2.682 18318
3164 1 8 . 1 1 56 56 GLN C C 53 175.000 175.000 178.347 -3.347 18318
3165 1 8 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.213 0.987 18318
3166 1 8 . 1 1 56 56 GLN H H 53 8.110 8.110 8.585 -0.475 18318
3167 1 8 . 1 1 57 57 ILE N N 54 121.200 121.200 116.797 4.403 18318
3168 1 8 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.730 -0.410 18318
3169 1 8 . 1 1 57 57 ILE C C 54 178.700 178.700 177.577 1.123 18318
3170 1 8 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.413 2.587 18318
3171 1 8 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.301 0.399 18318
3172 1 8 . 1 1 57 57 ILE H H 54 7.820 7.820 8.043 -0.223 18318
3173 1 8 . 1 1 58 58 ARG N N 55 118.900 118.900 120.607 -1.707 18318
3174 1 8 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.894 0.416 18318
3175 1 8 . 1 1 58 58 ARG C C 55 178.600 178.600 177.297 1.303 18318
3176 1 8 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.118 0.782 18318
3177 1 8 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.106 1.394 18318
3178 1 8 . 1 1 58 58 ARG H H 55 8.250 8.250 7.370 0.880 18318
3179 1 8 . 1 1 59 59 GLN N N 56 115.800 115.800 116.406 -0.606 18318
3180 1 8 . 1 1 59 59 GLN C C 56 178.100 178.100 177.557 0.543 18318
3181 1 8 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.898 0.102 18318
3182 1 8 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.933 -0.133 18318
3183 1 8 . 1 1 59 59 GLN H H 56 7.920 7.920 7.889 0.031 18318
3184 1 8 . 1 1 60 60 ALA N N 57 121.600 121.600 121.252 0.348 18318
3185 1 8 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.137 0.043 18318
3186 1 8 . 1 1 60 60 ALA C C 57 179.600 179.600 177.760 1.840 18318
3187 1 8 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.329 1.171 18318
3188 1 8 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.290 -0.390 18318
3189 1 8 . 1 1 60 60 ALA H H 57 8.490 8.490 7.571 0.919 18318
3190 1 8 . 1 1 61 61 CYS N N 58 114.000 114.000 117.627 -3.627 18318
3191 1 8 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.336 0.794 18318
3192 1 8 . 1 1 61 61 CYS C C 58 175.000 175.000 174.573 0.427 18318
3193 1 8 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.311 -7.611 18318
3194 1 8 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.675 14.125 18318
3195 1 8 . 1 1 61 61 CYS H H 58 8.370 8.370 7.506 0.864 18318
3196 1 8 . 1 1 62 62 ALA N N 59 124.900 124.900 128.686 -3.786 18318
3197 1 8 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.326 -0.056 18318
3198 1 8 . 1 1 62 62 ALA C C 59 179.200 179.200 178.650 0.550 18318
3199 1 8 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.413 3.087 18318
3200 1 8 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.971 -1.171 18318
3201 1 8 . 1 1 62 62 ALA H H 59 7.200 7.200 8.393 -1.193 18318
3202 1 8 . 1 1 63 63 GLN N N 60 115.800 115.800 119.505 -3.705 18318
3203 1 8 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.162 0.318 18318
3204 1 8 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.227 -0.027 18318
3205 1 8 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.233 -2.533 18318
3206 1 8 . 1 1 63 63 GLN H H 60 9.040 9.040 8.745 0.295 18318
3207 1 8 . 1 1 64 64 PRO C C 61 179.700 179.700 178.121 1.579 18318
3208 1 8 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.147 0.453 18318
3209 1 8 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.413 -0.614 18318
3210 1 8 . 1 1 65 65 PHE N N 62 120.500 120.500 119.644 0.856 18318
3211 1 8 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.404 -0.124 18318
3212 1 8 . 1 1 65 65 PHE C C 62 176.400 176.400 177.041 -0.641 18318
3213 1 8 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.699 1.701 18318
3214 1 8 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.618 -1.018 18318
3215 1 8 . 1 1 65 65 PHE H H 62 8.500 8.500 7.333 1.167 18318
3216 1 8 . 1 1 66 66 GLU N N 63 120.200 120.200 119.949 0.251 18318
3217 1 8 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.961 0.069 18318
3218 1 8 . 1 1 66 66 GLU C C 63 179.300 179.300 178.596 0.704 18318
3219 1 8 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.100 0.100 18318
3220 1 8 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.906 -1.406 18318
3221 1 8 . 1 1 66 66 GLU H H 63 8.900 8.900 8.041 0.859 18318
3222 1 8 . 1 1 67 67 ALA N N 64 120.600 120.600 122.604 -2.004 18318
3223 1 8 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.059 -0.189 18318
3224 1 8 . 1 1 67 67 ALA C C 64 180.500 180.500 178.976 1.524 18318
3225 1 8 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.060 -0.360 18318
3226 1 8 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.569 -0.469 18318
3227 1 8 . 1 1 67 67 ALA H H 64 8.150 8.150 7.585 0.565 18318
3228 1 8 . 1 1 68 68 PHE N N 65 120.000 120.000 118.249 1.751 18318
3229 1 8 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.085 0.235 18318
3230 1 8 . 1 1 68 68 PHE C C 65 175.400 175.400 177.126 -1.726 18318
3231 1 8 . 1 1 68 68 PHE CA C 65 59.800 59.800 61.473 -1.673 18318
3232 1 8 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.056 -1.056 18318
3233 1 8 . 1 1 68 68 PHE H H 65 7.810 7.810 7.927 -0.117 18318
3234 1 8 . 1 1 69 69 GLU N N 66 119.400 119.400 117.665 1.735 18318
3235 1 8 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.393 0.777 18318
3236 1 8 . 1 1 69 69 GLU C C 66 178.800 178.800 178.129 0.671 18318
3237 1 8 . 1 1 69 69 GLU CA C 66 60.200 60.200 57.914 2.286 18318
3238 1 8 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.163 -0.063 18318
3239 1 8 . 1 1 69 69 GLU H H 66 8.330 8.330 7.848 0.482 18318
3240 1 8 . 1 1 70 70 GLU N N 67 118.600 118.600 120.219 -1.619 18318
3241 1 8 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.116 -0.146 18318
3242 1 8 . 1 1 70 70 GLU C C 67 177.700 177.700 178.374 -0.674 18318
3243 1 8 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.698 0.102 18318
3244 1 8 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.761 -1.061 18318
3245 1 8 . 1 1 70 70 GLU H H 67 8.240 8.240 7.272 0.968 18318
3246 1 8 . 1 1 71 71 CYS N N 68 119.100 119.100 118.880 0.220 18318
3247 1 8 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.140 -0.060 18318
3248 1 8 . 1 1 71 71 CYS C C 68 177.900 177.900 176.977 0.923 18318
3249 1 8 . 1 1 71 71 CYS CA C 68 60.600 60.600 64.225 -3.625 18318
3250 1 8 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.493 12.507 18318
3251 1 8 . 1 1 71 71 CYS H H 68 7.580 7.580 8.611 -1.031 18318
3252 1 8 . 1 1 72 72 LEU N N 69 122.000 122.000 118.474 3.526 18318
3253 1 8 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.236 -0.536 18318
3254 1 8 . 1 1 72 72 LEU C C 69 179.300 179.300 178.705 0.595 18318
3255 1 8 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.759 0.841 18318
3256 1 8 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.313 -0.313 18318
3257 1 8 . 1 1 72 72 LEU H H 69 8.090 8.090 7.699 0.391 18318
3258 1 8 . 1 1 73 73 ARG N N 70 117.400 117.400 118.516 -1.116 18318
3259 1 8 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.906 0.104 18318
3260 1 8 . 1 1 73 73 ARG C C 70 178.500 178.500 178.575 -0.075 18318
3261 1 8 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.867 -0.167 18318
3262 1 8 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.585 0.515 18318
3263 1 8 . 1 1 73 73 ARG H H 70 7.600 7.600 7.419 0.181 18318
3264 1 8 . 1 1 74 74 GLN N N 71 115.800 115.800 115.795 0.005 18318
3265 1 8 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.376 -0.086 18318
3266 1 8 . 1 1 74 74 GLN C C 71 176.200 176.200 177.116 -0.916 18318
3267 1 8 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.261 -0.861 18318
3268 1 8 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.205 -1.005 18318
3269 1 8 . 1 1 74 74 GLN H H 71 7.580 7.580 7.553 0.027 18318
3270 1 8 . 1 1 75 75 ASN N N 72 118.600 118.600 118.748 -0.148 18318
3271 1 8 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.983 0.007 18318
3272 1 8 . 1 1 75 75 ASN C C 72 174.800 174.800 175.647 -0.847 18318
3273 1 8 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.642 0.358 18318
3274 1 8 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.521 1.279 18318
3275 1 8 . 1 1 75 75 ASN H H 72 7.750 7.750 8.072 -0.322 18318
3276 1 8 . 1 1 76 76 GLU N N 73 120.200 120.200 121.582 -1.382 18318
3277 1 8 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.900 0.060 18318
3278 1 8 . 1 1 76 76 GLU C C 73 176.800 176.800 176.544 0.256 18318
3279 1 8 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.965 0.235 18318
3280 1 8 . 1 1 76 76 GLU CB C 73 29.100 29.100 28.923 0.177 18318
3281 1 8 . 1 1 76 76 GLU H H 73 7.950 7.950 8.020 -0.070 18318
3282 1 8 . 1 1 77 77 ALA N N 74 119.200 119.200 121.068 -1.868 18318
3283 1 8 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.416 -0.056 18318
3284 1 8 . 1 1 77 77 ALA C C 74 175.400 175.400 176.959 -1.559 18318
3285 1 8 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.628 0.472 18318
3286 1 8 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.550 -0.350 18318
3287 1 8 . 1 1 77 77 ALA H H 74 8.320 8.320 7.915 0.405 18318
3288 1 8 . 1 1 78 78 ALA N N 75 124.400 124.400 122.664 1.736 18318
3289 1 8 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.696 -0.316 18318
3290 1 8 . 1 1 78 78 ALA C C 75 177.200 177.200 177.903 -0.703 18318
3291 1 8 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.968 -0.568 18318
3292 1 8 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.711 -1.711 18318
3293 1 8 . 1 1 78 78 ALA H H 75 7.900 7.900 7.674 0.226 18318
3294 1 8 . 1 1 79 79 VAL N N 76 118.400 118.400 119.617 -1.217 18318
3295 1 8 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.312 -0.522 18318
3296 1 8 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.197 1.903 18318
3297 1 8 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.713 -0.413 18318
3298 1 8 . 1 1 79 79 VAL H H 76 8.100 8.100 8.058 0.042 18318
3299 1 8 . 1 1 80 80 GLY C C 77 175.900 175.900 175.382 0.518 18318
3300 1 8 . 1 1 80 80 GLY CA C 77 46.400 46.400 47.001 -0.601 18318
3301 1 8 . 1 1 81 81 ASN N N 78 119.300 119.300 117.718 1.582 18318
3302 1 8 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.824 -0.224 18318
3303 1 8 . 1 1 81 81 ASN C C 78 176.700 176.700 174.244 2.456 18318
3304 1 8 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.078 0.422 18318
3305 1 8 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.764 -2.464 18318
3306 1 8 . 1 1 81 81 ASN H H 78 8.200 8.200 7.959 0.241 18318
3307 1 8 . 1 1 82 82 CYS N N 79 117.200 117.200 113.600 3.600 18318
3308 1 8 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.691 0.709 18318
3309 1 8 . 1 1 82 82 CYS C C 79 175.800 175.800 172.536 3.264 18318
3310 1 8 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.898 -3.397 18318
3311 1 8 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.048 9.252 18318
3312 1 8 . 1 1 82 82 CYS H H 79 8.330 8.330 7.662 0.668 18318
3313 1 8 . 1 1 83 83 ALA N N 80 125.000 125.000 124.544 0.456 18318
3314 1 8 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.831 -0.681 18318
3315 1 8 . 1 1 83 83 ALA C C 80 179.900 179.900 177.753 2.147 18318
3316 1 8 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.538 4.662 18318
3317 1 8 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.847 -1.647 18318
3318 1 8 . 1 1 83 83 ALA H H 80 7.700 7.700 8.535 -0.835 18318
3319 1 8 . 1 1 84 84 GLU N N 81 118.900 118.900 126.718 -7.818 18318
3320 1 8 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.252 -0.302 18318
3321 1 8 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.857 0.143 18318
3322 1 8 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.903 -0.003 18318
3323 1 8 . 1 1 84 84 GLU H H 81 8.920 8.920 9.212 -0.292 18318
3324 1 8 . 1 1 85 85 HIS C C 82 178.500 178.500 177.224 1.276 18318
3325 1 8 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.408 -3.308 18318
3326 1 8 . 1 1 86 86 MET N N 83 118.800 118.800 118.367 0.433 18318
3327 1 8 . 1 1 86 86 MET C C 83 177.200 177.200 178.432 -1.232 18318
3328 1 8 . 1 1 86 86 MET CA C 83 58.900 58.900 58.573 0.327 18318
3329 1 8 . 1 1 86 86 MET CB C 83 31.300 31.300 32.382 -1.081 18318
3330 1 8 . 1 1 86 86 MET H H 83 7.460 7.460 8.556 -1.096 18318
3331 1 8 . 1 1 87 87 ARG N N 84 119.500 119.500 119.893 -0.393 18318
3332 1 8 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.013 -0.103 18318
3333 1 8 . 1 1 87 87 ARG C C 84 178.600 178.600 178.389 0.211 18318
3334 1 8 . 1 1 87 87 ARG CA C 84 59.900 59.900 60.160 -0.260 18318
3335 1 8 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.944 -0.444 18318
3336 1 8 . 1 1 87 87 ARG H H 84 8.220 8.220 7.835 0.385 18318
3337 1 8 . 1 1 88 88 ARG N N 85 117.900 117.900 118.675 -0.775 18318
3338 1 8 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.061 -0.141 18318
3339 1 8 . 1 1 88 88 ARG C C 85 179.700 179.700 178.628 1.072 18318
3340 1 8 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.410 0.090 18318
3341 1 8 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.802 0.198 18318
3342 1 8 . 1 1 88 88 ARG H H 85 8.100 8.100 7.498 0.602 18318
3343 1 8 . 1 1 89 89 PHE N N 86 119.700 119.700 119.317 0.383 18318
3344 1 8 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.142 0.208 18318
3345 1 8 . 1 1 89 89 PHE C C 86 175.600 175.600 177.995 -2.395 18318
3346 1 8 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.936 -0.836 18318
3347 1 8 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.894 -1.094 18318
3348 1 8 . 1 1 89 89 PHE H H 86 7.930 7.930 7.649 0.281 18318
3349 1 8 . 1 1 90 90 LEU N N 87 120.400 120.400 120.304 0.096 18318
3350 1 8 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.844 -0.134 18318
3351 1 8 . 1 1 90 90 LEU C C 87 179.200 179.200 178.672 0.528 18318
3352 1 8 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.565 -0.865 18318
3353 1 8 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.913 -1.613 18318
3354 1 8 . 1 1 90 90 LEU H H 87 8.640 8.640 8.461 0.179 18318
3355 1 8 . 1 1 91 91 GLN N N 88 118.200 118.200 117.862 0.338 18318
3356 1 8 . 1 1 91 91 GLN HA H 88 4.040 4.040 3.921 0.119 18318
3357 1 8 . 1 1 91 91 GLN C C 88 178.000 178.000 178.706 -0.706 18318
3358 1 8 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.551 -0.851 18318
3359 1 8 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.665 -0.665 18318
3360 1 8 . 1 1 91 91 GLN H H 88 8.380 8.380 7.948 0.432 18318
3361 1 8 . 1 1 92 92 CYS N N 89 119.000 119.000 117.131 1.869 18318
3362 1 8 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.190 -0.140 18318
3363 1 8 . 1 1 92 92 CYS C C 89 176.600 176.600 176.696 -0.096 18318
3364 1 8 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.531 -2.431 18318
3365 1 8 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.741 13.759 18318
3366 1 8 . 1 1 92 92 CYS H H 89 7.390 7.390 8.473 -1.083 18318
3367 1 8 . 1 1 93 93 ALA N N 90 122.900 122.900 119.903 2.997 18318
3368 1 8 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.163 -0.253 18318
3369 1 8 . 1 1 93 93 ALA C C 90 179.200 179.200 179.202 -0.002 18318
3370 1 8 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.582 0.118 18318
3371 1 8 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.346 -0.546 18318
3372 1 8 . 1 1 93 93 ALA H H 90 8.410 8.410 7.909 0.501 18318
3373 1 8 . 1 1 94 94 GLU N N 91 115.800 115.800 117.971 -2.171 18318
3374 1 8 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.309 -0.159 18318
3375 1 8 . 1 1 94 94 GLU C C 91 177.400 177.400 177.884 -0.484 18318
3376 1 8 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.884 0.016 18318
3377 1 8 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.338 -0.938 18318
3378 1 8 . 1 1 94 94 GLU H H 91 7.880 7.880 7.819 0.061 18318
3379 1 8 . 1 1 95 95 GLN N N 92 115.500 115.500 118.353 -2.853 18318
3380 1 8 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.496 -0.206 18318
3381 1 8 . 1 1 95 95 GLN C C 92 176.600 176.600 175.499 1.101 18318
3382 1 8 . 1 1 95 95 GLN CA C 92 56.300 56.300 54.598 1.702 18318
3383 1 8 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.472 -0.572 18318
3384 1 8 . 1 1 95 95 GLN H H 92 7.450 7.450 7.743 -0.293 18318
3385 1 9 . 1 1 15 15 CYS N N 12 117.500 117.500 122.191 -4.691 18318
3386 1 9 . 1 1 15 15 CYS C C 12 175.500 175.500 175.711 -0.211 18318
3387 1 9 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.701 -5.001 18318
3388 1 9 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.522 7.178 18318
3389 1 9 . 1 1 15 15 CYS H H 12 8.280 8.280 8.971 -0.691 18318
3390 1 9 . 1 1 16 16 GLY N N 13 108.700 108.700 110.950 -2.250 18318
3391 1 9 . 1 1 16 16 GLY C C 13 176.600 176.600 174.957 1.643 18318
3392 1 9 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.197 1.704 18318
3393 1 9 . 1 1 16 16 GLY H H 13 8.080 8.080 8.953 -0.873 18318
3394 1 9 . 1 1 17 17 ARG N N 14 123.300 123.300 118.356 4.944 18318
3395 1 9 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.288 -0.328 18318
3396 1 9 . 1 1 17 17 ARG C C 14 179.300 179.300 177.110 2.190 18318
3397 1 9 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.186 2.014 18318
3398 1 9 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.283 -0.183 18318
3399 1 9 . 1 1 17 17 ARG H H 14 8.630 8.630 8.210 0.420 18318
3400 1 9 . 1 1 18 18 GLU N N 15 121.900 121.900 121.388 0.512 18318
3401 1 9 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.172 -0.002 18318
3402 1 9 . 1 1 18 18 GLU C C 15 177.900 177.900 177.259 0.641 18318
3403 1 9 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.674 2.426 18318
3404 1 9 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.819 -1.619 18318
3405 1 9 . 1 1 18 18 GLU H H 15 9.670 9.670 7.564 2.106 18318
3406 1 9 . 1 1 19 19 LEU N N 16 119.400 119.400 120.690 -1.290 18318
3407 1 9 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.772 2.128 18318
3408 1 9 . 1 1 19 19 LEU H H 16 8.090 8.090 7.794 0.296 18318
3409 1 9 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.952 -0.272 18318
3410 1 9 . 1 1 20 20 GLU C C 17 177.200 177.200 178.893 -1.693 18318
3411 1 9 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.807 -0.507 18318
3412 1 9 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.447 -0.447 18318
3413 1 9 . 1 1 21 21 GLN N N 18 118.500 118.500 118.582 -0.082 18318
3414 1 9 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.152 -0.112 18318
3415 1 9 . 1 1 21 21 GLN C C 18 177.200 177.200 178.845 -1.645 18318
3416 1 9 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.814 0.186 18318
3417 1 9 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.092 -0.392 18318
3418 1 9 . 1 1 21 21 GLN H H 18 8.560 8.560 7.623 0.937 18318
3419 1 9 . 1 1 22 22 TYR N N 19 120.700 120.700 120.248 0.452 18318
3420 1 9 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.402 -0.122 18318
3421 1 9 . 1 1 22 22 TYR C C 19 176.600 176.600 178.798 -2.198 18318
3422 1 9 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.032 1.068 18318
3423 1 9 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.752 1.148 18318
3424 1 9 . 1 1 22 22 TYR H H 19 8.120 8.120 9.225 -1.105 18318
3425 1 9 . 1 1 23 23 GLY N N 20 105.600 105.600 106.478 -0.878 18318
3426 1 9 . 1 1 23 23 GLY C C 20 176.700 176.700 176.269 0.431 18318
3427 1 9 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.081 0.019 18318
3428 1 9 . 1 1 23 23 GLY H H 20 8.390 8.390 8.353 0.037 18318
3429 1 9 . 1 1 24 24 GLN N N 21 120.300 120.300 121.618 -1.318 18318
3430 1 9 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.129 -0.079 18318
3431 1 9 . 1 1 24 24 GLN C C 21 178.000 178.000 178.470 -0.470 18318
3432 1 9 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.150 -0.550 18318
3433 1 9 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.756 -1.156 18318
3434 1 9 . 1 1 24 24 GLN H H 21 8.130 8.130 7.733 0.397 18318
3435 1 9 . 1 1 25 25 CYS N N 22 121.500 121.500 119.245 2.255 18318
3436 1 9 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.273 0.007 18318
3437 1 9 . 1 1 25 25 CYS C C 22 175.400 175.400 177.683 -2.283 18318
3438 1 9 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.187 -2.587 18318
3439 1 9 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.520 13.380 18318
3440 1 9 . 1 1 25 25 CYS H H 22 7.610 7.610 8.442 -0.832 18318
3441 1 9 . 1 1 26 26 VAL N N 23 119.900 119.900 120.637 -0.737 18318
3442 1 9 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.016 -0.226 18318
3443 1 9 . 1 1 26 26 VAL C C 23 177.100 177.100 177.880 -0.780 18318
3444 1 9 . 1 1 26 26 VAL CA C 23 65.900 65.900 66.184 -0.284 18318
3445 1 9 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.033 -2.733 18318
3446 1 9 . 1 1 26 26 VAL H H 23 8.040 8.040 8.289 -0.249 18318
3447 1 9 . 1 1 27 27 ALA N N 24 117.400 117.400 121.045 -3.645 18318
3448 1 9 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.056 0.044 18318
3449 1 9 . 1 1 27 27 ALA C C 24 178.600 178.600 179.069 -0.469 18318
3450 1 9 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.653 -0.553 18318
3451 1 9 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.843 -0.943 18318
3452 1 9 . 1 1 27 27 ALA H H 24 7.430 7.430 8.111 -0.681 18318
3453 1 9 . 1 1 28 28 ALA N N 25 116.100 116.100 120.957 -4.857 18318
3454 1 9 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.115 0.215 18318
3455 1 9 . 1 1 28 28 ALA C C 25 178.100 178.100 178.012 0.088 18318
3456 1 9 . 1 1 28 28 ALA CA C 25 52.600 52.600 54.153 -1.553 18318
3457 1 9 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.480 -0.380 18318
3458 1 9 . 1 1 28 28 ALA H H 25 7.120 7.120 7.679 -0.559 18318
3459 1 9 . 1 1 29 29 LYS N N 26 119.200 119.200 113.304 5.896 18318
3460 1 9 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.761 4.939 18318
3461 1 9 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.820 -2.720 18318
3462 1 9 . 1 1 29 29 LYS H H 26 7.560 7.560 7.600 -0.040 18318
3463 1 9 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.295 -0.085 18318
3464 1 9 . 1 1 30 30 PRO C C 27 177.000 177.000 178.185 -1.185 18318
3465 1 9 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.609 0.292 18318
3466 1 9 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318
3467 1 9 . 1 1 31 31 GLU N N 28 114.600 114.600 117.991 -3.391 18318
3468 1 9 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.563 -0.113 18318
3469 1 9 . 1 1 31 31 GLU C C 28 176.100 176.100 178.193 -2.093 18318
3470 1 9 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.591 -1.391 18318
3471 1 9 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.358 1.242 18318
3472 1 9 . 1 1 31 31 GLU H H 28 8.770 8.770 8.926 -0.156 18318
3473 1 9 . 1 1 32 32 SER N N 29 111.000 111.000 115.793 -4.793 18318
3474 1 9 . 1 1 32 32 SER HA H 29 4.510 4.510 4.287 0.223 18318
3475 1 9 . 1 1 32 32 SER C C 29 176.600 176.600 176.095 0.505 18318
3476 1 9 . 1 1 32 32 SER CA C 29 58.500 58.500 60.097 -1.597 18318
3477 1 9 . 1 1 32 32 SER CB C 29 63.800 63.800 62.703 1.097 18318
3478 1 9 . 1 1 32 32 SER H H 29 7.750 7.750 8.374 -0.624 18318
3479 1 9 . 1 1 33 33 TRP N N 30 125.000 125.000 121.627 3.373 18318
3480 1 9 . 1 1 33 33 TRP C C 30 177.200 177.200 177.072 0.128 18318
3481 1 9 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.301 0.699 18318
3482 1 9 . 1 1 33 33 TRP CB C 30 29.500 29.500 27.418 2.082 18318
3483 1 9 . 1 1 33 33 TRP H H 30 7.820 7.820 7.848 -0.028 18318
3484 1 9 . 1 1 34 34 GLN N N 31 123.600 123.600 119.343 4.257 18318
3485 1 9 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.450 1.000 18318
3486 1 9 . 1 1 34 34 GLN C C 31 176.800 176.800 177.904 -1.104 18318
3487 1 9 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.135 2.765 18318
3488 1 9 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.336 -1.836 18318
3489 1 9 . 1 1 34 34 GLN H H 31 8.240 8.240 6.660 1.580 18318
3490 1 9 . 1 1 35 35 ARG N N 32 115.900 115.900 119.299 -3.399 18318
3491 1 9 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.045 0.235 18318
3492 1 9 . 1 1 35 35 ARG C C 32 178.900 178.900 178.484 0.416 18318
3493 1 9 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.536 -1.136 18318
3494 1 9 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.044 1.256 18318
3495 1 9 . 1 1 35 35 ARG H H 32 7.450 7.450 7.280 0.170 18318
3496 1 9 . 1 1 36 36 ASP N N 33 117.700 117.700 119.054 -1.354 18318
3497 1 9 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.512 -0.372 18318
3498 1 9 . 1 1 36 36 ASP C C 33 177.600 177.600 176.972 0.628 18318
3499 1 9 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.868 0.332 18318
3500 1 9 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.274 -0.374 18318
3501 1 9 . 1 1 36 36 ASP H H 33 8.760 8.760 8.453 0.307 18318
3502 1 9 . 1 1 37 37 CYS N N 34 113.300 113.300 115.638 -2.338 18318
3503 1 9 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.749 0.651 18318
3504 1 9 . 1 1 37 37 CYS C C 34 175.800 175.800 174.284 1.516 18318
3505 1 9 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.580 -3.480 18318
3506 1 9 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.668 13.832 18318
3507 1 9 . 1 1 37 37 CYS H H 34 8.260 8.260 7.673 0.587 18318
3508 1 9 . 1 1 38 38 HIS N N 35 124.200 124.200 124.901 -0.701 18318
3509 1 9 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.250 0.100 18318
3510 1 9 . 1 1 38 38 HIS C C 35 177.400 177.400 176.093 1.307 18318
3511 1 9 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.441 1.559 18318
3512 1 9 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.830 -0.230 18318
3513 1 9 . 1 1 38 38 HIS H H 35 7.520 7.520 8.482 -0.962 18318
3514 1 9 . 1 1 39 39 TYR N N 36 117.100 117.100 118.890 -1.790 18318
3515 1 9 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.300 0.000 18318
3516 1 9 . 1 1 39 39 TYR C C 36 177.700 177.700 177.686 0.014 18318
3517 1 9 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.847 -1.247 18318
3518 1 9 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.084 -1.884 18318
3519 1 9 . 1 1 39 39 TYR H H 36 8.930 8.930 8.759 0.171 18318
3520 1 9 . 1 1 40 40 LEU N N 37 122.000 122.000 118.554 3.446 18318
3521 1 9 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.133 0.037 18318
3522 1 9 . 1 1 40 40 LEU C C 37 179.400 179.400 179.171 0.229 18318
3523 1 9 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.736 -1.236 18318
3524 1 9 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.188 1.212 18318
3525 1 9 . 1 1 40 40 LEU H H 37 6.940 6.940 8.212 -1.272 18318
3526 1 9 . 1 1 41 41 LYS N N 38 125.300 125.300 119.919 5.381 18318
3527 1 9 . 1 1 41 41 LYS C C 38 179.600 179.600 179.448 0.152 18318
3528 1 9 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.158 0.442 18318
3529 1 9 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.083 -1.083 18318
3530 1 9 . 1 1 41 41 LYS H H 38 7.880 7.880 7.595 0.285 18318
3531 1 9 . 1 1 42 42 MET N N 39 117.600 117.600 118.647 -1.047 18318
3532 1 9 . 1 1 42 42 MET HA H 39 4.120 4.120 4.216 -0.096 18318
3533 1 9 . 1 1 42 42 MET C C 39 178.900 178.900 178.293 0.607 18318
3534 1 9 . 1 1 42 42 MET CA C 39 57.200 57.200 58.432 -1.232 18318
3535 1 9 . 1 1 42 42 MET CB C 39 30.000 30.000 32.532 -2.531 18318
3536 1 9 . 1 1 42 42 MET H H 39 8.090 8.090 7.622 0.468 18318
3537 1 9 . 1 1 43 43 SER N N 40 115.900 115.900 116.460 -0.560 18318
3538 1 9 . 1 1 43 43 SER HA H 40 4.290 4.290 4.311 -0.021 18318
3539 1 9 . 1 1 43 43 SER C C 40 177.400 177.400 176.462 0.938 18318
3540 1 9 . 1 1 43 43 SER CA C 40 61.700 61.700 61.625 0.075 18318
3541 1 9 . 1 1 43 43 SER CB C 40 62.500 62.500 63.616 -1.116 18318
3542 1 9 . 1 1 43 43 SER H H 40 7.600 7.600 8.338 -0.738 18318
3543 1 9 . 1 1 44 44 ILE N N 41 121.900 121.900 118.538 3.362 18318
3544 1 9 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.911 -0.371 18318
3545 1 9 . 1 1 44 44 ILE C C 41 177.500 177.500 177.169 0.331 18318
3546 1 9 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.686 2.414 18318
3547 1 9 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.206 0.694 18318
3548 1 9 . 1 1 44 44 ILE H H 41 7.540 7.540 8.171 -0.631 18318
3549 1 9 . 1 1 45 45 ALA N N 42 122.600 122.600 122.524 0.076 18318
3550 1 9 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.067 0.113 18318
3551 1 9 . 1 1 45 45 ALA C C 42 180.200 180.200 179.875 0.325 18318
3552 1 9 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.981 -0.181 18318
3553 1 9 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.428 -1.128 18318
3554 1 9 . 1 1 45 45 ALA H H 42 7.420 7.420 7.832 -0.412 18318
3555 1 9 . 1 1 46 46 GLN N N 43 118.400 118.400 117.841 0.559 18318
3556 1 9 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.086 -0.116 18318
3557 1 9 . 1 1 46 46 GLN C C 43 178.500 178.500 177.961 0.539 18318
3558 1 9 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.544 0.156 18318
3559 1 9 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.767 -0.967 18318
3560 1 9 . 1 1 46 46 GLN H H 43 8.290 8.290 7.901 0.389 18318
3561 1 9 . 1 1 47 47 CYS N N 44 119.500 119.500 118.771 0.729 18318
3562 1 9 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.121 -0.031 18318
3563 1 9 . 1 1 47 47 CYS C C 44 176.500 176.500 177.006 -0.506 18318
3564 1 9 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.197 -1.897 18318
3565 1 9 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.317 13.584 18318
3566 1 9 . 1 1 47 47 CYS H H 44 7.590 7.590 7.729 -0.139 18318
3567 1 9 . 1 1 48 48 THR N N 45 113.000 113.000 113.537 -0.537 18318
3568 1 9 . 1 1 48 48 THR C C 45 175.900 175.900 176.243 -0.343 18318
3569 1 9 . 1 1 48 48 THR CA C 45 65.400 65.400 64.749 0.651 18318
3570 1 9 . 1 1 48 48 THR CB C 45 68.800 68.800 67.916 0.884 18318
3571 1 9 . 1 1 48 48 THR H H 45 8.810 8.810 7.707 1.103 18318
3572 1 9 . 1 1 49 49 SER N N 46 113.200 113.200 117.098 -3.898 18318
3573 1 9 . 1 1 49 49 SER HA H 46 4.380 4.380 4.331 0.049 18318
3574 1 9 . 1 1 49 49 SER C C 46 175.600 175.600 176.098 -0.498 18318
3575 1 9 . 1 1 49 49 SER CA C 46 60.000 60.000 61.169 -1.169 18318
3576 1 9 . 1 1 49 49 SER CB C 46 63.900 63.900 62.945 0.955 18318
3577 1 9 . 1 1 49 49 SER H H 46 7.890 7.890 7.598 0.292 18318
3578 1 9 . 1 1 50 50 SER N N 47 114.100 114.100 115.894 -1.794 18318
3579 1 9 . 1 1 50 50 SER HA H 47 4.390 4.390 4.259 0.131 18318
3580 1 9 . 1 1 50 50 SER CA C 47 59.100 59.100 60.247 -1.147 18318
3581 1 9 . 1 1 50 50 SER CB C 47 64.800 64.800 63.122 1.678 18318
3582 1 9 . 1 1 50 50 SER H H 47 7.770 7.770 8.110 -0.340 18318
3583 1 9 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.933 0.657 18318
3584 1 9 . 1 1 55 55 ARG C C 52 178.500 178.500 178.138 0.362 18318
3585 1 9 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.154 0.846 18318
3586 1 9 . 1 1 56 56 GLN N N 53 117.700 117.700 117.706 -0.006 18318
3587 1 9 . 1 1 56 56 GLN C C 53 175.000 175.000 177.779 -2.779 18318
3588 1 9 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.707 1.493 18318
3589 1 9 . 1 1 56 56 GLN H H 53 8.110 8.110 8.366 -0.256 18318
3590 1 9 . 1 1 57 57 ILE N N 54 121.200 121.200 117.609 3.591 18318
3591 1 9 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.864 -0.544 18318
3592 1 9 . 1 1 57 57 ILE C C 54 178.700 178.700 177.482 1.218 18318
3593 1 9 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.303 2.697 18318
3594 1 9 . 1 1 57 57 ILE CB C 54 37.700 37.700 38.039 -0.339 18318
3595 1 9 . 1 1 57 57 ILE H H 54 7.820 7.820 7.449 0.371 18318
3596 1 9 . 1 1 58 58 ARG N N 55 118.900 118.900 119.506 -0.606 18318
3597 1 9 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.336 -0.026 18318
3598 1 9 . 1 1 58 58 ARG C C 55 178.600 178.600 177.926 0.674 18318
3599 1 9 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.562 1.337 18318
3600 1 9 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.955 1.545 18318
3601 1 9 . 1 1 58 58 ARG H H 55 8.250 8.250 7.331 0.919 18318
3602 1 9 . 1 1 59 59 GLN N N 56 115.800 115.800 117.206 -1.406 18318
3603 1 9 . 1 1 59 59 GLN C C 56 178.100 178.100 176.656 1.444 18318
3604 1 9 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.285 -0.285 18318
3605 1 9 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.968 -0.168 18318
3606 1 9 . 1 1 59 59 GLN H H 56 7.920 7.920 7.867 0.053 18318
3607 1 9 . 1 1 60 60 ALA N N 57 121.600 121.600 120.479 1.121 18318
3608 1 9 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.300 -0.120 18318
3609 1 9 . 1 1 60 60 ALA C C 57 179.600 179.600 177.209 2.391 18318
3610 1 9 . 1 1 60 60 ALA CA C 57 54.500 54.500 52.884 1.616 18318
3611 1 9 . 1 1 60 60 ALA CB C 57 18.900 18.900 20.600 -1.700 18318
3612 1 9 . 1 1 60 60 ALA H H 57 8.490 8.490 7.588 0.902 18318
3613 1 9 . 1 1 61 61 CYS N N 58 114.000 114.000 118.931 -4.931 18318
3614 1 9 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.542 0.588 18318
3615 1 9 . 1 1 61 61 CYS C C 58 175.000 175.000 174.573 0.427 18318
3616 1 9 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.824 -7.123 18318
3617 1 9 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.447 15.353 18318
3618 1 9 . 1 1 61 61 CYS H H 58 8.370 8.370 7.920 0.450 18318
3619 1 9 . 1 1 62 62 ALA N N 59 124.900 124.900 128.891 -3.991 18318
3620 1 9 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.550 -0.280 18318
3621 1 9 . 1 1 62 62 ALA C C 59 179.200 179.200 178.336 0.864 18318
3622 1 9 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.925 2.575 18318
3623 1 9 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.545 -0.745 18318
3624 1 9 . 1 1 62 62 ALA H H 59 7.200 7.200 7.960 -0.760 18318
3625 1 9 . 1 1 63 63 GLN N N 60 115.800 115.800 120.182 -4.382 18318
3626 1 9 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.341 0.139 18318
3627 1 9 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.046 0.154 18318
3628 1 9 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.919 -2.219 18318
3629 1 9 . 1 1 63 63 GLN H H 60 9.040 9.040 8.830 0.210 18318
3630 1 9 . 1 1 64 64 PRO C C 61 179.700 179.700 177.587 2.113 18318
3631 1 9 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.174 0.426 18318
3632 1 9 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.086 -0.286 18318
3633 1 9 . 1 1 65 65 PHE N N 62 120.500 120.500 119.414 1.086 18318
3634 1 9 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.332 -0.052 18318
3635 1 9 . 1 1 65 65 PHE C C 62 176.400 176.400 176.682 -0.282 18318
3636 1 9 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.194 3.205 18318
3637 1 9 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.749 -0.149 18318
3638 1 9 . 1 1 65 65 PHE H H 62 8.500 8.500 8.107 0.393 18318
3639 1 9 . 1 1 66 66 GLU N N 63 120.200 120.200 119.518 0.682 18318
3640 1 9 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.536 0.494 18318
3641 1 9 . 1 1 66 66 GLU C C 63 179.300 179.300 178.633 0.667 18318
3642 1 9 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.220 -0.020 18318
3643 1 9 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.410 -0.910 18318
3644 1 9 . 1 1 66 66 GLU H H 63 8.900 8.900 8.319 0.581 18318
3645 1 9 . 1 1 67 67 ALA N N 64 120.600 120.600 122.451 -1.851 18318
3646 1 9 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.916 -0.046 18318
3647 1 9 . 1 1 67 67 ALA C C 64 180.500 180.500 179.474 1.026 18318
3648 1 9 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.825 -0.125 18318
3649 1 9 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.268 -0.168 18318
3650 1 9 . 1 1 67 67 ALA H H 64 8.150 8.150 7.155 0.995 18318
3651 1 9 . 1 1 68 68 PHE N N 65 120.000 120.000 117.474 2.526 18318
3652 1 9 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.131 0.189 18318
3653 1 9 . 1 1 68 68 PHE C C 65 175.400 175.400 178.060 -2.660 18318
3654 1 9 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.000 -0.200 18318
3655 1 9 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.778 0.222 18318
3656 1 9 . 1 1 68 68 PHE H H 65 7.810 7.810 7.013 0.797 18318
3657 1 9 . 1 1 69 69 GLU N N 66 119.400 119.400 118.521 0.879 18318
3658 1 9 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.885 0.285 18318
3659 1 9 . 1 1 69 69 GLU C C 66 178.800 178.800 178.736 0.064 18318
3660 1 9 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.233 0.967 18318
3661 1 9 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.147 -0.047 18318
3662 1 9 . 1 1 69 69 GLU H H 66 8.330 8.330 7.789 0.541 18318
3663 1 9 . 1 1 70 70 GLU N N 67 118.600 118.600 119.089 -0.489 18318
3664 1 9 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.166 -0.196 18318
3665 1 9 . 1 1 70 70 GLU C C 67 177.700 177.700 178.327 -0.627 18318
3666 1 9 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.663 0.137 18318
3667 1 9 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.811 -1.111 18318
3668 1 9 . 1 1 70 70 GLU H H 67 8.240 8.240 7.739 0.501 18318
3669 1 9 . 1 1 71 71 CYS N N 68 119.100 119.100 119.372 -0.272 18318
3670 1 9 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.222 -0.142 18318
3671 1 9 . 1 1 71 71 CYS C C 68 177.900 177.900 177.525 0.375 18318
3672 1 9 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.394 -2.794 18318
3673 1 9 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.402 12.598 18318
3674 1 9 . 1 1 71 71 CYS H H 68 7.580 7.580 7.975 -0.395 18318
3675 1 9 . 1 1 72 72 LEU N N 69 122.000 122.000 118.945 3.055 18318
3676 1 9 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.308 -0.608 18318
3677 1 9 . 1 1 72 72 LEU C C 69 179.300 179.300 178.805 0.495 18318
3678 1 9 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.428 0.172 18318
3679 1 9 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.723 -0.723 18318
3680 1 9 . 1 1 72 72 LEU H H 69 8.090 8.090 7.760 0.330 18318
3681 1 9 . 1 1 73 73 ARG N N 70 117.400 117.400 119.481 -2.081 18318
3682 1 9 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.979 0.031 18318
3683 1 9 . 1 1 73 73 ARG C C 70 178.500 178.500 178.027 0.473 18318
3684 1 9 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.934 -0.234 18318
3685 1 9 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.842 0.258 18318
3686 1 9 . 1 1 73 73 ARG H H 70 7.600 7.600 7.594 0.006 18318
3687 1 9 . 1 1 74 74 GLN N N 71 115.800 115.800 115.039 0.761 18318
3688 1 9 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.458 -0.168 18318
3689 1 9 . 1 1 74 74 GLN C C 71 176.200 176.200 175.942 0.258 18318
3690 1 9 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.215 0.185 18318
3691 1 9 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.963 -1.763 18318
3692 1 9 . 1 1 74 74 GLN H H 71 7.580 7.580 7.694 -0.114 18318
3693 1 9 . 1 1 75 75 ASN N N 72 118.600 118.600 117.217 1.383 18318
3694 1 9 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.016 -0.026 18318
3695 1 9 . 1 1 75 75 ASN C C 72 174.800 174.800 175.287 -0.487 18318
3696 1 9 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.793 0.207 18318
3697 1 9 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.866 0.934 18318
3698 1 9 . 1 1 75 75 ASN H H 72 7.750 7.750 8.165 -0.415 18318
3699 1 9 . 1 1 76 76 GLU N N 73 120.200 120.200 122.534 -2.334 18318
3700 1 9 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.958 0.002 18318
3701 1 9 . 1 1 76 76 GLU C C 73 176.800 176.800 176.900 -0.100 18318
3702 1 9 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.641 -0.440 18318
3703 1 9 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.795 -0.695 18318
3704 1 9 . 1 1 76 76 GLU H H 73 7.950 7.950 8.130 -0.180 18318
3705 1 9 . 1 1 77 77 ALA N N 74 119.200 119.200 118.641 0.559 18318
3706 1 9 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.450 -0.090 18318
3707 1 9 . 1 1 77 77 ALA C C 74 175.400 175.400 177.008 -1.608 18318
3708 1 9 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.942 0.158 18318
3709 1 9 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.328 -0.127 18318
3710 1 9 . 1 1 77 77 ALA H H 74 8.320 8.320 8.014 0.306 18318
3711 1 9 . 1 1 78 78 ALA N N 75 124.400 124.400 122.405 1.995 18318
3712 1 9 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.703 -0.323 18318
3713 1 9 . 1 1 78 78 ALA C C 75 177.200 177.200 178.117 -0.917 18318
3714 1 9 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.811 -0.411 18318
3715 1 9 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.536 -1.536 18318
3716 1 9 . 1 1 78 78 ALA H H 75 7.900 7.900 7.475 0.425 18318
3717 1 9 . 1 1 79 79 VAL N N 76 118.400 118.400 119.570 -1.170 18318
3718 1 9 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.365 -0.575 18318
3719 1 9 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.065 2.035 18318
3720 1 9 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.349 -0.049 18318
3721 1 9 . 1 1 79 79 VAL H H 76 8.100 8.100 8.249 -0.149 18318
3722 1 9 . 1 1 80 80 GLY C C 77 175.900 175.900 175.296 0.604 18318
3723 1 9 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.936 -0.536 18318
3724 1 9 . 1 1 81 81 ASN N N 78 119.300 119.300 116.872 2.428 18318
3725 1 9 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.929 -0.329 18318
3726 1 9 . 1 1 81 81 ASN C C 78 176.700 176.700 173.616 3.084 18318
3727 1 9 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.099 1.401 18318
3728 1 9 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.840 -2.540 18318
3729 1 9 . 1 1 81 81 ASN H H 78 8.200 8.200 7.978 0.222 18318
3730 1 9 . 1 1 82 82 CYS N N 79 117.200 117.200 118.500 -1.300 18318
3731 1 9 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.721 0.679 18318
3732 1 9 . 1 1 82 82 CYS C C 79 175.800 175.800 172.238 3.562 18318
3733 1 9 . 1 1 82 82 CYS CA C 79 53.500 53.500 59.258 -5.758 18318
3734 1 9 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.619 8.681 18318
3735 1 9 . 1 1 82 82 CYS H H 79 8.330 8.330 8.085 0.245 18318
3736 1 9 . 1 1 83 83 ALA N N 80 125.000 125.000 127.742 -2.742 18318
3737 1 9 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.718 -0.568 18318
3738 1 9 . 1 1 83 83 ALA C C 80 179.900 179.900 176.959 2.941 18318
3739 1 9 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.391 4.809 18318
3740 1 9 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.344 -3.144 18318
3741 1 9 . 1 1 83 83 ALA H H 80 7.700 7.700 8.167 -0.467 18318
3742 1 9 . 1 1 84 84 GLU N N 81 118.900 118.900 125.303 -6.403 18318
3743 1 9 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.911 0.039 18318
3744 1 9 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.175 -0.175 18318
3745 1 9 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.617 -0.717 18318
3746 1 9 . 1 1 84 84 GLU H H 81 8.920 8.920 8.942 -0.022 18318
3747 1 9 . 1 1 85 85 HIS C C 82 178.500 178.500 177.322 1.178 18318
3748 1 9 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.804 -3.704 18318
3749 1 9 . 1 1 86 86 MET N N 83 118.800 118.800 117.506 1.294 18318
3750 1 9 . 1 1 86 86 MET C C 83 177.200 177.200 178.406 -1.206 18318
3751 1 9 . 1 1 86 86 MET CA C 83 58.900 58.900 59.062 -0.162 18318
3752 1 9 . 1 1 86 86 MET CB C 83 31.300 31.300 32.425 -1.125 18318
3753 1 9 . 1 1 86 86 MET H H 83 7.460 7.460 8.403 -0.943 18318
3754 1 9 . 1 1 87 87 ARG N N 84 119.500 119.500 117.610 1.890 18318
3755 1 9 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.056 -0.146 18318
3756 1 9 . 1 1 87 87 ARG C C 84 178.600 178.600 178.216 0.384 18318
3757 1 9 . 1 1 87 87 ARG CA C 84 59.900 59.900 57.709 2.191 18318
3758 1 9 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.138 0.362 18318
3759 1 9 . 1 1 87 87 ARG H H 84 8.220 8.220 7.464 0.756 18318
3760 1 9 . 1 1 88 88 ARG N N 85 117.900 117.900 120.589 -2.689 18318
3761 1 9 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.057 -0.137 18318
3762 1 9 . 1 1 88 88 ARG C C 85 179.700 179.700 178.775 0.925 18318
3763 1 9 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.069 -0.569 18318
3764 1 9 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.954 0.046 18318
3765 1 9 . 1 1 88 88 ARG H H 85 8.100 8.100 7.636 0.464 18318
3766 1 9 . 1 1 89 89 PHE N N 86 119.700 119.700 118.065 1.635 18318
3767 1 9 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.335 0.015 18318
3768 1 9 . 1 1 89 89 PHE C C 86 175.600 175.600 177.067 -1.467 18318
3769 1 9 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.496 0.604 18318
3770 1 9 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.370 -1.570 18318
3771 1 9 . 1 1 89 89 PHE H H 86 7.930 7.930 8.086 -0.156 18318
3772 1 9 . 1 1 90 90 LEU N N 87 120.400 120.400 119.711 0.689 18318
3773 1 9 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.189 -0.479 18318
3774 1 9 . 1 1 90 90 LEU C C 87 179.200 179.200 178.836 0.364 18318
3775 1 9 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.292 0.408 18318
3776 1 9 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.372 -1.072 18318
3777 1 9 . 1 1 90 90 LEU H H 87 8.640 8.640 7.384 1.256 18318
3778 1 9 . 1 1 91 91 GLN N N 88 118.200 118.200 119.229 -1.029 18318
3779 1 9 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.162 -0.122 18318
3780 1 9 . 1 1 91 91 GLN C C 88 178.000 178.000 178.764 -0.764 18318
3781 1 9 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.974 -0.274 18318
3782 1 9 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.459 -0.459 18318
3783 1 9 . 1 1 91 91 GLN H H 88 8.380 8.380 8.657 -0.277 18318
3784 1 9 . 1 1 92 92 CYS N N 89 119.000 119.000 117.018 1.982 18318
3785 1 9 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.153 -0.103 18318
3786 1 9 . 1 1 92 92 CYS C C 89 176.600 176.600 177.090 -0.490 18318
3787 1 9 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.965 -1.865 18318
3788 1 9 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.683 13.817 18318
3789 1 9 . 1 1 92 92 CYS H H 89 7.390 7.390 7.680 -0.290 18318
3790 1 9 . 1 1 93 93 ALA N N 90 122.900 122.900 122.568 0.332 18318
3791 1 9 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.105 -0.195 18318
3792 1 9 . 1 1 93 93 ALA C C 90 179.200 179.200 179.513 -0.313 18318
3793 1 9 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.833 -0.133 18318
3794 1 9 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.499 -0.699 18318
3795 1 9 . 1 1 93 93 ALA H H 90 8.410 8.410 7.533 0.877 18318
3796 1 9 . 1 1 94 94 GLU N N 91 115.800 115.800 119.147 -3.347 18318
3797 1 9 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.015 0.135 18318
3798 1 9 . 1 1 94 94 GLU C C 91 177.400 177.400 178.490 -1.090 18318
3799 1 9 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.345 -0.445 18318
3800 1 9 . 1 1 94 94 GLU CB C 91 29.400 29.400 28.948 0.452 18318
3801 1 9 . 1 1 94 94 GLU H H 91 7.880 7.880 8.183 -0.303 18318
3802 1 9 . 1 1 95 95 GLN N N 92 115.500 115.500 117.623 -2.123 18318
3803 1 9 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.169 0.121 18318
3804 1 9 . 1 1 95 95 GLN C C 92 176.600 176.600 176.561 0.039 18318
3805 1 9 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.508 -1.208 18318
3806 1 9 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.496 -0.596 18318
3807 1 9 . 1 1 95 95 GLN H H 92 7.450 7.450 8.003 -0.553 18318
3808 1 10 . 1 1 15 15 CYS N N 12 117.500 117.500 120.503 -3.003 18318
3809 1 10 . 1 1 15 15 CYS C C 12 175.500 175.500 175.837 -0.337 18318
3810 1 10 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.181 -4.481 18318
3811 1 10 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.755 6.945 18318
3812 1 10 . 1 1 15 15 CYS H H 12 8.280 8.280 8.992 -0.712 18318
3813 1 10 . 1 1 16 16 GLY N N 13 108.700 108.700 109.040 -0.340 18318
3814 1 10 . 1 1 16 16 GLY C C 13 176.600 176.600 175.498 1.102 18318
3815 1 10 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.327 1.573 18318
3816 1 10 . 1 1 16 16 GLY H H 13 8.080 8.080 8.624 -0.544 18318
3817 1 10 . 1 1 17 17 ARG N N 14 123.300 123.300 121.629 1.671 18318
3818 1 10 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.253 -0.293 18318
3819 1 10 . 1 1 17 17 ARG C C 14 179.300 179.300 177.925 1.375 18318
3820 1 10 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.026 1.174 18318
3821 1 10 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.000 0.100 18318
3822 1 10 . 1 1 17 17 ARG H H 14 8.630 8.630 8.602 0.028 18318
3823 1 10 . 1 1 18 18 GLU N N 15 121.900 121.900 119.923 1.977 18318
3824 1 10 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.135 0.035 18318
3825 1 10 . 1 1 18 18 GLU C C 15 177.900 177.900 178.271 -0.371 18318
3826 1 10 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.970 2.130 18318
3827 1 10 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.194 0.006 18318
3828 1 10 . 1 1 18 18 GLU H H 15 9.670 9.670 8.437 1.233 18318
3829 1 10 . 1 1 19 19 LEU N N 16 119.400 119.400 120.488 -1.088 18318
3830 1 10 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.908 2.992 18318
3831 1 10 . 1 1 19 19 LEU H H 16 8.090 8.090 7.632 0.458 18318
3832 1 10 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.048 -0.368 18318
3833 1 10 . 1 1 20 20 GLU C C 17 177.200 177.200 178.898 -1.698 18318
3834 1 10 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.271 0.029 18318
3835 1 10 . 1 1 20 20 GLU CB C 17 29.000 29.000 30.035 -1.035 18318
3836 1 10 . 1 1 21 21 GLN N N 18 118.500 118.500 119.417 -0.917 18318
3837 1 10 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.128 -0.088 18318
3838 1 10 . 1 1 21 21 GLN C C 18 177.200 177.200 178.198 -0.998 18318
3839 1 10 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.579 0.421 18318
3840 1 10 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.820 -0.120 18318
3841 1 10 . 1 1 21 21 GLN H H 18 8.560 8.560 8.275 0.285 18318
3842 1 10 . 1 1 22 22 TYR N N 19 120.700 120.700 120.042 0.658 18318
3843 1 10 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.553 -0.273 18318
3844 1 10 . 1 1 22 22 TYR C C 19 176.600 176.600 177.813 -1.213 18318
3845 1 10 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.209 1.891 18318
3846 1 10 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.382 0.518 18318
3847 1 10 . 1 1 22 22 TYR H H 19 8.120 8.120 7.957 0.163 18318
3848 1 10 . 1 1 23 23 GLY N N 20 105.600 105.600 107.036 -1.436 18318
3849 1 10 . 1 1 23 23 GLY C C 20 176.700 176.700 176.026 0.674 18318
3850 1 10 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.051 0.049 18318
3851 1 10 . 1 1 23 23 GLY H H 20 8.390 8.390 7.862 0.528 18318
3852 1 10 . 1 1 24 24 GLN N N 21 120.300 120.300 121.296 -0.996 18318
3853 1 10 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.067 -0.017 18318
3854 1 10 . 1 1 24 24 GLN C C 21 178.000 178.000 178.317 -0.317 18318
3855 1 10 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.310 -0.711 18318
3856 1 10 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.552 -0.952 18318
3857 1 10 . 1 1 24 24 GLN H H 21 8.130 8.130 7.707 0.423 18318
3858 1 10 . 1 1 25 25 CYS N N 22 121.500 121.500 118.980 2.520 18318
3859 1 10 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.481 -0.201 18318
3860 1 10 . 1 1 25 25 CYS C C 22 175.400 175.400 177.314 -1.914 18318
3861 1 10 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.604 -2.004 18318
3862 1 10 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.104 13.796 18318
3863 1 10 . 1 1 25 25 CYS H H 22 7.610 7.610 7.644 -0.034 18318
3864 1 10 . 1 1 26 26 VAL N N 23 119.900 119.900 120.272 -0.372 18318
3865 1 10 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.176 -0.386 18318
3866 1 10 . 1 1 26 26 VAL C C 23 177.100 177.100 177.239 -0.139 18318
3867 1 10 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.455 1.445 18318
3868 1 10 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.400 -2.100 18318
3869 1 10 . 1 1 26 26 VAL H H 23 8.040 8.040 7.490 0.550 18318
3870 1 10 . 1 1 27 27 ALA N N 24 117.400 117.400 121.820 -4.420 18318
3871 1 10 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.109 -0.009 18318
3872 1 10 . 1 1 27 27 ALA C C 24 178.600 178.600 179.077 -0.477 18318
3873 1 10 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.509 -0.409 18318
3874 1 10 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.766 -0.866 18318
3875 1 10 . 1 1 27 27 ALA H H 24 7.430 7.430 7.899 -0.469 18318
3876 1 10 . 1 1 28 28 ALA N N 25 116.100 116.100 121.013 -4.913 18318
3877 1 10 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.164 0.166 18318
3878 1 10 . 1 1 28 28 ALA C C 25 178.100 178.100 178.056 0.044 18318
3879 1 10 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.894 -1.294 18318
3880 1 10 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.562 -0.462 18318
3881 1 10 . 1 1 28 28 ALA H H 25 7.120 7.120 7.749 -0.629 18318
3882 1 10 . 1 1 29 29 LYS N N 26 119.200 119.200 113.872 5.328 18318
3883 1 10 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.743 4.957 18318
3884 1 10 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.726 -2.626 18318
3885 1 10 . 1 1 29 29 LYS H H 26 7.560 7.560 7.412 0.148 18318
3886 1 10 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.331 -0.121 18318
3887 1 10 . 1 1 30 30 PRO C C 27 177.000 177.000 178.132 -1.132 18318
3888 1 10 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.469 0.431 18318
3889 1 10 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.002 -0.402 18318
3890 1 10 . 1 1 31 31 GLU N N 28 114.600 114.600 118.519 -3.919 18318
3891 1 10 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.690 -0.240 18318
3892 1 10 . 1 1 31 31 GLU C C 28 176.100 176.100 178.764 -2.664 18318
3893 1 10 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.395 -1.195 18318
3894 1 10 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.352 1.248 18318
3895 1 10 . 1 1 31 31 GLU H H 28 8.770 8.770 8.935 -0.165 18318
3896 1 10 . 1 1 32 32 SER N N 29 111.000 111.000 114.744 -3.744 18318
3897 1 10 . 1 1 32 32 SER HA H 29 4.510 4.510 4.259 0.251 18318
3898 1 10 . 1 1 32 32 SER C C 29 176.600 176.600 176.032 0.568 18318
3899 1 10 . 1 1 32 32 SER CA C 29 58.500 58.500 60.959 -2.458 18318
3900 1 10 . 1 1 32 32 SER CB C 29 63.800 63.800 62.566 1.234 18318
3901 1 10 . 1 1 32 32 SER H H 29 7.750 7.750 8.461 -0.711 18318
3902 1 10 . 1 1 33 33 TRP N N 30 125.000 125.000 121.105 3.895 18318
3903 1 10 . 1 1 33 33 TRP C C 30 177.200 177.200 177.615 -0.415 18318
3904 1 10 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.750 0.250 18318
3905 1 10 . 1 1 33 33 TRP CB C 30 29.500 29.500 27.387 2.113 18318
3906 1 10 . 1 1 33 33 TRP H H 30 7.820 7.820 7.728 0.092 18318
3907 1 10 . 1 1 34 34 GLN N N 31 123.600 123.600 117.748 5.852 18318
3908 1 10 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.461 0.989 18318
3909 1 10 . 1 1 34 34 GLN C C 31 176.800 176.800 176.952 -0.152 18318
3910 1 10 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.033 2.866 18318
3911 1 10 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.435 -1.935 18318
3912 1 10 . 1 1 34 34 GLN H H 31 8.240 8.240 6.569 1.671 18318
3913 1 10 . 1 1 35 35 ARG N N 32 115.900 115.900 118.123 -2.223 18318
3914 1 10 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.926 0.354 18318
3915 1 10 . 1 1 35 35 ARG C C 32 178.900 178.900 178.315 0.585 18318
3916 1 10 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.802 -1.402 18318
3917 1 10 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.342 0.958 18318
3918 1 10 . 1 1 35 35 ARG H H 32 7.450 7.450 7.134 0.316 18318
3919 1 10 . 1 1 36 36 ASP N N 33 117.700 117.700 118.799 -1.099 18318
3920 1 10 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.469 -0.329 18318
3921 1 10 . 1 1 36 36 ASP C C 33 177.600 177.600 176.883 0.717 18318
3922 1 10 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.254 0.946 18318
3923 1 10 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.079 -0.179 18318
3924 1 10 . 1 1 36 36 ASP H H 33 8.760 8.760 8.322 0.438 18318
3925 1 10 . 1 1 37 37 CYS N N 34 113.300 113.300 115.481 -2.181 18318
3926 1 10 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.536 0.864 18318
3927 1 10 . 1 1 37 37 CYS C C 34 175.800 175.800 174.157 1.643 18318
3928 1 10 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.648 -3.548 18318
3929 1 10 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.867 13.633 18318
3930 1 10 . 1 1 37 37 CYS H H 34 8.260 8.260 7.572 0.688 18318
3931 1 10 . 1 1 38 38 HIS N N 35 124.200 124.200 124.055 0.145 18318
3932 1 10 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.182 0.168 18318
3933 1 10 . 1 1 38 38 HIS C C 35 177.400 177.400 176.359 1.041 18318
3934 1 10 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.632 2.368 18318
3935 1 10 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.038 -0.438 18318
3936 1 10 . 1 1 38 38 HIS H H 35 7.520 7.520 8.228 -0.708 18318
3937 1 10 . 1 1 39 39 TYR N N 36 117.100 117.100 115.773 1.327 18318
3938 1 10 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.438 -0.138 18318
3939 1 10 . 1 1 39 39 TYR C C 36 177.700 177.700 176.895 0.805 18318
3940 1 10 . 1 1 39 39 TYR CA C 36 60.600 60.600 58.818 1.782 18318
3941 1 10 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.417 -1.217 18318
3942 1 10 . 1 1 39 39 TYR H H 36 8.930 8.930 7.933 0.997 18318
3943 1 10 . 1 1 40 40 LEU N N 37 122.000 122.000 119.608 2.392 18318
3944 1 10 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.225 -0.055 18318
3945 1 10 . 1 1 40 40 LEU C C 37 179.400 179.400 178.915 0.485 18318
3946 1 10 . 1 1 40 40 LEU CA C 37 56.500 56.500 56.674 -0.174 18318
3947 1 10 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.606 0.794 18318
3948 1 10 . 1 1 40 40 LEU H H 37 6.940 6.940 7.406 -0.466 18318
3949 1 10 . 1 1 41 41 LYS N N 38 125.300 125.300 120.385 4.915 18318
3950 1 10 . 1 1 41 41 LYS C C 38 179.600 179.600 178.446 1.154 18318
3951 1 10 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.964 0.636 18318
3952 1 10 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.260 -1.260 18318
3953 1 10 . 1 1 41 41 LYS H H 38 7.880 7.880 7.649 0.231 18318
3954 1 10 . 1 1 42 42 MET N N 39 117.600 117.600 118.063 -0.463 18318
3955 1 10 . 1 1 42 42 MET HA H 39 4.120 4.120 4.300 -0.180 18318
3956 1 10 . 1 1 42 42 MET C C 39 178.900 178.900 178.140 0.760 18318
3957 1 10 . 1 1 42 42 MET CA C 39 57.200 57.200 58.164 -0.964 18318
3958 1 10 . 1 1 42 42 MET CB C 39 30.000 30.000 32.722 -2.722 18318
3959 1 10 . 1 1 42 42 MET H H 39 8.090 8.090 7.653 0.437 18318
3960 1 10 . 1 1 43 43 SER N N 40 115.900 115.900 115.781 0.119 18318
3961 1 10 . 1 1 43 43 SER HA H 40 4.290 4.290 4.433 -0.143 18318
3962 1 10 . 1 1 43 43 SER C C 40 177.400 177.400 176.446 0.954 18318
3963 1 10 . 1 1 43 43 SER CA C 40 61.700 61.700 61.435 0.265 18318
3964 1 10 . 1 1 43 43 SER CB C 40 62.500 62.500 63.179 -0.679 18318
3965 1 10 . 1 1 43 43 SER H H 40 7.600 7.600 7.686 -0.086 18318
3966 1 10 . 1 1 44 44 ILE N N 41 121.900 121.900 117.811 4.089 18318
3967 1 10 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.038 -0.498 18318
3968 1 10 . 1 1 44 44 ILE C C 41 177.500 177.500 177.404 0.096 18318
3969 1 10 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.663 2.438 18318
3970 1 10 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.314 0.586 18318
3971 1 10 . 1 1 44 44 ILE H H 41 7.540 7.540 7.585 -0.045 18318
3972 1 10 . 1 1 45 45 ALA N N 42 122.600 122.600 121.143 1.457 18318
3973 1 10 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.100 0.080 18318
3974 1 10 . 1 1 45 45 ALA C C 42 180.200 180.200 179.316 0.884 18318
3975 1 10 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.137 0.663 18318
3976 1 10 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.386 -1.086 18318
3977 1 10 . 1 1 45 45 ALA H H 42 7.420 7.420 7.546 -0.126 18318
3978 1 10 . 1 1 46 46 GLN N N 43 118.400 118.400 118.781 -0.381 18318
3979 1 10 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.047 -0.077 18318
3980 1 10 . 1 1 46 46 GLN C C 43 178.500 178.500 178.501 -0.001 18318
3981 1 10 . 1 1 46 46 GLN CA C 43 58.700 58.700 59.206 -0.506 18318
3982 1 10 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.057 -1.257 18318
3983 1 10 . 1 1 46 46 GLN H H 43 8.290 8.290 7.957 0.333 18318
3984 1 10 . 1 1 47 47 CYS N N 44 119.500 119.500 116.059 3.441 18318
3985 1 10 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.370 -0.280 18318
3986 1 10 . 1 1 47 47 CYS C C 44 176.500 176.500 176.242 0.258 18318
3987 1 10 . 1 1 47 47 CYS CA C 44 60.300 60.300 60.769 -0.469 18318
3988 1 10 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.052 13.848 18318
3989 1 10 . 1 1 47 47 CYS H H 44 7.590 7.590 7.778 -0.188 18318
3990 1 10 . 1 1 48 48 THR N N 45 113.000 113.000 114.403 -1.403 18318
3991 1 10 . 1 1 48 48 THR C C 45 175.900 175.900 175.664 0.236 18318
3992 1 10 . 1 1 48 48 THR CA C 45 65.400 65.400 64.383 1.017 18318
3993 1 10 . 1 1 48 48 THR CB C 45 68.800 68.800 68.109 0.691 18318
3994 1 10 . 1 1 48 48 THR H H 45 8.810 8.810 7.638 1.172 18318
3995 1 10 . 1 1 49 49 SER N N 46 113.200 113.200 116.641 -3.441 18318
3996 1 10 . 1 1 49 49 SER HA H 46 4.380 4.380 4.217 0.163 18318
3997 1 10 . 1 1 49 49 SER C C 46 175.600 175.600 175.180 0.420 18318
3998 1 10 . 1 1 49 49 SER CA C 46 60.000 60.000 61.027 -1.027 18318
3999 1 10 . 1 1 49 49 SER CB C 46 63.900 63.900 63.443 0.457 18318
4000 1 10 . 1 1 49 49 SER H H 46 7.890 7.890 7.970 -0.080 18318
4001 1 10 . 1 1 50 50 SER N N 47 114.100 114.100 112.826 1.274 18318
4002 1 10 . 1 1 50 50 SER HA H 47 4.390 4.390 4.595 -0.205 18318
4003 1 10 . 1 1 50 50 SER CA C 47 59.100 59.100 59.093 0.007 18318
4004 1 10 . 1 1 50 50 SER CB C 47 64.800 64.800 65.105 -0.305 18318
4005 1 10 . 1 1 50 50 SER H H 47 7.770 7.770 7.970 -0.200 18318
4006 1 10 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.152 0.438 18318
4007 1 10 . 1 1 55 55 ARG C C 52 178.500 178.500 178.021 0.479 18318
4008 1 10 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.577 1.423 18318
4009 1 10 . 1 1 56 56 GLN N N 53 117.700 117.700 117.082 0.618 18318
4010 1 10 . 1 1 56 56 GLN C C 53 175.000 175.000 178.318 -3.318 18318
4011 1 10 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.766 1.434 18318
4012 1 10 . 1 1 56 56 GLN H H 53 8.110 8.110 8.650 -0.540 18318
4013 1 10 . 1 1 57 57 ILE N N 54 121.200 121.200 115.114 6.086 18318
4014 1 10 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.872 -0.552 18318
4015 1 10 . 1 1 57 57 ILE C C 54 178.700 178.700 177.925 0.775 18318
4016 1 10 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.809 2.191 18318
4017 1 10 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.363 0.337 18318
4018 1 10 . 1 1 57 57 ILE H H 54 7.820 7.820 7.998 -0.178 18318
4019 1 10 . 1 1 58 58 ARG N N 55 118.900 118.900 119.839 -0.939 18318
4020 1 10 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.029 0.281 18318
4021 1 10 . 1 1 58 58 ARG C C 55 178.600 178.600 178.166 0.434 18318
4022 1 10 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.635 1.265 18318
4023 1 10 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.957 1.543 18318
4024 1 10 . 1 1 58 58 ARG H H 55 8.250 8.250 7.515 0.735 18318
4025 1 10 . 1 1 59 59 GLN N N 56 115.800 115.800 119.418 -3.618 18318
4026 1 10 . 1 1 59 59 GLN C C 56 178.100 178.100 177.019 1.081 18318
4027 1 10 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.197 -0.197 18318
4028 1 10 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.302 0.498 18318
4029 1 10 . 1 1 59 59 GLN H H 56 7.920 7.920 7.856 0.064 18318
4030 1 10 . 1 1 60 60 ALA N N 57 121.600 121.600 121.434 0.166 18318
4031 1 10 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.035 0.145 18318
4032 1 10 . 1 1 60 60 ALA C C 57 179.600 179.600 177.833 1.767 18318
4033 1 10 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.353 1.147 18318
4034 1 10 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.049 -0.149 18318
4035 1 10 . 1 1 60 60 ALA H H 57 8.490 8.490 7.622 0.868 18318
4036 1 10 . 1 1 61 61 CYS N N 58 114.000 114.000 117.575 -3.575 18318
4037 1 10 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.206 0.924 18318
4038 1 10 . 1 1 61 61 CYS C C 58 175.000 175.000 174.631 0.369 18318
4039 1 10 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.932 -8.232 18318
4040 1 10 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.835 14.965 18318
4041 1 10 . 1 1 61 61 CYS H H 58 8.370 8.370 7.691 0.679 18318
4042 1 10 . 1 1 62 62 ALA N N 59 124.900 124.900 128.359 -3.459 18318
4043 1 10 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.527 -0.257 18318
4044 1 10 . 1 1 62 62 ALA C C 59 179.200 179.200 178.902 0.298 18318
4045 1 10 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.205 3.296 18318
4046 1 10 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.900 -1.100 18318
4047 1 10 . 1 1 62 62 ALA H H 59 7.200 7.200 8.221 -1.021 18318
4048 1 10 . 1 1 63 63 GLN N N 60 115.800 115.800 119.506 -3.706 18318
4049 1 10 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.076 0.404 18318
4050 1 10 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.032 0.168 18318
4051 1 10 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.945 -2.245 18318
4052 1 10 . 1 1 63 63 GLN H H 60 9.040 9.040 8.780 0.260 18318
4053 1 10 . 1 1 64 64 PRO C C 61 179.700 179.700 177.821 1.879 18318
4054 1 10 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.584 0.016 18318
4055 1 10 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.012 -0.212 18318
4056 1 10 . 1 1 65 65 PHE N N 62 120.500 120.500 118.757 1.743 18318
4057 1 10 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.330 -0.050 18318
4058 1 10 . 1 1 65 65 PHE C C 62 176.400 176.400 176.627 -0.227 18318
4059 1 10 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.468 1.932 18318
4060 1 10 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.150 -0.550 18318
4061 1 10 . 1 1 65 65 PHE H H 62 8.500 8.500 8.030 0.470 18318
4062 1 10 . 1 1 66 66 GLU N N 63 120.200 120.200 120.740 -0.540 18318
4063 1 10 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.770 0.260 18318
4064 1 10 . 1 1 66 66 GLU C C 63 179.300 179.300 177.879 1.421 18318
4065 1 10 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.548 -0.348 18318
4066 1 10 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.616 -1.116 18318
4067 1 10 . 1 1 66 66 GLU H H 63 8.900 8.900 8.373 0.527 18318
4068 1 10 . 1 1 67 67 ALA N N 64 120.600 120.600 122.134 -1.534 18318
4069 1 10 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.889 -0.019 18318
4070 1 10 . 1 1 67 67 ALA C C 64 180.500 180.500 179.786 0.714 18318
4071 1 10 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.886 -0.186 18318
4072 1 10 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.985 0.115 18318
4073 1 10 . 1 1 67 67 ALA H H 64 8.150 8.150 7.242 0.908 18318
4074 1 10 . 1 1 68 68 PHE N N 65 120.000 120.000 116.412 3.588 18318
4075 1 10 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.135 0.185 18318
4076 1 10 . 1 1 68 68 PHE C C 65 175.400 175.400 177.593 -2.193 18318
4077 1 10 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.398 0.402 18318
4078 1 10 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.751 0.249 18318
4079 1 10 . 1 1 68 68 PHE H H 65 7.810 7.810 6.852 0.958 18318
4080 1 10 . 1 1 69 69 GLU N N 66 119.400 119.400 120.764 -1.364 18318
4081 1 10 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.968 0.202 18318
4082 1 10 . 1 1 69 69 GLU C C 66 178.800 178.800 179.148 -0.348 18318
4083 1 10 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.361 0.839 18318
4084 1 10 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.025 0.075 18318
4085 1 10 . 1 1 69 69 GLU H H 66 8.330 8.330 7.840 0.490 18318
4086 1 10 . 1 1 70 70 GLU N N 67 118.600 118.600 118.814 -0.214 18318
4087 1 10 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.106 -0.136 18318
4088 1 10 . 1 1 70 70 GLU C C 67 177.700 177.700 178.601 -0.901 18318
4089 1 10 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.902 -0.102 18318
4090 1 10 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.655 -0.955 18318
4091 1 10 . 1 1 70 70 GLU H H 67 8.240 8.240 8.208 0.032 18318
4092 1 10 . 1 1 71 71 CYS N N 68 119.100 119.100 118.837 0.263 18318
4093 1 10 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.153 -0.073 18318
4094 1 10 . 1 1 71 71 CYS C C 68 177.900 177.900 177.402 0.498 18318
4095 1 10 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.313 -2.713 18318
4096 1 10 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.410 12.590 18318
4097 1 10 . 1 1 71 71 CYS H H 68 7.580 7.580 7.775 -0.195 18318
4098 1 10 . 1 1 72 72 LEU N N 69 122.000 122.000 118.588 3.412 18318
4099 1 10 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.274 -0.574 18318
4100 1 10 . 1 1 72 72 LEU C C 69 179.300 179.300 178.958 0.342 18318
4101 1 10 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.399 0.201 18318
4102 1 10 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.536 -0.536 18318
4103 1 10 . 1 1 72 72 LEU H H 69 8.090 8.090 7.746 0.344 18318
4104 1 10 . 1 1 73 73 ARG N N 70 117.400 117.400 119.282 -1.882 18318
4105 1 10 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.005 0.005 18318
4106 1 10 . 1 1 73 73 ARG C C 70 178.500 178.500 178.035 0.465 18318
4107 1 10 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.504 0.196 18318
4108 1 10 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.135 -0.035 18318
4109 1 10 . 1 1 73 73 ARG H H 70 7.600 7.600 7.700 -0.100 18318
4110 1 10 . 1 1 74 74 GLN N N 71 115.800 115.800 115.259 0.541 18318
4111 1 10 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.453 -0.163 18318
4112 1 10 . 1 1 74 74 GLN C C 71 176.200 176.200 175.783 0.417 18318
4113 1 10 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.539 -0.139 18318
4114 1 10 . 1 1 74 74 GLN CB C 71 29.200 29.200 29.799 -0.598 18318
4115 1 10 . 1 1 74 74 GLN H H 71 7.580 7.580 7.759 -0.179 18318
4116 1 10 . 1 1 75 75 ASN N N 72 118.600 118.600 118.122 0.478 18318
4117 1 10 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.860 0.130 18318
4118 1 10 . 1 1 75 75 ASN C C 72 174.800 174.800 174.653 0.147 18318
4119 1 10 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.043 -0.043 18318
4120 1 10 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.102 0.698 18318
4121 1 10 . 1 1 75 75 ASN H H 72 7.750 7.750 7.762 -0.012 18318
4122 1 10 . 1 1 76 76 GLU N N 73 120.200 120.200 122.831 -2.631 18318
4123 1 10 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.961 -0.001 18318
4124 1 10 . 1 1 76 76 GLU C C 73 176.800 176.800 176.580 0.220 18318
4125 1 10 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.327 -0.127 18318
4126 1 10 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.747 -0.647 18318
4127 1 10 . 1 1 76 76 GLU H H 73 7.950 7.950 8.138 -0.188 18318
4128 1 10 . 1 1 77 77 ALA N N 74 119.200 119.200 119.374 -0.174 18318
4129 1 10 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.429 -0.069 18318
4130 1 10 . 1 1 77 77 ALA C C 74 175.400 175.400 177.038 -1.638 18318
4131 1 10 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.878 0.222 18318
4132 1 10 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.229 -0.029 18318
4133 1 10 . 1 1 77 77 ALA H H 74 8.320 8.320 8.015 0.305 18318
4134 1 10 . 1 1 78 78 ALA N N 75 124.400 124.400 122.248 2.152 18318
4135 1 10 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.692 -0.312 18318
4136 1 10 . 1 1 78 78 ALA C C 75 177.200 177.200 178.174 -0.974 18318
4137 1 10 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.725 -0.325 18318
4138 1 10 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.546 -1.546 18318
4139 1 10 . 1 1 78 78 ALA H H 75 7.900 7.900 7.494 0.406 18318
4140 1 10 . 1 1 79 79 VAL N N 76 118.400 118.400 118.960 -0.560 18318
4141 1 10 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.281 -0.491 18318
4142 1 10 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.932 1.167 18318
4143 1 10 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.171 0.129 18318
4144 1 10 . 1 1 79 79 VAL H H 76 8.100 8.100 8.201 -0.101 18318
4145 1 10 . 1 1 80 80 GLY C C 77 175.900 175.900 175.570 0.330 18318
4146 1 10 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.233 0.167 18318
4147 1 10 . 1 1 81 81 ASN N N 78 119.300 119.300 117.714 1.586 18318
4148 1 10 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.856 -0.256 18318
4149 1 10 . 1 1 81 81 ASN C C 78 176.700 176.700 175.202 1.498 18318
4150 1 10 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.909 0.591 18318
4151 1 10 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.614 -3.314 18318
4152 1 10 . 1 1 81 81 ASN H H 78 8.200 8.200 7.824 0.376 18318
4153 1 10 . 1 1 82 82 CYS N N 79 117.200 117.200 115.928 1.272 18318
4154 1 10 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.811 0.589 18318
4155 1 10 . 1 1 82 82 CYS C C 79 175.800 175.800 172.735 3.065 18318
4156 1 10 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.103 -2.603 18318
4157 1 10 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.654 8.646 18318
4158 1 10 . 1 1 82 82 CYS H H 79 8.330 8.330 7.562 0.768 18318
4159 1 10 . 1 1 83 83 ALA N N 80 125.000 125.000 124.688 0.312 18318
4160 1 10 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.699 -0.549 18318
4161 1 10 . 1 1 83 83 ALA C C 80 179.900 179.900 177.466 2.434 18318
4162 1 10 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.577 5.623 18318
4163 1 10 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.406 -1.206 18318
4164 1 10 . 1 1 83 83 ALA H H 80 7.700 7.700 8.496 -0.796 18318
4165 1 10 . 1 1 84 84 GLU N N 81 118.900 118.900 126.568 -7.668 18318
4166 1 10 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.691 0.259 18318
4167 1 10 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.361 -0.361 18318
4168 1 10 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.397 -0.497 18318
4169 1 10 . 1 1 84 84 GLU H H 81 8.920 8.920 8.974 -0.054 18318
4170 1 10 . 1 1 85 85 HIS C C 82 178.500 178.500 177.223 1.277 18318
4171 1 10 . 1 1 85 85 HIS CA C 82 56.100 56.100 60.270 -4.170 18318
4172 1 10 . 1 1 86 86 MET N N 83 118.800 118.800 117.431 1.369 18318
4173 1 10 . 1 1 86 86 MET C C 83 177.200 177.200 178.570 -1.370 18318
4174 1 10 . 1 1 86 86 MET CA C 83 58.900 58.900 58.001 0.900 18318
4175 1 10 . 1 1 86 86 MET CB C 83 31.300 31.300 32.657 -1.357 18318
4176 1 10 . 1 1 86 86 MET H H 83 7.460 7.460 8.262 -0.802 18318
4177 1 10 . 1 1 87 87 ARG N N 84 119.500 119.500 118.948 0.552 18318
4178 1 10 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.886 0.024 18318
4179 1 10 . 1 1 87 87 ARG C C 84 178.600 178.600 178.096 0.504 18318
4180 1 10 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.304 1.595 18318
4181 1 10 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.772 0.728 18318
4182 1 10 . 1 1 87 87 ARG H H 84 8.220 8.220 8.300 -0.080 18318
4183 1 10 . 1 1 88 88 ARG N N 85 117.900 117.900 120.132 -2.232 18318
4184 1 10 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.222 -0.302 18318
4185 1 10 . 1 1 88 88 ARG C C 85 179.700 179.700 178.838 0.862 18318
4186 1 10 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.779 -0.279 18318
4187 1 10 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.159 -0.159 18318
4188 1 10 . 1 1 88 88 ARG H H 85 8.100 8.100 8.045 0.055 18318
4189 1 10 . 1 1 89 89 PHE N N 86 119.700 119.700 118.007 1.693 18318
4190 1 10 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.320 0.030 18318
4191 1 10 . 1 1 89 89 PHE C C 86 175.600 175.600 177.712 -2.112 18318
4192 1 10 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.724 0.376 18318
4193 1 10 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.930 -1.130 18318
4194 1 10 . 1 1 89 89 PHE H H 86 7.930 7.930 7.620 0.310 18318
4195 1 10 . 1 1 90 90 LEU N N 87 120.400 120.400 120.920 -0.520 18318
4196 1 10 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.000 -0.290 18318
4197 1 10 . 1 1 90 90 LEU C C 87 179.200 179.200 178.366 0.834 18318
4198 1 10 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.217 -0.517 18318
4199 1 10 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.723 -1.423 18318
4200 1 10 . 1 1 90 90 LEU H H 87 8.640 8.640 7.478 1.162 18318
4201 1 10 . 1 1 91 91 GLN N N 88 118.200 118.200 119.035 -0.835 18318
4202 1 10 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.017 0.023 18318
4203 1 10 . 1 1 91 91 GLN C C 88 178.000 178.000 178.749 -0.749 18318
4204 1 10 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.534 -0.834 18318
4205 1 10 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.412 -0.412 18318
4206 1 10 . 1 1 91 91 GLN H H 88 8.380 8.380 8.612 -0.232 18318
4207 1 10 . 1 1 92 92 CYS N N 89 119.000 119.000 117.041 1.959 18318
4208 1 10 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.199 -0.149 18318
4209 1 10 . 1 1 92 92 CYS C C 89 176.600 176.600 177.268 -0.668 18318
4210 1 10 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.989 -1.889 18318
4211 1 10 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.761 13.739 18318
4212 1 10 . 1 1 92 92 CYS H H 89 7.390 7.390 8.006 -0.616 18318
4213 1 10 . 1 1 93 93 ALA N N 90 122.900 122.900 122.286 0.614 18318
4214 1 10 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.044 -0.134 18318
4215 1 10 . 1 1 93 93 ALA C C 90 179.200 179.200 179.810 -0.610 18318
4216 1 10 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.737 -0.037 18318
4217 1 10 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.421 -0.621 18318
4218 1 10 . 1 1 93 93 ALA H H 90 8.410 8.410 7.152 1.258 18318
4219 1 10 . 1 1 94 94 GLU N N 91 115.800 115.800 119.170 -3.370 18318
4220 1 10 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.022 0.128 18318
4221 1 10 . 1 1 94 94 GLU C C 91 177.400 177.400 178.581 -1.181 18318
4222 1 10 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.481 -0.581 18318
4223 1 10 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.710 -0.310 18318
4224 1 10 . 1 1 94 94 GLU H H 91 7.880 7.880 8.307 -0.427 18318
4225 1 10 . 1 1 95 95 GLN N N 92 115.500 115.500 117.893 -2.393 18318
4226 1 10 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.082 0.208 18318
4227 1 10 . 1 1 95 95 GLN C C 92 176.600 176.600 175.945 0.655 18318
4228 1 10 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.200 -1.900 18318
4229 1 10 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.241 -0.341 18318
4230 1 10 . 1 1 95 95 GLN H H 92 7.450 7.450 8.070 -0.620 18318
4231 1 11 . 1 1 15 15 CYS N N 12 117.500 117.500 121.442 -3.942 18318
4232 1 11 . 1 1 15 15 CYS C C 12 175.500 175.500 173.386 2.114 18318
4233 1 11 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.921 -5.221 18318
4234 1 11 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.067 6.633 18318
4235 1 11 . 1 1 15 15 CYS H H 12 8.280 8.280 8.162 0.118 18318
4236 1 11 . 1 1 16 16 GLY N N 13 108.700 108.700 109.246 -0.546 18318
4237 1 11 . 1 1 16 16 GLY C C 13 176.600 176.600 175.498 1.102 18318
4238 1 11 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.964 1.936 18318
4239 1 11 . 1 1 16 16 GLY H H 13 8.080 8.080 8.762 -0.682 18318
4240 1 11 . 1 1 17 17 ARG N N 14 123.300 123.300 122.786 0.514 18318
4241 1 11 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.259 -0.299 18318
4242 1 11 . 1 1 17 17 ARG C C 14 179.300 179.300 177.454 1.846 18318
4243 1 11 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.203 0.997 18318
4244 1 11 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.832 0.268 18318
4245 1 11 . 1 1 17 17 ARG H H 14 8.630 8.630 8.722 -0.092 18318
4246 1 11 . 1 1 18 18 GLU N N 15 121.900 121.900 119.344 2.556 18318
4247 1 11 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.167 0.003 18318
4248 1 11 . 1 1 18 18 GLU C C 15 177.900 177.900 178.468 -0.568 18318
4249 1 11 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.883 2.217 18318
4250 1 11 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.510 -0.310 18318
4251 1 11 . 1 1 18 18 GLU H H 15 9.670 9.670 8.351 1.319 18318
4252 1 11 . 1 1 19 19 LEU N N 16 119.400 119.400 120.425 -1.025 18318
4253 1 11 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.925 2.975 18318
4254 1 11 . 1 1 19 19 LEU H H 16 8.090 8.090 8.129 -0.039 18318
4255 1 11 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.947 -0.267 18318
4256 1 11 . 1 1 20 20 GLU C C 17 177.200 177.200 179.349 -2.149 18318
4257 1 11 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.634 -0.334 18318
4258 1 11 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.631 -0.631 18318
4259 1 11 . 1 1 21 21 GLN N N 18 118.500 118.500 118.632 -0.132 18318
4260 1 11 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.139 -0.099 18318
4261 1 11 . 1 1 21 21 GLN C C 18 177.200 177.200 178.112 -0.912 18318
4262 1 11 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.425 0.575 18318
4263 1 11 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.612 0.088 18318
4264 1 11 . 1 1 21 21 GLN H H 18 8.560 8.560 8.626 -0.066 18318
4265 1 11 . 1 1 22 22 TYR N N 19 120.700 120.700 120.559 0.141 18318
4266 1 11 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.314 -0.034 18318
4267 1 11 . 1 1 22 22 TYR C C 19 176.600 176.600 178.037 -1.437 18318
4268 1 11 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.609 1.491 18318
4269 1 11 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.111 0.789 18318
4270 1 11 . 1 1 22 22 TYR H H 19 8.120 8.120 7.929 0.191 18318
4271 1 11 . 1 1 23 23 GLY N N 20 105.600 105.600 105.338 0.262 18318
4272 1 11 . 1 1 23 23 GLY C C 20 176.700 176.700 176.110 0.590 18318
4273 1 11 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.575 0.525 18318
4274 1 11 . 1 1 23 23 GLY H H 20 8.390 8.390 7.893 0.497 18318
4275 1 11 . 1 1 24 24 GLN N N 21 120.300 120.300 120.882 -0.582 18318
4276 1 11 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.380 -0.330 18318
4277 1 11 . 1 1 24 24 GLN C C 21 178.000 178.000 178.316 -0.316 18318
4278 1 11 . 1 1 24 24 GLN CA C 21 58.600 58.600 57.842 0.758 18318
4279 1 11 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.816 -1.216 18318
4280 1 11 . 1 1 24 24 GLN H H 21 8.130 8.130 7.672 0.458 18318
4281 1 11 . 1 1 25 25 CYS N N 22 121.500 121.500 118.907 2.593 18318
4282 1 11 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.664 -0.384 18318
4283 1 11 . 1 1 25 25 CYS C C 22 175.400 175.400 177.084 -1.684 18318
4284 1 11 . 1 1 25 25 CYS CA C 22 60.600 60.600 61.717 -1.117 18318
4285 1 11 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.432 12.468 18318
4286 1 11 . 1 1 25 25 CYS H H 22 7.610 7.610 8.300 -0.690 18318
4287 1 11 . 1 1 26 26 VAL N N 23 119.900 119.900 120.256 -0.356 18318
4288 1 11 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.900 -0.110 18318
4289 1 11 . 1 1 26 26 VAL C C 23 177.100 177.100 177.351 -0.251 18318
4290 1 11 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.663 0.237 18318
4291 1 11 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.523 -2.223 18318
4292 1 11 . 1 1 26 26 VAL H H 23 8.040 8.040 7.482 0.558 18318
4293 1 11 . 1 1 27 27 ALA N N 24 117.400 117.400 120.691 -3.291 18318
4294 1 11 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.003 0.097 18318
4295 1 11 . 1 1 27 27 ALA C C 24 178.600 178.600 178.844 -0.244 18318
4296 1 11 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.544 -0.444 18318
4297 1 11 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.593 -0.693 18318
4298 1 11 . 1 1 27 27 ALA H H 24 7.430 7.430 7.502 -0.072 18318
4299 1 11 . 1 1 28 28 ALA N N 25 116.100 116.100 120.847 -4.747 18318
4300 1 11 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.098 0.232 18318
4301 1 11 . 1 1 28 28 ALA C C 25 178.100 178.100 177.664 0.436 18318
4302 1 11 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.795 -1.195 18318
4303 1 11 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.483 -0.383 18318
4304 1 11 . 1 1 28 28 ALA H H 25 7.120 7.120 7.705 -0.585 18318
4305 1 11 . 1 1 29 29 LYS N N 26 119.200 119.200 113.253 5.947 18318
4306 1 11 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.000 5.700 18318
4307 1 11 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.170 -1.070 18318
4308 1 11 . 1 1 29 29 LYS H H 26 7.560 7.560 7.557 0.003 18318
4309 1 11 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.232 -0.022 18318
4310 1 11 . 1 1 30 30 PRO C C 27 177.000 177.000 178.421 -1.421 18318
4311 1 11 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.551 0.349 18318
4312 1 11 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.023 -0.422 18318
4313 1 11 . 1 1 31 31 GLU N N 28 114.600 114.600 117.910 -3.310 18318
4314 1 11 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.306 0.144 18318
4315 1 11 . 1 1 31 31 GLU C C 28 176.100 176.100 178.367 -2.267 18318
4316 1 11 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.403 -1.203 18318
4317 1 11 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.425 1.175 18318
4318 1 11 . 1 1 31 31 GLU H H 28 8.770 8.770 8.758 0.012 18318
4319 1 11 . 1 1 32 32 SER N N 29 111.000 111.000 115.757 -4.757 18318
4320 1 11 . 1 1 32 32 SER HA H 29 4.510 4.510 4.282 0.228 18318
4321 1 11 . 1 1 32 32 SER C C 29 176.600 176.600 175.674 0.926 18318
4322 1 11 . 1 1 32 32 SER CA C 29 58.500 58.500 60.628 -2.128 18318
4323 1 11 . 1 1 32 32 SER CB C 29 63.800 63.800 62.578 1.222 18318
4324 1 11 . 1 1 32 32 SER H H 29 7.750 7.750 8.366 -0.616 18318
4325 1 11 . 1 1 33 33 TRP N N 30 125.000 125.000 124.164 0.836 18318
4326 1 11 . 1 1 33 33 TRP C C 30 177.200 177.200 177.962 -0.762 18318
4327 1 11 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.600 -0.600 18318
4328 1 11 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.761 0.739 18318
4329 1 11 . 1 1 33 33 TRP H H 30 7.820 7.820 7.596 0.224 18318
4330 1 11 . 1 1 34 34 GLN N N 31 123.600 123.600 116.464 7.136 18318
4331 1 11 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.786 0.664 18318
4332 1 11 . 1 1 34 34 GLN C C 31 176.800 176.800 177.366 -0.566 18318
4333 1 11 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.254 2.646 18318
4334 1 11 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.418 -1.918 18318
4335 1 11 . 1 1 34 34 GLN H H 31 8.240 8.240 7.469 0.771 18318
4336 1 11 . 1 1 35 35 ARG N N 32 115.900 115.900 119.257 -3.357 18318
4337 1 11 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.110 0.170 18318
4338 1 11 . 1 1 35 35 ARG C C 32 178.900 178.900 177.833 1.067 18318
4339 1 11 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.856 -1.456 18318
4340 1 11 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.575 0.725 18318
4341 1 11 . 1 1 35 35 ARG H H 32 7.450 7.450 7.518 -0.068 18318
4342 1 11 . 1 1 36 36 ASP N N 33 117.700 117.700 118.896 -1.196 18318
4343 1 11 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.572 -0.432 18318
4344 1 11 . 1 1 36 36 ASP C C 33 177.600 177.600 177.104 0.496 18318
4345 1 11 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.511 0.689 18318
4346 1 11 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.216 -0.316 18318
4347 1 11 . 1 1 36 36 ASP H H 33 8.760 8.760 8.401 0.359 18318
4348 1 11 . 1 1 37 37 CYS N N 34 113.300 113.300 116.604 -3.304 18318
4349 1 11 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.826 0.574 18318
4350 1 11 . 1 1 37 37 CYS C C 34 175.800 175.800 174.588 1.212 18318
4351 1 11 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.877 -3.777 18318
4352 1 11 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.965 13.535 18318
4353 1 11 . 1 1 37 37 CYS H H 34 8.260 8.260 7.787 0.473 18318
4354 1 11 . 1 1 38 38 HIS N N 35 124.200 124.200 125.745 -1.545 18318
4355 1 11 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.401 -0.051 18318
4356 1 11 . 1 1 38 38 HIS C C 35 177.400 177.400 175.939 1.461 18318
4357 1 11 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.442 1.558 18318
4358 1 11 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.846 -0.246 18318
4359 1 11 . 1 1 38 38 HIS H H 35 7.520 7.520 8.560 -1.040 18318
4360 1 11 . 1 1 39 39 TYR N N 36 117.100 117.100 120.577 -3.477 18318
4361 1 11 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.304 -0.004 18318
4362 1 11 . 1 1 39 39 TYR C C 36 177.700 177.700 178.245 -0.545 18318
4363 1 11 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.737 -1.137 18318
4364 1 11 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.961 -1.761 18318
4365 1 11 . 1 1 39 39 TYR H H 36 8.930 8.930 8.541 0.389 18318
4366 1 11 . 1 1 40 40 LEU N N 37 122.000 122.000 118.772 3.228 18318
4367 1 11 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.987 0.183 18318
4368 1 11 . 1 1 40 40 LEU C C 37 179.400 179.400 179.032 0.368 18318
4369 1 11 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.985 -1.485 18318
4370 1 11 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.126 1.274 18318
4371 1 11 . 1 1 40 40 LEU H H 37 6.940 6.940 8.401 -1.461 18318
4372 1 11 . 1 1 41 41 LYS N N 38 125.300 125.300 118.361 6.939 18318
4373 1 11 . 1 1 41 41 LYS C C 38 179.600 179.600 177.893 1.707 18318
4374 1 11 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.917 0.683 18318
4375 1 11 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.764 -0.764 18318
4376 1 11 . 1 1 41 41 LYS H H 38 7.880 7.880 7.787 0.093 18318
4377 1 11 . 1 1 42 42 MET N N 39 117.600 117.600 117.327 0.273 18318
4378 1 11 . 1 1 42 42 MET HA H 39 4.120 4.120 4.346 -0.227 18318
4379 1 11 . 1 1 42 42 MET C C 39 178.900 178.900 178.001 0.899 18318
4380 1 11 . 1 1 42 42 MET CA C 39 57.200 57.200 57.979 -0.779 18318
4381 1 11 . 1 1 42 42 MET CB C 39 30.000 30.000 33.183 -3.183 18318
4382 1 11 . 1 1 42 42 MET H H 39 8.090 8.090 7.595 0.495 18318
4383 1 11 . 1 1 43 43 SER N N 40 115.900 115.900 116.051 -0.151 18318
4384 1 11 . 1 1 43 43 SER HA H 40 4.290 4.290 4.389 -0.099 18318
4385 1 11 . 1 1 43 43 SER C C 40 177.400 177.400 176.684 0.716 18318
4386 1 11 . 1 1 43 43 SER CA C 40 61.700 61.700 61.371 0.329 18318
4387 1 11 . 1 1 43 43 SER CB C 40 62.500 62.500 63.413 -0.913 18318
4388 1 11 . 1 1 43 43 SER H H 40 7.600 7.600 8.237 -0.637 18318
4389 1 11 . 1 1 44 44 ILE N N 41 121.900 121.900 117.988 3.912 18318
4390 1 11 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.091 -0.551 18318
4391 1 11 . 1 1 44 44 ILE C C 41 177.500 177.500 176.920 0.580 18318
4392 1 11 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.202 2.898 18318
4393 1 11 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.443 0.457 18318
4394 1 11 . 1 1 44 44 ILE H H 41 7.540 7.540 8.308 -0.768 18318
4395 1 11 . 1 1 45 45 ALA N N 42 122.600 122.600 123.351 -0.751 18318
4396 1 11 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.124 0.056 18318
4397 1 11 . 1 1 45 45 ALA C C 42 180.200 180.200 179.529 0.671 18318
4398 1 11 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.810 -0.010 18318
4399 1 11 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.790 -1.490 18318
4400 1 11 . 1 1 45 45 ALA H H 42 7.420 7.420 7.731 -0.311 18318
4401 1 11 . 1 1 46 46 GLN N N 43 118.400 118.400 116.078 2.322 18318
4402 1 11 . 1 1 46 46 GLN HA H 43 3.970 3.970 3.985 -0.015 18318
4403 1 11 . 1 1 46 46 GLN C C 43 178.500 178.500 176.951 1.549 18318
4404 1 11 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.312 0.388 18318
4405 1 11 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.299 -0.499 18318
4406 1 11 . 1 1 46 46 GLN H H 43 8.290 8.290 7.829 0.461 18318
4407 1 11 . 1 1 47 47 CYS N N 44 119.500 119.500 118.656 0.844 18318
4408 1 11 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.268 -0.178 18318
4409 1 11 . 1 1 47 47 CYS C C 44 176.500 176.500 177.017 -0.517 18318
4410 1 11 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.475 -1.175 18318
4411 1 11 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.519 12.381 18318
4412 1 11 . 1 1 47 47 CYS H H 44 7.590 7.590 7.881 -0.291 18318
4413 1 11 . 1 1 48 48 THR N N 45 113.000 113.000 112.076 0.924 18318
4414 1 11 . 1 1 48 48 THR C C 45 175.900 175.900 176.589 -0.689 18318
4415 1 11 . 1 1 48 48 THR CA C 45 65.400 65.400 64.764 0.636 18318
4416 1 11 . 1 1 48 48 THR CB C 45 68.800 68.800 68.507 0.293 18318
4417 1 11 . 1 1 48 48 THR H H 45 8.810 8.810 7.643 1.167 18318
4418 1 11 . 1 1 49 49 SER N N 46 113.200 113.200 116.638 -3.438 18318
4419 1 11 . 1 1 49 49 SER HA H 46 4.380 4.380 4.570 -0.190 18318
4420 1 11 . 1 1 49 49 SER C C 46 175.600 175.600 174.946 0.654 18318
4421 1 11 . 1 1 49 49 SER CA C 46 60.000 60.000 57.937 2.063 18318
4422 1 11 . 1 1 49 49 SER CB C 46 63.900 63.900 62.591 1.309 18318
4423 1 11 . 1 1 49 49 SER H H 46 7.890 7.890 7.993 -0.103 18318
4424 1 11 . 1 1 50 50 SER N N 47 114.100 114.100 116.596 -2.496 18318
4425 1 11 . 1 1 50 50 SER HA H 47 4.390 4.390 4.374 0.016 18318
4426 1 11 . 1 1 50 50 SER CA C 47 59.100 59.100 60.653 -1.553 18318
4427 1 11 . 1 1 50 50 SER CB C 47 64.800 64.800 63.834 0.966 18318
4428 1 11 . 1 1 50 50 SER H H 47 7.770 7.770 7.530 0.240 18318
4429 1 11 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.134 0.456 18318
4430 1 11 . 1 1 55 55 ARG C C 52 178.500 178.500 177.740 0.760 18318
4431 1 11 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.770 1.230 18318
4432 1 11 . 1 1 56 56 GLN N N 53 117.700 117.700 120.068 -2.368 18318
4433 1 11 . 1 1 56 56 GLN C C 53 175.000 175.000 178.591 -3.591 18318
4434 1 11 . 1 1 56 56 GLN CA C 53 60.200 60.200 60.062 0.138 18318
4435 1 11 . 1 1 56 56 GLN H H 53 8.110 8.110 8.704 -0.594 18318
4436 1 11 . 1 1 57 57 ILE N N 54 121.200 121.200 113.034 8.166 18318
4437 1 11 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.913 -0.593 18318
4438 1 11 . 1 1 57 57 ILE C C 54 178.700 178.700 177.147 1.553 18318
4439 1 11 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.477 2.523 18318
4440 1 11 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.295 0.405 18318
4441 1 11 . 1 1 57 57 ILE H H 54 7.820 7.820 7.896 -0.076 18318
4442 1 11 . 1 1 58 58 ARG N N 55 118.900 118.900 120.225 -1.325 18318
4443 1 11 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.135 0.175 18318
4444 1 11 . 1 1 58 58 ARG C C 55 178.600 178.600 178.987 -0.387 18318
4445 1 11 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.370 0.530 18318
4446 1 11 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.428 1.072 18318
4447 1 11 . 1 1 58 58 ARG H H 55 8.250 8.250 7.696 0.554 18318
4448 1 11 . 1 1 59 59 GLN N N 56 115.800 115.800 119.823 -4.023 18318
4449 1 11 . 1 1 59 59 GLN C C 56 178.100 178.100 177.111 0.989 18318
4450 1 11 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.581 -0.582 18318
4451 1 11 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.857 -0.057 18318
4452 1 11 . 1 1 59 59 GLN H H 56 7.920 7.920 8.031 -0.111 18318
4453 1 11 . 1 1 60 60 ALA N N 57 121.600 121.600 119.506 2.094 18318
4454 1 11 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.494 -0.314 18318
4455 1 11 . 1 1 60 60 ALA C C 57 179.600 179.600 176.920 2.680 18318
4456 1 11 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.749 2.751 18318
4457 1 11 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.561 0.339 18318
4458 1 11 . 1 1 60 60 ALA H H 57 8.490 8.490 7.505 0.985 18318
4459 1 11 . 1 1 61 61 CYS N N 58 114.000 114.000 118.312 -4.312 18318
4460 1 11 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.754 0.376 18318
4461 1 11 . 1 1 61 61 CYS C C 58 175.000 175.000 175.276 -0.276 18318
4462 1 11 . 1 1 61 61 CYS CA C 58 52.700 52.700 57.310 -4.610 18318
4463 1 11 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.345 13.455 18318
4464 1 11 . 1 1 61 61 CYS H H 58 8.370 8.370 7.592 0.778 18318
4465 1 11 . 1 1 62 62 ALA N N 59 124.900 124.900 124.802 0.098 18318
4466 1 11 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.235 0.035 18318
4467 1 11 . 1 1 62 62 ALA C C 59 179.200 179.200 179.135 0.065 18318
4468 1 11 . 1 1 62 62 ALA CA C 59 56.500 56.500 55.338 1.162 18318
4469 1 11 . 1 1 62 62 ALA CB C 59 18.800 18.800 18.961 -0.161 18318
4470 1 11 . 1 1 62 62 ALA H H 59 7.200 7.200 7.849 -0.649 18318
4471 1 11 . 1 1 63 63 GLN N N 60 115.800 115.800 118.551 -2.751 18318
4472 1 11 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.127 0.353 18318
4473 1 11 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.327 -0.127 18318
4474 1 11 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.723 -2.023 18318
4475 1 11 . 1 1 63 63 GLN H H 60 9.040 9.040 8.779 0.261 18318
4476 1 11 . 1 1 64 64 PRO C C 61 179.700 179.700 178.039 1.661 18318
4477 1 11 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.041 0.559 18318
4478 1 11 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.160 -0.360 18318
4479 1 11 . 1 1 65 65 PHE N N 62 120.500 120.500 118.886 1.614 18318
4480 1 11 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.459 -0.179 18318
4481 1 11 . 1 1 65 65 PHE C C 62 176.400 176.400 177.582 -1.182 18318
4482 1 11 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.232 2.168 18318
4483 1 11 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.269 -0.669 18318
4484 1 11 . 1 1 65 65 PHE H H 62 8.500 8.500 7.277 1.223 18318
4485 1 11 . 1 1 66 66 GLU N N 63 120.200 120.200 120.478 -0.278 18318
4486 1 11 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.131 -0.101 18318
4487 1 11 . 1 1 66 66 GLU C C 63 179.300 179.300 178.726 0.574 18318
4488 1 11 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.314 -0.114 18318
4489 1 11 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.957 -1.457 18318
4490 1 11 . 1 1 66 66 GLU H H 63 8.900 8.900 8.231 0.669 18318
4491 1 11 . 1 1 67 67 ALA N N 64 120.600 120.600 122.050 -1.450 18318
4492 1 11 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.044 -0.174 18318
4493 1 11 . 1 1 67 67 ALA C C 64 180.500 180.500 179.192 1.308 18318
4494 1 11 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.333 -0.633 18318
4495 1 11 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.387 -0.286 18318
4496 1 11 . 1 1 67 67 ALA H H 64 8.150 8.150 7.618 0.532 18318
4497 1 11 . 1 1 68 68 PHE N N 65 120.000 120.000 118.938 1.062 18318
4498 1 11 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.110 0.210 18318
4499 1 11 . 1 1 68 68 PHE C C 65 175.400 175.400 177.129 -1.729 18318
4500 1 11 . 1 1 68 68 PHE CA C 65 59.800 59.800 61.033 -1.233 18318
4501 1 11 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.822 -0.822 18318
4502 1 11 . 1 1 68 68 PHE H H 65 7.810 7.810 7.859 -0.049 18318
4503 1 11 . 1 1 69 69 GLU N N 66 119.400 119.400 117.894 1.506 18318
4504 1 11 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.288 0.882 18318
4505 1 11 . 1 1 69 69 GLU C C 66 178.800 178.800 178.522 0.278 18318
4506 1 11 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.461 1.739 18318
4507 1 11 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.259 -0.159 18318
4508 1 11 . 1 1 69 69 GLU H H 66 8.330 8.330 7.807 0.523 18318
4509 1 11 . 1 1 70 70 GLU N N 67 118.600 118.600 120.187 -1.587 18318
4510 1 11 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.134 -0.164 18318
4511 1 11 . 1 1 70 70 GLU C C 67 177.700 177.700 178.379 -0.679 18318
4512 1 11 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.979 -0.179 18318
4513 1 11 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.510 -0.810 18318
4514 1 11 . 1 1 70 70 GLU H H 67 8.240 8.240 7.343 0.897 18318
4515 1 11 . 1 1 71 71 CYS N N 68 119.100 119.100 118.981 0.119 18318
4516 1 11 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.169 -0.089 18318
4517 1 11 . 1 1 71 71 CYS C C 68 177.900 177.900 177.242 0.658 18318
4518 1 11 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.925 -3.325 18318
4519 1 11 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.534 12.466 18318
4520 1 11 . 1 1 71 71 CYS H H 68 7.580 7.580 7.999 -0.419 18318
4521 1 11 . 1 1 72 72 LEU N N 69 122.000 122.000 117.819 4.181 18318
4522 1 11 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.130 -0.430 18318
4523 1 11 . 1 1 72 72 LEU C C 69 179.300 179.300 179.204 0.096 18318
4524 1 11 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.914 0.686 18318
4525 1 11 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.061 -0.061 18318
4526 1 11 . 1 1 72 72 LEU H H 69 8.090 8.090 7.507 0.583 18318
4527 1 11 . 1 1 73 73 ARG N N 70 117.400 117.400 116.745 0.655 18318
4528 1 11 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.968 0.042 18318
4529 1 11 . 1 1 73 73 ARG C C 70 178.500 178.500 177.789 0.711 18318
4530 1 11 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.665 0.035 18318
4531 1 11 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.688 0.412 18318
4532 1 11 . 1 1 73 73 ARG H H 70 7.600 7.600 7.565 0.035 18318
4533 1 11 . 1 1 74 74 GLN N N 71 115.800 115.800 116.106 -0.306 18318
4534 1 11 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.380 -0.090 18318
4535 1 11 . 1 1 74 74 GLN C C 71 176.200 176.200 176.357 -0.157 18318
4536 1 11 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.536 -0.136 18318
4537 1 11 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.910 -1.710 18318
4538 1 11 . 1 1 74 74 GLN H H 71 7.580 7.580 7.564 0.016 18318
4539 1 11 . 1 1 75 75 ASN N N 72 118.600 118.600 119.035 -0.435 18318
4540 1 11 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.044 -0.054 18318
4541 1 11 . 1 1 75 75 ASN C C 72 174.800 174.800 174.728 0.072 18318
4542 1 11 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.549 0.451 18318
4543 1 11 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.275 0.525 18318
4544 1 11 . 1 1 75 75 ASN H H 72 7.750 7.750 8.102 -0.352 18318
4545 1 11 . 1 1 76 76 GLU N N 73 120.200 120.200 120.594 -0.394 18318
4546 1 11 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.904 0.056 18318
4547 1 11 . 1 1 76 76 GLU C C 73 176.800 176.800 177.612 -0.812 18318
4548 1 11 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.156 0.044 18318
4549 1 11 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.323 -0.223 18318
4550 1 11 . 1 1 76 76 GLU H H 73 7.950 7.950 7.914 0.036 18318
4551 1 11 . 1 1 77 77 ALA N N 74 119.200 119.200 121.029 -1.829 18318
4552 1 11 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.506 -0.146 18318
4553 1 11 . 1 1 77 77 ALA C C 74 175.400 175.400 177.395 -1.995 18318
4554 1 11 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.587 -0.487 18318
4555 1 11 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.481 -0.281 18318
4556 1 11 . 1 1 77 77 ALA H H 74 8.320 8.320 8.252 0.068 18318
4557 1 11 . 1 1 78 78 ALA N N 75 124.400 124.400 120.811 3.589 18318
4558 1 11 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.549 -0.169 18318
4559 1 11 . 1 1 78 78 ALA C C 75 177.200 177.200 178.599 -1.399 18318
4560 1 11 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.499 -0.099 18318
4561 1 11 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.784 0.216 18318
4562 1 11 . 1 1 78 78 ALA H H 75 7.900 7.900 7.920 -0.020 18318
4563 1 11 . 1 1 79 79 VAL N N 76 118.400 118.400 118.526 -0.126 18318
4564 1 11 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.847 -0.057 18318
4565 1 11 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.618 0.482 18318
4566 1 11 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.486 -0.186 18318
4567 1 11 . 1 1 79 79 VAL H H 76 8.100 8.100 7.999 0.101 18318
4568 1 11 . 1 1 80 80 GLY C C 77 175.900 175.900 175.142 0.758 18318
4569 1 11 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.797 -0.397 18318
4570 1 11 . 1 1 81 81 ASN N N 78 119.300 119.300 118.650 0.650 18318
4571 1 11 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.763 -0.163 18318
4572 1 11 . 1 1 81 81 ASN C C 78 176.700 176.700 174.996 1.704 18318
4573 1 11 . 1 1 81 81 ASN CA C 78 54.500 54.500 55.015 -0.515 18318
4574 1 11 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.957 -2.657 18318
4575 1 11 . 1 1 81 81 ASN H H 78 8.200 8.200 7.950 0.250 18318
4576 1 11 . 1 1 82 82 CYS N N 79 117.200 117.200 115.965 1.235 18318
4577 1 11 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.848 0.552 18318
4578 1 11 . 1 1 82 82 CYS C C 79 175.800 175.800 173.122 2.678 18318
4579 1 11 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.735 -2.235 18318
4580 1 11 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.317 8.983 18318
4581 1 11 . 1 1 82 82 CYS H H 79 8.330 8.330 7.710 0.620 18318
4582 1 11 . 1 1 83 83 ALA N N 80 125.000 125.000 124.919 0.081 18318
4583 1 11 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.605 -0.455 18318
4584 1 11 . 1 1 83 83 ALA C C 80 179.900 179.900 178.047 1.853 18318
4585 1 11 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.760 4.440 18318
4586 1 11 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.225 -2.025 18318
4587 1 11 . 1 1 83 83 ALA H H 80 7.700 7.700 8.375 -0.675 18318
4588 1 11 . 1 1 84 84 GLU N N 81 118.900 118.900 124.370 -5.470 18318
4589 1 11 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.313 -0.363 18318
4590 1 11 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.315 -0.315 18318
4591 1 11 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.609 -0.709 18318
4592 1 11 . 1 1 84 84 GLU H H 81 8.920 8.920 9.010 -0.090 18318
4593 1 11 . 1 1 85 85 HIS C C 82 178.500 178.500 177.602 0.898 18318
4594 1 11 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.812 -2.712 18318
4595 1 11 . 1 1 86 86 MET N N 83 118.800 118.800 118.415 0.385 18318
4596 1 11 . 1 1 86 86 MET C C 83 177.200 177.200 178.433 -1.233 18318
4597 1 11 . 1 1 86 86 MET CA C 83 58.900 58.900 58.517 0.383 18318
4598 1 11 . 1 1 86 86 MET CB C 83 31.300 31.300 32.286 -0.986 18318
4599 1 11 . 1 1 86 86 MET H H 83 7.460 7.460 8.668 -1.208 18318
4600 1 11 . 1 1 87 87 ARG N N 84 119.500 119.500 118.754 0.746 18318
4601 1 11 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.213 -0.303 18318
4602 1 11 . 1 1 87 87 ARG C C 84 178.600 178.600 178.470 0.130 18318
4603 1 11 . 1 1 87 87 ARG CA C 84 59.900 59.900 59.050 0.851 18318
4604 1 11 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.678 -0.178 18318
4605 1 11 . 1 1 87 87 ARG H H 84 8.220 8.220 7.878 0.342 18318
4606 1 11 . 1 1 88 88 ARG N N 85 117.900 117.900 119.782 -1.882 18318
4607 1 11 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.040 -0.120 18318
4608 1 11 . 1 1 88 88 ARG C C 85 179.700 179.700 178.957 0.743 18318
4609 1 11 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.059 0.441 18318
4610 1 11 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.643 0.357 18318
4611 1 11 . 1 1 88 88 ARG H H 85 8.100 8.100 7.585 0.515 18318
4612 1 11 . 1 1 89 89 PHE N N 86 119.700 119.700 120.227 -0.527 18318
4613 1 11 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.213 0.137 18318
4614 1 11 . 1 1 89 89 PHE C C 86 175.600 175.600 176.751 -1.151 18318
4615 1 11 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.872 0.228 18318
4616 1 11 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.651 -1.851 18318
4617 1 11 . 1 1 89 89 PHE H H 86 7.930 7.930 8.381 -0.451 18318
4618 1 11 . 1 1 90 90 LEU N N 87 120.400 120.400 119.519 0.881 18318
4619 1 11 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.727 -0.017 18318
4620 1 11 . 1 1 90 90 LEU C C 87 179.200 179.200 179.071 0.129 18318
4621 1 11 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.967 -0.267 18318
4622 1 11 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.520 -1.220 18318
4623 1 11 . 1 1 90 90 LEU H H 87 8.640 8.640 7.867 0.773 18318
4624 1 11 . 1 1 91 91 GLN N N 88 118.200 118.200 117.894 0.306 18318
4625 1 11 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.010 0.030 18318
4626 1 11 . 1 1 91 91 GLN C C 88 178.000 178.000 178.340 -0.340 18318
4627 1 11 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.343 -0.643 18318
4628 1 11 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.417 -0.417 18318
4629 1 11 . 1 1 91 91 GLN H H 88 8.380 8.380 8.509 -0.129 18318
4630 1 11 . 1 1 92 92 CYS N N 89 119.000 119.000 117.473 1.527 18318
4631 1 11 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.142 -0.092 18318
4632 1 11 . 1 1 92 92 CYS C C 89 176.600 176.600 176.902 -0.302 18318
4633 1 11 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.959 -0.859 18318
4634 1 11 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.308 14.192 18318
4635 1 11 . 1 1 92 92 CYS H H 89 7.390 7.390 7.691 -0.301 18318
4636 1 11 . 1 1 93 93 ALA N N 90 122.900 122.900 123.675 -0.775 18318
4637 1 11 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.907 0.003 18318
4638 1 11 . 1 1 93 93 ALA C C 90 179.200 179.200 179.635 -0.435 18318
4639 1 11 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.495 0.205 18318
4640 1 11 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.053 -0.253 18318
4641 1 11 . 1 1 93 93 ALA H H 90 8.410 8.410 7.538 0.872 18318
4642 1 11 . 1 1 94 94 GLU N N 91 115.800 115.800 118.506 -2.706 18318
4643 1 11 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.163 -0.013 18318
4644 1 11 . 1 1 94 94 GLU C C 91 177.400 177.400 178.144 -0.744 18318
4645 1 11 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.230 -0.330 18318
4646 1 11 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.771 -0.371 18318
4647 1 11 . 1 1 94 94 GLU H H 91 7.880 7.880 7.991 -0.111 18318
4648 1 11 . 1 1 95 95 GLN N N 92 115.500 115.500 117.447 -1.947 18318
4649 1 11 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.111 0.179 18318
4650 1 11 . 1 1 95 95 GLN C C 92 176.600 176.600 176.641 -0.041 18318
4651 1 11 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.325 -1.025 18318
4652 1 11 . 1 1 95 95 GLN CB C 92 28.900 28.900 28.905 -0.005 18318
4653 1 11 . 1 1 95 95 GLN H H 92 7.450 7.450 7.771 -0.321 18318
4654 1 12 . 1 1 15 15 CYS N N 12 117.500 117.500 119.539 -2.039 18318
4655 1 12 . 1 1 15 15 CYS C C 12 175.500 175.500 175.513 -0.013 18318
4656 1 12 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.260 -4.560 18318
4657 1 12 . 1 1 15 15 CYS CB C 12 36.700 36.700 31.077 5.623 18318
4658 1 12 . 1 1 15 15 CYS H H 12 8.280 8.280 8.654 -0.374 18318
4659 1 12 . 1 1 16 16 GLY N N 13 108.700 108.700 108.361 0.339 18318
4660 1 12 . 1 1 16 16 GLY C C 13 176.600 176.600 175.112 1.488 18318
4661 1 12 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.622 2.278 18318
4662 1 12 . 1 1 16 16 GLY H H 13 8.080 8.080 8.901 -0.821 18318
4663 1 12 . 1 1 17 17 ARG N N 14 123.300 123.300 120.496 2.804 18318
4664 1 12 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.286 -0.326 18318
4665 1 12 . 1 1 17 17 ARG C C 14 179.300 179.300 177.666 1.634 18318
4666 1 12 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.394 0.806 18318
4667 1 12 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.724 0.376 18318
4668 1 12 . 1 1 17 17 ARG H H 14 8.630 8.630 8.587 0.043 18318
4669 1 12 . 1 1 18 18 GLU N N 15 121.900 121.900 120.108 1.792 18318
4670 1 12 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.167 0.003 18318
4671 1 12 . 1 1 18 18 GLU C C 15 177.900 177.900 178.106 -0.206 18318
4672 1 12 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.497 2.603 18318
4673 1 12 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.661 -0.461 18318
4674 1 12 . 1 1 18 18 GLU H H 15 9.670 9.670 8.511 1.159 18318
4675 1 12 . 1 1 19 19 LEU N N 16 119.400 119.400 120.566 -1.166 18318
4676 1 12 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.014 2.886 18318
4677 1 12 . 1 1 19 19 LEU H H 16 8.090 8.090 7.775 0.315 18318
4678 1 12 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.021 -0.341 18318
4679 1 12 . 1 1 20 20 GLU C C 17 177.200 177.200 179.559 -2.359 18318
4680 1 12 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.661 -0.361 18318
4681 1 12 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.535 -0.535 18318
4682 1 12 . 1 1 21 21 GLN N N 18 118.500 118.500 118.286 0.214 18318
4683 1 12 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.289 -0.249 18318
4684 1 12 . 1 1 21 21 GLN C C 18 177.200 177.200 178.251 -1.051 18318
4685 1 12 . 1 1 21 21 GLN CA C 18 59.000 59.000 57.849 1.151 18318
4686 1 12 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.949 -0.249 18318
4687 1 12 . 1 1 21 21 GLN H H 18 8.560 8.560 8.435 0.125 18318
4688 1 12 . 1 1 22 22 TYR N N 19 120.700 120.700 121.047 -0.347 18318
4689 1 12 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.474 -0.194 18318
4690 1 12 . 1 1 22 22 TYR C C 19 176.600 176.600 177.507 -0.907 18318
4691 1 12 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.438 2.662 18318
4692 1 12 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.189 0.711 18318
4693 1 12 . 1 1 22 22 TYR H H 19 8.120 8.120 8.159 -0.039 18318
4694 1 12 . 1 1 23 23 GLY N N 20 105.600 105.600 107.258 -1.658 18318
4695 1 12 . 1 1 23 23 GLY C C 20 176.700 176.700 175.777 0.923 18318
4696 1 12 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.020 0.079 18318
4697 1 12 . 1 1 23 23 GLY H H 20 8.390 8.390 7.869 0.521 18318
4698 1 12 . 1 1 24 24 GLN N N 21 120.300 120.300 120.309 -0.009 18318
4699 1 12 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.132 -0.082 18318
4700 1 12 . 1 1 24 24 GLN C C 21 178.000 178.000 178.355 -0.355 18318
4701 1 12 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.859 -0.259 18318
4702 1 12 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.685 -1.085 18318
4703 1 12 . 1 1 24 24 GLN H H 21 8.130 8.130 7.941 0.189 18318
4704 1 12 . 1 1 25 25 CYS N N 22 121.500 121.500 119.126 2.374 18318
4705 1 12 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.285 -0.004 18318
4706 1 12 . 1 1 25 25 CYS C C 22 175.400 175.400 176.825 -1.425 18318
4707 1 12 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.186 -2.586 18318
4708 1 12 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.900 13.000 18318
4709 1 12 . 1 1 25 25 CYS H H 22 7.610 7.610 7.656 -0.046 18318
4710 1 12 . 1 1 26 26 VAL N N 23 119.900 119.900 119.881 0.019 18318
4711 1 12 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.169 -0.379 18318
4712 1 12 . 1 1 26 26 VAL C C 23 177.100 177.100 176.859 0.241 18318
4713 1 12 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.147 0.753 18318
4714 1 12 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.032 -2.732 18318
4715 1 12 . 1 1 26 26 VAL H H 23 8.040 8.040 8.002 0.038 18318
4716 1 12 . 1 1 27 27 ALA N N 24 117.400 117.400 121.413 -4.013 18318
4717 1 12 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.097 0.003 18318
4718 1 12 . 1 1 27 27 ALA C C 24 178.600 178.600 178.692 -0.092 18318
4719 1 12 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.483 -0.383 18318
4720 1 12 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.675 -0.775 18318
4721 1 12 . 1 1 27 27 ALA H H 24 7.430 7.430 7.856 -0.426 18318
4722 1 12 . 1 1 28 28 ALA N N 25 116.100 116.100 120.977 -4.877 18318
4723 1 12 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.195 0.135 18318
4724 1 12 . 1 1 28 28 ALA C C 25 178.100 178.100 178.141 -0.041 18318
4725 1 12 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.920 -1.321 18318
4726 1 12 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.573 -0.473 18318
4727 1 12 . 1 1 28 28 ALA H H 25 7.120 7.120 7.580 -0.461 18318
4728 1 12 . 1 1 29 29 LYS N N 26 119.200 119.200 113.814 5.386 18318
4729 1 12 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.917 4.783 18318
4730 1 12 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.762 -2.662 18318
4731 1 12 . 1 1 29 29 LYS H H 26 7.560 7.560 7.501 0.059 18318
4732 1 12 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.370 -0.160 18318
4733 1 12 . 1 1 30 30 PRO C C 27 177.000 177.000 178.436 -1.436 18318
4734 1 12 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.509 0.391 18318
4735 1 12 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.105 -0.505 18318
4736 1 12 . 1 1 31 31 GLU N N 28 114.600 114.600 118.734 -4.134 18318
4737 1 12 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.416 0.034 18318
4738 1 12 . 1 1 31 31 GLU C C 28 176.100 176.100 178.624 -2.524 18318
4739 1 12 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.209 -1.009 18318
4740 1 12 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.871 0.729 18318
4741 1 12 . 1 1 31 31 GLU H H 28 8.770 8.770 8.831 -0.061 18318
4742 1 12 . 1 1 32 32 SER N N 29 111.000 111.000 115.441 -4.441 18318
4743 1 12 . 1 1 32 32 SER HA H 29 4.510 4.510 4.368 0.142 18318
4744 1 12 . 1 1 32 32 SER C C 29 176.600 176.600 175.821 0.779 18318
4745 1 12 . 1 1 32 32 SER CA C 29 58.500 58.500 60.824 -2.324 18318
4746 1 12 . 1 1 32 32 SER CB C 29 63.800 63.800 62.579 1.221 18318
4747 1 12 . 1 1 32 32 SER H H 29 7.750 7.750 8.478 -0.728 18318
4748 1 12 . 1 1 33 33 TRP N N 30 125.000 125.000 124.027 0.973 18318
4749 1 12 . 1 1 33 33 TRP C C 30 177.200 177.200 178.008 -0.808 18318
4750 1 12 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.653 -0.653 18318
4751 1 12 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.012 0.488 18318
4752 1 12 . 1 1 33 33 TRP H H 30 7.820 7.820 7.788 0.032 18318
4753 1 12 . 1 1 34 34 GLN N N 31 123.600 123.600 117.953 5.647 18318
4754 1 12 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.194 0.256 18318
4755 1 12 . 1 1 34 34 GLN C C 31 176.800 176.800 178.633 -1.833 18318
4756 1 12 . 1 1 34 34 GLN CA C 31 59.900 59.900 58.305 1.595 18318
4757 1 12 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.811 -2.312 18318
4758 1 12 . 1 1 34 34 GLN H H 31 8.240 8.240 7.754 0.486 18318
4759 1 12 . 1 1 35 35 ARG N N 32 115.900 115.900 119.675 -3.775 18318
4760 1 12 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.090 0.190 18318
4761 1 12 . 1 1 35 35 ARG C C 32 178.900 178.900 178.416 0.484 18318
4762 1 12 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.420 -2.020 18318
4763 1 12 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.408 0.892 18318
4764 1 12 . 1 1 35 35 ARG H H 32 7.450 7.450 7.575 -0.125 18318
4765 1 12 . 1 1 36 36 ASP N N 33 117.700 117.700 117.952 -0.252 18318
4766 1 12 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.675 -0.535 18318
4767 1 12 . 1 1 36 36 ASP C C 33 177.600 177.600 176.773 0.827 18318
4768 1 12 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.476 0.724 18318
4769 1 12 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.991 -1.091 18318
4770 1 12 . 1 1 36 36 ASP H H 33 8.760 8.760 8.377 0.383 18318
4771 1 12 . 1 1 37 37 CYS N N 34 113.300 113.300 119.408 -6.108 18318
4772 1 12 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.894 0.506 18318
4773 1 12 . 1 1 37 37 CYS C C 34 175.800 175.800 174.831 0.969 18318
4774 1 12 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.835 -4.735 18318
4775 1 12 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.021 13.479 18318
4776 1 12 . 1 1 37 37 CYS H H 34 8.260 8.260 7.834 0.426 18318
4777 1 12 . 1 1 38 38 HIS N N 35 124.200 124.200 124.806 -0.606 18318
4778 1 12 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.533 -0.183 18318
4779 1 12 . 1 1 38 38 HIS C C 35 177.400 177.400 176.274 1.126 18318
4780 1 12 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.589 1.411 18318
4781 1 12 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.812 -0.212 18318
4782 1 12 . 1 1 38 38 HIS H H 35 7.520 7.520 8.461 -0.941 18318
4783 1 12 . 1 1 39 39 TYR N N 36 117.100 117.100 118.555 -1.455 18318
4784 1 12 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.366 -0.066 18318
4785 1 12 . 1 1 39 39 TYR C C 36 177.700 177.700 177.360 0.340 18318
4786 1 12 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.637 -0.037 18318
4787 1 12 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.586 -2.386 18318
4788 1 12 . 1 1 39 39 TYR H H 36 8.930 8.930 8.663 0.267 18318
4789 1 12 . 1 1 40 40 LEU N N 37 122.000 122.000 118.477 3.523 18318
4790 1 12 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.179 -0.009 18318
4791 1 12 . 1 1 40 40 LEU C C 37 179.400 179.400 178.575 0.825 18318
4792 1 12 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.000 -0.500 18318
4793 1 12 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.610 0.790 18318
4794 1 12 . 1 1 40 40 LEU H H 37 6.940 6.940 8.155 -1.215 18318
4795 1 12 . 1 1 41 41 LYS N N 38 125.300 125.300 119.351 5.949 18318
4796 1 12 . 1 1 41 41 LYS C C 38 179.600 179.600 177.701 1.899 18318
4797 1 12 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.314 0.286 18318
4798 1 12 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.750 -0.750 18318
4799 1 12 . 1 1 41 41 LYS H H 38 7.880 7.880 7.740 0.140 18318
4800 1 12 . 1 1 42 42 MET N N 39 117.600 117.600 117.644 -0.044 18318
4801 1 12 . 1 1 42 42 MET HA H 39 4.120 4.120 4.150 -0.030 18318
4802 1 12 . 1 1 42 42 MET C C 39 178.900 178.900 178.147 0.753 18318
4803 1 12 . 1 1 42 42 MET CA C 39 57.200 57.200 57.637 -0.437 18318
4804 1 12 . 1 1 42 42 MET CB C 39 30.000 30.000 31.636 -1.635 18318
4805 1 12 . 1 1 42 42 MET H H 39 8.090 8.090 7.414 0.676 18318
4806 1 12 . 1 1 43 43 SER N N 40 115.900 115.900 116.293 -0.393 18318
4807 1 12 . 1 1 43 43 SER HA H 40 4.290 4.290 4.327 -0.037 18318
4808 1 12 . 1 1 43 43 SER C C 40 177.400 177.400 176.442 0.958 18318
4809 1 12 . 1 1 43 43 SER CA C 40 61.700 61.700 61.639 0.061 18318
4810 1 12 . 1 1 43 43 SER CB C 40 62.500 62.500 63.365 -0.865 18318
4811 1 12 . 1 1 43 43 SER H H 40 7.600 7.600 7.566 0.034 18318
4812 1 12 . 1 1 44 44 ILE N N 41 121.900 121.900 119.215 2.685 18318
4813 1 12 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.010 -0.470 18318
4814 1 12 . 1 1 44 44 ILE C C 41 177.500 177.500 177.226 0.274 18318
4815 1 12 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.510 2.590 18318
4816 1 12 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.430 0.470 18318
4817 1 12 . 1 1 44 44 ILE H H 41 7.540 7.540 7.899 -0.359 18318
4818 1 12 . 1 1 45 45 ALA N N 42 122.600 122.600 123.359 -0.759 18318
4819 1 12 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.091 0.089 18318
4820 1 12 . 1 1 45 45 ALA C C 42 180.200 180.200 179.526 0.674 18318
4821 1 12 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.184 -0.384 18318
4822 1 12 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.647 -1.347 18318
4823 1 12 . 1 1 45 45 ALA H H 42 7.420 7.420 7.902 -0.482 18318
4824 1 12 . 1 1 46 46 GLN N N 43 118.400 118.400 116.739 1.661 18318
4825 1 12 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.100 -0.130 18318
4826 1 12 . 1 1 46 46 GLN C C 43 178.500 178.500 177.574 0.926 18318
4827 1 12 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.912 0.788 18318
4828 1 12 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.247 -0.448 18318
4829 1 12 . 1 1 46 46 GLN H H 43 8.290 8.290 7.916 0.374 18318
4830 1 12 . 1 1 47 47 CYS N N 44 119.500 119.500 118.966 0.534 18318
4831 1 12 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.410 -0.320 18318
4832 1 12 . 1 1 47 47 CYS C C 44 176.500 176.500 177.194 -0.694 18318
4833 1 12 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.061 -1.761 18318
4834 1 12 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.883 13.017 18318
4835 1 12 . 1 1 47 47 CYS H H 44 7.590 7.590 7.912 -0.322 18318
4836 1 12 . 1 1 48 48 THR N N 45 113.000 113.000 114.546 -1.546 18318
4837 1 12 . 1 1 48 48 THR C C 45 175.900 175.900 175.744 0.156 18318
4838 1 12 . 1 1 48 48 THR CA C 45 65.400 65.400 64.825 0.575 18318
4839 1 12 . 1 1 48 48 THR CB C 45 68.800 68.800 68.557 0.243 18318
4840 1 12 . 1 1 48 48 THR H H 45 8.810 8.810 7.853 0.957 18318
4841 1 12 . 1 1 49 49 SER N N 46 113.200 113.200 115.698 -2.498 18318
4842 1 12 . 1 1 49 49 SER HA H 46 4.380 4.380 4.522 -0.142 18318
4843 1 12 . 1 1 49 49 SER C C 46 175.600 175.600 175.123 0.477 18318
4844 1 12 . 1 1 49 49 SER CA C 46 60.000 60.000 57.709 2.291 18318
4845 1 12 . 1 1 49 49 SER CB C 46 63.900 63.900 62.437 1.463 18318
4846 1 12 . 1 1 49 49 SER H H 46 7.890 7.890 7.599 0.291 18318
4847 1 12 . 1 1 50 50 SER N N 47 114.100 114.100 117.174 -3.074 18318
4848 1 12 . 1 1 50 50 SER HA H 47 4.390 4.390 4.428 -0.038 18318
4849 1 12 . 1 1 50 50 SER CA C 47 59.100 59.100 59.688 -0.588 18318
4850 1 12 . 1 1 50 50 SER CB C 47 64.800 64.800 64.073 0.727 18318
4851 1 12 . 1 1 50 50 SER H H 47 7.770 7.770 7.730 0.040 18318
4852 1 12 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.000 0.590 18318
4853 1 12 . 1 1 55 55 ARG C C 52 178.500 178.500 178.141 0.359 18318
4854 1 12 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.047 0.952 18318
4855 1 12 . 1 1 56 56 GLN N N 53 117.700 117.700 118.207 -0.507 18318
4856 1 12 . 1 1 56 56 GLN C C 53 175.000 175.000 178.288 -3.288 18318
4857 1 12 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.769 1.431 18318
4858 1 12 . 1 1 56 56 GLN H H 53 8.110 8.110 8.485 -0.375 18318
4859 1 12 . 1 1 57 57 ILE N N 54 121.200 121.200 117.542 3.658 18318
4860 1 12 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.925 -0.605 18318
4861 1 12 . 1 1 57 57 ILE C C 54 178.700 178.700 177.917 0.783 18318
4862 1 12 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.229 3.771 18318
4863 1 12 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.489 1.211 18318
4864 1 12 . 1 1 57 57 ILE H H 54 7.820 7.820 8.073 -0.253 18318
4865 1 12 . 1 1 58 58 ARG N N 55 118.900 118.900 120.561 -1.661 18318
4866 1 12 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.965 0.345 18318
4867 1 12 . 1 1 58 58 ARG C C 55 178.600 178.600 178.978 -0.378 18318
4868 1 12 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.967 0.933 18318
4869 1 12 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.590 1.911 18318
4870 1 12 . 1 1 58 58 ARG H H 55 8.250 8.250 7.851 0.399 18318
4871 1 12 . 1 1 59 59 GLN N N 56 115.800 115.800 117.090 -1.290 18318
4872 1 12 . 1 1 59 59 GLN C C 56 178.100 178.100 177.152 0.948 18318
4873 1 12 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.566 -0.566 18318
4874 1 12 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.766 0.034 18318
4875 1 12 . 1 1 59 59 GLN H H 56 7.920 7.920 7.545 0.375 18318
4876 1 12 . 1 1 60 60 ALA N N 57 121.600 121.600 120.222 1.378 18318
4877 1 12 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.161 0.019 18318
4878 1 12 . 1 1 60 60 ALA C C 57 179.600 179.600 179.330 0.270 18318
4879 1 12 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.205 0.295 18318
4880 1 12 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.043 -0.143 18318
4881 1 12 . 1 1 60 60 ALA H H 57 8.490 8.490 7.380 1.110 18318
4882 1 12 . 1 1 61 61 CYS N N 58 114.000 114.000 116.506 -2.506 18318
4883 1 12 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.490 0.640 18318
4884 1 12 . 1 1 61 61 CYS C C 58 175.000 175.000 174.611 0.389 18318
4885 1 12 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.338 -6.638 18318
4886 1 12 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.519 15.281 18318
4887 1 12 . 1 1 61 61 CYS H H 58 8.370 8.370 7.726 0.644 18318
4888 1 12 . 1 1 62 62 ALA N N 59 124.900 124.900 126.964 -2.064 18318
4889 1 12 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.435 -0.165 18318
4890 1 12 . 1 1 62 62 ALA C C 59 179.200 179.200 178.715 0.485 18318
4891 1 12 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.230 3.270 18318
4892 1 12 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.600 -0.800 18318
4893 1 12 . 1 1 62 62 ALA H H 59 7.200 7.200 8.290 -1.090 18318
4894 1 12 . 1 1 63 63 GLN N N 60 115.800 115.800 119.261 -3.461 18318
4895 1 12 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.201 0.279 18318
4896 1 12 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.328 0.872 18318
4897 1 12 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.343 -1.643 18318
4898 1 12 . 1 1 63 63 GLN H H 60 9.040 9.040 8.948 0.092 18318
4899 1 12 . 1 1 64 64 PRO C C 61 179.700 179.700 178.137 1.563 18318
4900 1 12 . 1 1 64 64 PRO CA C 61 65.600 65.600 64.798 0.802 18318
4901 1 12 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.209 -0.409 18318
4902 1 12 . 1 1 65 65 PHE N N 62 120.500 120.500 121.425 -0.925 18318
4903 1 12 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.760 -0.480 18318
4904 1 12 . 1 1 65 65 PHE C C 62 176.400 176.400 177.255 -0.855 18318
4905 1 12 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.287 2.113 18318
4906 1 12 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.806 -1.206 18318
4907 1 12 . 1 1 65 65 PHE H H 62 8.500 8.500 7.284 1.216 18318
4908 1 12 . 1 1 66 66 GLU N N 63 120.200 120.200 120.514 -0.314 18318
4909 1 12 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.035 -0.005 18318
4910 1 12 . 1 1 66 66 GLU C C 63 179.300 179.300 178.804 0.496 18318
4911 1 12 . 1 1 66 66 GLU CA C 63 59.200 59.200 60.007 -0.807 18318
4912 1 12 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.742 -1.242 18318
4913 1 12 . 1 1 66 66 GLU H H 63 8.900 8.900 8.653 0.247 18318
4914 1 12 . 1 1 67 67 ALA N N 64 120.600 120.600 121.676 -1.076 18318
4915 1 12 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.989 -0.119 18318
4916 1 12 . 1 1 67 67 ALA C C 64 180.500 180.500 179.920 0.580 18318
4917 1 12 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.110 -0.410 18318
4918 1 12 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.943 0.157 18318
4919 1 12 . 1 1 67 67 ALA H H 64 8.150 8.150 7.415 0.735 18318
4920 1 12 . 1 1 68 68 PHE N N 65 120.000 120.000 117.164 2.836 18318
4921 1 12 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.149 0.171 18318
4922 1 12 . 1 1 68 68 PHE C C 65 175.400 175.400 177.920 -2.520 18318
4923 1 12 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.164 -0.364 18318
4924 1 12 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.155 -0.155 18318
4925 1 12 . 1 1 68 68 PHE H H 65 7.810 7.810 7.194 0.616 18318
4926 1 12 . 1 1 69 69 GLU N N 66 119.400 119.400 118.790 0.610 18318
4927 1 12 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.939 0.231 18318
4928 1 12 . 1 1 69 69 GLU C C 66 178.800 178.800 178.939 -0.139 18318
4929 1 12 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.981 1.219 18318
4930 1 12 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.194 -0.094 18318
4931 1 12 . 1 1 69 69 GLU H H 66 8.330 8.330 8.309 0.021 18318
4932 1 12 . 1 1 70 70 GLU N N 67 118.600 118.600 118.561 0.039 18318
4933 1 12 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.263 -0.293 18318
4934 1 12 . 1 1 70 70 GLU C C 67 177.700 177.700 178.106 -0.406 18318
4935 1 12 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.725 0.075 18318
4936 1 12 . 1 1 70 70 GLU CB C 67 28.700 28.700 30.026 -1.326 18318
4937 1 12 . 1 1 70 70 GLU H H 67 8.240 8.240 7.933 0.307 18318
4938 1 12 . 1 1 71 71 CYS N N 68 119.100 119.100 120.283 -1.183 18318
4939 1 12 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.235 -0.155 18318
4940 1 12 . 1 1 71 71 CYS C C 68 177.900 177.900 177.516 0.384 18318
4941 1 12 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.448 -2.848 18318
4942 1 12 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.616 12.384 18318
4943 1 12 . 1 1 71 71 CYS H H 68 7.580 7.580 7.875 -0.295 18318
4944 1 12 . 1 1 72 72 LEU N N 69 122.000 122.000 117.542 4.458 18318
4945 1 12 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.219 -0.519 18318
4946 1 12 . 1 1 72 72 LEU C C 69 179.300 179.300 178.729 0.571 18318
4947 1 12 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.999 0.601 18318
4948 1 12 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.969 0.031 18318
4949 1 12 . 1 1 72 72 LEU H H 69 8.090 8.090 7.663 0.427 18318
4950 1 12 . 1 1 73 73 ARG N N 70 117.400 117.400 118.966 -1.566 18318
4951 1 12 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.072 -0.062 18318
4952 1 12 . 1 1 73 73 ARG C C 70 178.500 178.500 178.378 0.122 18318
4953 1 12 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.810 -0.110 18318
4954 1 12 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.349 -0.249 18318
4955 1 12 . 1 1 73 73 ARG H H 70 7.600 7.600 7.373 0.227 18318
4956 1 12 . 1 1 74 74 GLN N N 71 115.800 115.800 115.944 -0.144 18318
4957 1 12 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.401 -0.111 18318
4958 1 12 . 1 1 74 74 GLN C C 71 176.200 176.200 176.672 -0.472 18318
4959 1 12 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.459 -1.059 18318
4960 1 12 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.487 -1.287 18318
4961 1 12 . 1 1 74 74 GLN H H 71 7.580 7.580 8.183 -0.603 18318
4962 1 12 . 1 1 75 75 ASN N N 72 118.600 118.600 117.832 0.768 18318
4963 1 12 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.938 0.052 18318
4964 1 12 . 1 1 75 75 ASN C C 72 174.800 174.800 175.779 -0.979 18318
4965 1 12 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.380 0.620 18318
4966 1 12 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.236 1.565 18318
4967 1 12 . 1 1 75 75 ASN H H 72 7.750 7.750 8.008 -0.258 18318
4968 1 12 . 1 1 76 76 GLU N N 73 120.200 120.200 122.269 -2.069 18318
4969 1 12 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.008 -0.048 18318
4970 1 12 . 1 1 76 76 GLU C C 73 176.800 176.800 177.388 -0.588 18318
4971 1 12 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.597 -0.397 18318
4972 1 12 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.666 -0.566 18318
4973 1 12 . 1 1 76 76 GLU H H 73 7.950 7.950 8.071 -0.121 18318
4974 1 12 . 1 1 77 77 ALA N N 74 119.200 119.200 118.487 0.713 18318
4975 1 12 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.393 -0.033 18318
4976 1 12 . 1 1 77 77 ALA C C 74 175.400 175.400 177.447 -2.047 18318
4977 1 12 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.512 -0.412 18318
4978 1 12 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.443 -0.243 18318
4979 1 12 . 1 1 77 77 ALA H H 74 8.320 8.320 8.194 0.126 18318
4980 1 12 . 1 1 78 78 ALA N N 75 124.400 124.400 121.047 3.353 18318
4981 1 12 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.700 -0.320 18318
4982 1 12 . 1 1 78 78 ALA C C 75 177.200 177.200 178.147 -0.947 18318
4983 1 12 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.430 -0.030 18318
4984 1 12 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.146 -1.146 18318
4985 1 12 . 1 1 78 78 ALA H H 75 7.900 7.900 7.528 0.372 18318
4986 1 12 . 1 1 79 79 VAL N N 76 118.400 118.400 119.288 -0.888 18318
4987 1 12 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.865 -0.075 18318
4988 1 12 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.455 0.645 18318
4989 1 12 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.305 -0.005 18318
4990 1 12 . 1 1 79 79 VAL H H 76 8.100 8.100 7.408 0.692 18318
4991 1 12 . 1 1 80 80 GLY C C 77 175.900 175.900 175.353 0.547 18318
4992 1 12 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.629 -0.229 18318
4993 1 12 . 1 1 81 81 ASN N N 78 119.300 119.300 118.124 1.176 18318
4994 1 12 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.849 -0.249 18318
4995 1 12 . 1 1 81 81 ASN C C 78 176.700 176.700 175.534 1.166 18318
4996 1 12 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.371 0.129 18318
4997 1 12 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.614 -3.314 18318
4998 1 12 . 1 1 81 81 ASN H H 78 8.200 8.200 7.849 0.351 18318
4999 1 12 . 1 1 82 82 CYS N N 79 117.200 117.200 117.287 -0.087 18318
5000 1 12 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.839 0.561 18318
5001 1 12 . 1 1 82 82 CYS C C 79 175.800 175.800 173.401 2.399 18318
5002 1 12 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.727 -2.228 18318
5003 1 12 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.710 9.590 18318
5004 1 12 . 1 1 82 82 CYS H H 79 8.330 8.330 7.686 0.644 18318
5005 1 12 . 1 1 83 83 ALA N N 80 125.000 125.000 125.240 -0.240 18318
5006 1 12 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.497 -0.347 18318
5007 1 12 . 1 1 83 83 ALA C C 80 179.900 179.900 177.985 1.915 18318
5008 1 12 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.640 4.560 18318
5009 1 12 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.087 -1.887 18318
5010 1 12 . 1 1 83 83 ALA H H 80 7.700 7.700 8.338 -0.638 18318
5011 1 12 . 1 1 84 84 GLU N N 81 118.900 118.900 125.558 -6.658 18318
5012 1 12 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.038 -0.088 18318
5013 1 12 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.827 0.173 18318
5014 1 12 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.217 -0.317 18318
5015 1 12 . 1 1 84 84 GLU H H 81 8.920 8.920 8.925 -0.005 18318
5016 1 12 . 1 1 85 85 HIS C C 82 178.500 178.500 177.548 0.952 18318
5017 1 12 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.215 -2.115 18318
5018 1 12 . 1 1 86 86 MET N N 83 118.800 118.800 117.923 0.877 18318
5019 1 12 . 1 1 86 86 MET C C 83 177.200 177.200 178.407 -1.207 18318
5020 1 12 . 1 1 86 86 MET CA C 83 58.900 58.900 58.396 0.504 18318
5021 1 12 . 1 1 86 86 MET CB C 83 31.300 31.300 31.785 -0.485 18318
5022 1 12 . 1 1 86 86 MET H H 83 7.460 7.460 8.519 -1.059 18318
5023 1 12 . 1 1 87 87 ARG N N 84 119.500 119.500 117.330 2.170 18318
5024 1 12 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.785 0.125 18318
5025 1 12 . 1 1 87 87 ARG C C 84 178.600 178.600 178.183 0.417 18318
5026 1 12 . 1 1 87 87 ARG CA C 84 59.900 59.900 57.596 2.304 18318
5027 1 12 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.536 0.964 18318
5028 1 12 . 1 1 87 87 ARG H H 84 8.220 8.220 7.362 0.858 18318
5029 1 12 . 1 1 88 88 ARG N N 85 117.900 117.900 119.312 -1.412 18318
5030 1 12 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.988 -0.068 18318
5031 1 12 . 1 1 88 88 ARG C C 85 179.700 179.700 178.957 0.743 18318
5032 1 12 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.926 0.574 18318
5033 1 12 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.539 0.461 18318
5034 1 12 . 1 1 88 88 ARG H H 85 8.100 8.100 7.685 0.415 18318
5035 1 12 . 1 1 89 89 PHE N N 86 119.700 119.700 117.044 2.656 18318
5036 1 12 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.404 -0.054 18318
5037 1 12 . 1 1 89 89 PHE C C 86 175.600 175.600 177.898 -2.298 18318
5038 1 12 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.220 0.880 18318
5039 1 12 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.954 -1.154 18318
5040 1 12 . 1 1 89 89 PHE H H 86 7.930 7.930 8.011 -0.081 18318
5041 1 12 . 1 1 90 90 LEU N N 87 120.400 120.400 121.213 -0.813 18318
5042 1 12 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.011 -0.301 18318
5043 1 12 . 1 1 90 90 LEU C C 87 179.200 179.200 178.096 1.104 18318
5044 1 12 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.331 -0.631 18318
5045 1 12 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.045 -1.745 18318
5046 1 12 . 1 1 90 90 LEU H H 87 8.640 8.640 7.255 1.385 18318
5047 1 12 . 1 1 91 91 GLN N N 88 118.200 118.200 118.451 -0.251 18318
5048 1 12 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.144 -0.104 18318
5049 1 12 . 1 1 91 91 GLN C C 88 178.000 178.000 178.536 -0.536 18318
5050 1 12 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.129 -0.429 18318
5051 1 12 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.087 -0.087 18318
5052 1 12 . 1 1 91 91 GLN H H 88 8.380 8.380 8.811 -0.431 18318
5053 1 12 . 1 1 92 92 CYS N N 89 119.000 119.000 116.267 2.733 18318
5054 1 12 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.612 -0.562 18318
5055 1 12 . 1 1 92 92 CYS C C 89 176.600 176.600 177.070 -0.470 18318
5056 1 12 . 1 1 92 92 CYS CA C 89 60.100 60.100 59.908 0.192 18318
5057 1 12 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.805 13.695 18318
5058 1 12 . 1 1 92 92 CYS H H 89 7.390 7.390 8.016 -0.626 18318
5059 1 12 . 1 1 93 93 ALA N N 90 122.900 122.900 123.234 -0.334 18318
5060 1 12 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.140 -0.230 18318
5061 1 12 . 1 1 93 93 ALA C C 90 179.200 179.200 178.636 0.564 18318
5062 1 12 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.707 -0.007 18318
5063 1 12 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.461 -0.661 18318
5064 1 12 . 1 1 93 93 ALA H H 90 8.410 8.410 7.225 1.185 18318
5065 1 12 . 1 1 94 94 GLU N N 91 115.800 115.800 117.388 -1.588 18318
5066 1 12 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.086 0.064 18318
5067 1 12 . 1 1 94 94 GLU C C 91 177.400 177.400 178.966 -1.566 18318
5068 1 12 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.635 -0.735 18318
5069 1 12 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.988 -0.588 18318
5070 1 12 . 1 1 94 94 GLU H H 91 7.880 7.880 8.217 -0.337 18318
5071 1 12 . 1 1 95 95 GLN N N 92 115.500 115.500 118.289 -2.789 18318
5072 1 12 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.120 0.170 18318
5073 1 12 . 1 1 95 95 GLN C C 92 176.600 176.600 177.034 -0.434 18318
5074 1 12 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.563 -1.263 18318
5075 1 12 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.087 -0.187 18318
5076 1 12 . 1 1 95 95 GLN H H 92 7.450 7.450 7.997 -0.547 18318
5077 1 13 . 1 1 15 15 CYS N N 12 117.500 117.500 118.837 -1.337 18318
5078 1 13 . 1 1 15 15 CYS C C 12 175.500 175.500 175.719 -0.219 18318
5079 1 13 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.084 -4.384 18318
5080 1 13 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.852 5.848 18318
5081 1 13 . 1 1 15 15 CYS H H 12 8.280 8.280 8.913 -0.633 18318
5082 1 13 . 1 1 16 16 GLY N N 13 108.700 108.700 110.341 -1.641 18318
5083 1 13 . 1 1 16 16 GLY C C 13 176.600 176.600 174.942 1.658 18318
5084 1 13 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.393 1.507 18318
5085 1 13 . 1 1 16 16 GLY H H 13 8.080 8.080 8.960 -0.880 18318
5086 1 13 . 1 1 17 17 ARG N N 14 123.300 123.300 119.449 3.851 18318
5087 1 13 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.037 -0.077 18318
5088 1 13 . 1 1 17 17 ARG C C 14 179.300 179.300 177.360 1.940 18318
5089 1 13 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.398 0.802 18318
5090 1 13 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.876 0.224 18318
5091 1 13 . 1 1 17 17 ARG H H 14 8.630 8.630 8.407 0.223 18318
5092 1 13 . 1 1 18 18 GLU N N 15 121.900 121.900 119.492 2.408 18318
5093 1 13 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.267 -0.097 18318
5094 1 13 . 1 1 18 18 GLU C C 15 177.900 177.900 177.737 0.163 18318
5095 1 13 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.386 2.714 18318
5096 1 13 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.550 -1.350 18318
5097 1 13 . 1 1 18 18 GLU H H 15 9.670 9.670 7.618 2.052 18318
5098 1 13 . 1 1 19 19 LEU N N 16 119.400 119.400 121.598 -2.198 18318
5099 1 13 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.125 2.775 18318
5100 1 13 . 1 1 19 19 LEU H H 16 8.090 8.090 8.266 -0.176 18318
5101 1 13 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.048 -0.368 18318
5102 1 13 . 1 1 20 20 GLU C C 17 177.200 177.200 178.823 -1.623 18318
5103 1 13 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.870 -0.570 18318
5104 1 13 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.756 -0.756 18318
5105 1 13 . 1 1 21 21 GLN N N 18 118.500 118.500 118.566 -0.066 18318
5106 1 13 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.124 -0.084 18318
5107 1 13 . 1 1 21 21 GLN C C 18 177.200 177.200 178.671 -1.471 18318
5108 1 13 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.395 0.605 18318
5109 1 13 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.217 0.483 18318
5110 1 13 . 1 1 21 21 GLN H H 18 8.560 8.560 7.668 0.892 18318
5111 1 13 . 1 1 22 22 TYR N N 19 120.700 120.700 122.194 -1.494 18318
5112 1 13 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.508 -0.228 18318
5113 1 13 . 1 1 22 22 TYR C C 19 176.600 176.600 177.937 -1.337 18318
5114 1 13 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.718 2.382 18318
5115 1 13 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.386 0.514 18318
5116 1 13 . 1 1 22 22 TYR H H 19 8.120 8.120 8.792 -0.672 18318
5117 1 13 . 1 1 23 23 GLY N N 20 105.600 105.600 107.298 -1.698 18318
5118 1 13 . 1 1 23 23 GLY C C 20 176.700 176.700 176.009 0.691 18318
5119 1 13 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.961 0.139 18318
5120 1 13 . 1 1 23 23 GLY H H 20 8.390 8.390 7.574 0.816 18318
5121 1 13 . 1 1 24 24 GLN N N 21 120.300 120.300 120.923 -0.623 18318
5122 1 13 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.075 -0.025 18318
5123 1 13 . 1 1 24 24 GLN C C 21 178.000 178.000 178.381 -0.381 18318
5124 1 13 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.894 -0.294 18318
5125 1 13 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.891 -1.291 18318
5126 1 13 . 1 1 24 24 GLN H H 21 8.130 8.130 7.710 0.420 18318
5127 1 13 . 1 1 25 25 CYS N N 22 121.500 121.500 118.141 3.359 18318
5128 1 13 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.479 -0.199 18318
5129 1 13 . 1 1 25 25 CYS C C 22 175.400 175.400 177.046 -1.646 18318
5130 1 13 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.741 -3.141 18318
5131 1 13 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.652 13.248 18318
5132 1 13 . 1 1 25 25 CYS H H 22 7.610 7.610 7.788 -0.178 18318
5133 1 13 . 1 1 26 26 VAL N N 23 119.900 119.900 118.397 1.503 18318
5134 1 13 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.929 -0.139 18318
5135 1 13 . 1 1 26 26 VAL C C 23 177.100 177.100 177.105 -0.005 18318
5136 1 13 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.028 1.872 18318
5137 1 13 . 1 1 26 26 VAL CB C 23 29.300 29.300 30.354 -1.054 18318
5138 1 13 . 1 1 26 26 VAL H H 23 8.040 8.040 7.863 0.177 18318
5139 1 13 . 1 1 27 27 ALA N N 24 117.400 117.400 122.612 -5.212 18318
5140 1 13 . 1 1 27 27 ALA HA H 24 4.100 4.100 3.987 0.113 18318
5141 1 13 . 1 1 27 27 ALA C C 24 178.600 178.600 178.674 -0.074 18318
5142 1 13 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.489 -0.389 18318
5143 1 13 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.672 -0.772 18318
5144 1 13 . 1 1 27 27 ALA H H 24 7.430 7.430 7.899 -0.469 18318
5145 1 13 . 1 1 28 28 ALA N N 25 116.100 116.100 120.463 -4.363 18318
5146 1 13 . 1 1 28 28 ALA HA H 25 4.330 4.330 3.907 0.423 18318
5147 1 13 . 1 1 28 28 ALA C C 25 178.100 178.100 177.370 0.730 18318
5148 1 13 . 1 1 28 28 ALA CA C 25 52.600 52.600 52.897 -0.297 18318
5149 1 13 . 1 1 28 28 ALA CB C 25 19.100 19.100 18.846 0.254 18318
5150 1 13 . 1 1 28 28 ALA H H 25 7.120 7.120 7.474 -0.354 18318
5151 1 13 . 1 1 29 29 LYS N N 26 119.200 119.200 114.620 4.580 18318
5152 1 13 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.479 5.221 18318
5153 1 13 . 1 1 29 29 LYS CB C 26 32.100 32.100 35.057 -2.957 18318
5154 1 13 . 1 1 29 29 LYS H H 26 7.560 7.560 7.448 0.112 18318
5155 1 13 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.349 -0.139 18318
5156 1 13 . 1 1 30 30 PRO C C 27 177.000 177.000 177.149 -0.149 18318
5157 1 13 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.039 0.861 18318
5158 1 13 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.160 -0.560 18318
5159 1 13 . 1 1 31 31 GLU N N 28 114.600 114.600 117.805 -3.205 18318
5160 1 13 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.394 0.056 18318
5161 1 13 . 1 1 31 31 GLU C C 28 176.100 176.100 178.707 -2.607 18318
5162 1 13 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.220 -1.020 18318
5163 1 13 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.740 -0.140 18318
5164 1 13 . 1 1 31 31 GLU H H 28 8.770 8.770 8.367 0.403 18318
5165 1 13 . 1 1 32 32 SER N N 29 111.000 111.000 116.810 -5.810 18318
5166 1 13 . 1 1 32 32 SER HA H 29 4.510 4.510 4.302 0.208 18318
5167 1 13 . 1 1 32 32 SER C C 29 176.600 176.600 176.698 -0.098 18318
5168 1 13 . 1 1 32 32 SER CA C 29 58.500 58.500 62.187 -3.687 18318
5169 1 13 . 1 1 32 32 SER CB C 29 63.800 63.800 62.972 0.827 18318
5170 1 13 . 1 1 32 32 SER H H 29 7.750 7.750 8.363 -0.613 18318
5171 1 13 . 1 1 33 33 TRP N N 30 125.000 125.000 120.539 4.461 18318
5172 1 13 . 1 1 33 33 TRP C C 30 177.200 177.200 178.004 -0.804 18318
5173 1 13 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.399 0.601 18318
5174 1 13 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.341 0.159 18318
5175 1 13 . 1 1 33 33 TRP H H 30 7.820 7.820 8.887 -1.067 18318
5176 1 13 . 1 1 34 34 GLN N N 31 123.600 123.600 119.292 4.308 18318
5177 1 13 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.062 0.388 18318
5178 1 13 . 1 1 34 34 GLN C C 31 176.800 176.800 178.636 -1.836 18318
5179 1 13 . 1 1 34 34 GLN CA C 31 59.900 59.900 59.633 0.267 18318
5180 1 13 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.032 -1.532 18318
5181 1 13 . 1 1 34 34 GLN H H 31 8.240 8.240 8.415 -0.175 18318
5182 1 13 . 1 1 35 35 ARG N N 32 115.900 115.900 118.946 -3.046 18318
5183 1 13 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.104 0.176 18318
5184 1 13 . 1 1 35 35 ARG C C 32 178.900 178.900 177.775 1.125 18318
5185 1 13 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.989 -1.589 18318
5186 1 13 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.108 1.192 18318
5187 1 13 . 1 1 35 35 ARG H H 32 7.450 7.450 7.617 -0.167 18318
5188 1 13 . 1 1 36 36 ASP N N 33 117.700 117.700 118.584 -0.884 18318
5189 1 13 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.363 -0.223 18318
5190 1 13 . 1 1 36 36 ASP C C 33 177.600 177.600 176.256 1.344 18318
5191 1 13 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.925 0.275 18318
5192 1 13 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.210 -0.310 18318
5193 1 13 . 1 1 36 36 ASP H H 33 8.760 8.760 7.972 0.788 18318
5194 1 13 . 1 1 37 37 CYS N N 34 113.300 113.300 116.767 -3.467 18318
5195 1 13 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.869 0.531 18318
5196 1 13 . 1 1 37 37 CYS C C 34 175.800 175.800 175.255 0.545 18318
5197 1 13 . 1 1 37 37 CYS CA C 34 53.100 53.100 55.874 -2.774 18318
5198 1 13 . 1 1 37 37 CYS CB C 34 39.500 39.500 27.005 12.495 18318
5199 1 13 . 1 1 37 37 CYS H H 34 8.260 8.260 7.551 0.709 18318
5200 1 13 . 1 1 38 38 HIS N N 35 124.200 124.200 121.781 2.419 18318
5201 1 13 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.477 -0.127 18318
5202 1 13 . 1 1 38 38 HIS C C 35 177.400 177.400 175.731 1.669 18318
5203 1 13 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.133 2.867 18318
5204 1 13 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.755 0.845 18318
5205 1 13 . 1 1 38 38 HIS H H 35 7.520 7.520 8.197 -0.677 18318
5206 1 13 . 1 1 39 39 TYR N N 36 117.100 117.100 121.268 -4.168 18318
5207 1 13 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.343 -0.043 18318
5208 1 13 . 1 1 39 39 TYR C C 36 177.700 177.700 177.276 0.424 18318
5209 1 13 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.189 -0.589 18318
5210 1 13 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.202 -2.002 18318
5211 1 13 . 1 1 39 39 TYR H H 36 8.930 8.930 7.574 1.356 18318
5212 1 13 . 1 1 40 40 LEU N N 37 122.000 122.000 119.459 2.541 18318
5213 1 13 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.048 0.122 18318
5214 1 13 . 1 1 40 40 LEU C C 37 179.400 179.400 179.071 0.329 18318
5215 1 13 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.778 -1.278 18318
5216 1 13 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.267 1.133 18318
5217 1 13 . 1 1 40 40 LEU H H 37 6.940 6.940 8.223 -1.283 18318
5218 1 13 . 1 1 41 41 LYS N N 38 125.300 125.300 117.581 7.719 18318
5219 1 13 . 1 1 41 41 LYS C C 38 179.600 179.600 178.159 1.441 18318
5220 1 13 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.469 1.131 18318
5221 1 13 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.386 -1.386 18318
5222 1 13 . 1 1 41 41 LYS H H 38 7.880 7.880 7.772 0.108 18318
5223 1 13 . 1 1 42 42 MET N N 39 117.600 117.600 119.669 -2.069 18318
5224 1 13 . 1 1 42 42 MET HA H 39 4.120 4.120 4.259 -0.139 18318
5225 1 13 . 1 1 42 42 MET C C 39 178.900 178.900 177.937 0.963 18318
5226 1 13 . 1 1 42 42 MET CA C 39 57.200 57.200 57.740 -0.540 18318
5227 1 13 . 1 1 42 42 MET CB C 39 30.000 30.000 32.892 -2.892 18318
5228 1 13 . 1 1 42 42 MET H H 39 8.090 8.090 7.737 0.353 18318
5229 1 13 . 1 1 43 43 SER N N 40 115.900 115.900 115.670 0.230 18318
5230 1 13 . 1 1 43 43 SER HA H 40 4.290 4.290 4.088 0.202 18318
5231 1 13 . 1 1 43 43 SER C C 40 177.400 177.400 176.845 0.555 18318
5232 1 13 . 1 1 43 43 SER CA C 40 61.700 61.700 62.057 -0.357 18318
5233 1 13 . 1 1 43 43 SER CB C 40 62.500 62.500 62.963 -0.463 18318
5234 1 13 . 1 1 43 43 SER H H 40 7.600 7.600 8.531 -0.931 18318
5235 1 13 . 1 1 44 44 ILE N N 41 121.900 121.900 117.198 4.702 18318
5236 1 13 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.943 -0.403 18318
5237 1 13 . 1 1 44 44 ILE C C 41 177.500 177.500 177.288 0.212 18318
5238 1 13 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.216 1.884 18318
5239 1 13 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.457 0.443 18318
5240 1 13 . 1 1 44 44 ILE H H 41 7.540 7.540 7.253 0.287 18318
5241 1 13 . 1 1 45 45 ALA N N 42 122.600 122.600 122.803 -0.203 18318
5242 1 13 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.928 0.252 18318
5243 1 13 . 1 1 45 45 ALA C C 42 180.200 180.200 179.969 0.231 18318
5244 1 13 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.984 -0.184 18318
5245 1 13 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.041 -0.741 18318
5246 1 13 . 1 1 45 45 ALA H H 42 7.420 7.420 7.202 0.218 18318
5247 1 13 . 1 1 46 46 GLN N N 43 118.400 118.400 117.070 1.330 18318
5248 1 13 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.154 -0.184 18318
5249 1 13 . 1 1 46 46 GLN C C 43 178.500 178.500 178.144 0.356 18318
5250 1 13 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.051 0.649 18318
5251 1 13 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.451 -0.651 18318
5252 1 13 . 1 1 46 46 GLN H H 43 8.290 8.290 7.746 0.544 18318
5253 1 13 . 1 1 47 47 CYS N N 44 119.500 119.500 119.758 -0.258 18318
5254 1 13 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.061 0.029 18318
5255 1 13 . 1 1 47 47 CYS C C 44 176.500 176.500 176.923 -0.423 18318
5256 1 13 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.782 -2.482 18318
5257 1 13 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.459 13.441 18318
5258 1 13 . 1 1 47 47 CYS H H 44 7.590 7.590 7.661 -0.071 18318
5259 1 13 . 1 1 48 48 THR N N 45 113.000 113.000 115.449 -2.449 18318
5260 1 13 . 1 1 48 48 THR C C 45 175.900 175.900 175.818 0.082 18318
5261 1 13 . 1 1 48 48 THR CA C 45 65.400 65.400 64.778 0.622 18318
5262 1 13 . 1 1 48 48 THR CB C 45 68.800 68.800 68.322 0.478 18318
5263 1 13 . 1 1 48 48 THR H H 45 8.810 8.810 7.838 0.972 18318
5264 1 13 . 1 1 49 49 SER N N 46 113.200 113.200 116.052 -2.852 18318
5265 1 13 . 1 1 49 49 SER HA H 46 4.380 4.380 4.384 -0.004 18318
5266 1 13 . 1 1 49 49 SER C C 46 175.600 175.600 175.801 -0.201 18318
5267 1 13 . 1 1 49 49 SER CA C 46 60.000 60.000 60.831 -0.831 18318
5268 1 13 . 1 1 49 49 SER CB C 46 63.900 63.900 63.787 0.113 18318
5269 1 13 . 1 1 49 49 SER H H 46 7.890 7.890 7.660 0.230 18318
5270 1 13 . 1 1 50 50 SER N N 47 114.100 114.100 113.794 0.306 18318
5271 1 13 . 1 1 50 50 SER HA H 47 4.390 4.390 4.668 -0.278 18318
5272 1 13 . 1 1 50 50 SER CA C 47 59.100 59.100 58.689 0.411 18318
5273 1 13 . 1 1 50 50 SER CB C 47 64.800 64.800 65.430 -0.630 18318
5274 1 13 . 1 1 50 50 SER H H 47 7.770 7.770 8.050 -0.280 18318
5275 1 13 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.017 0.573 18318
5276 1 13 . 1 1 55 55 ARG C C 52 178.500 178.500 177.952 0.548 18318
5277 1 13 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.148 0.852 18318
5278 1 13 . 1 1 56 56 GLN N N 53 117.700 117.700 118.264 -0.564 18318
5279 1 13 . 1 1 56 56 GLN C C 53 175.000 175.000 178.206 -3.206 18318
5280 1 13 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.255 0.945 18318
5281 1 13 . 1 1 56 56 GLN H H 53 8.110 8.110 8.513 -0.403 18318
5282 1 13 . 1 1 57 57 ILE N N 54 121.200 121.200 117.886 3.314 18318
5283 1 13 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.808 -0.488 18318
5284 1 13 . 1 1 57 57 ILE C C 54 178.700 178.700 177.865 0.835 18318
5285 1 13 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.745 3.255 18318
5286 1 13 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.188 0.512 18318
5287 1 13 . 1 1 57 57 ILE H H 54 7.820 7.820 7.953 -0.133 18318
5288 1 13 . 1 1 58 58 ARG N N 55 118.900 118.900 118.823 0.077 18318
5289 1 13 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.112 0.198 18318
5290 1 13 . 1 1 58 58 ARG C C 55 178.600 178.600 178.484 0.116 18318
5291 1 13 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.366 1.534 18318
5292 1 13 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.931 1.569 18318
5293 1 13 . 1 1 58 58 ARG H H 55 8.250 8.250 7.376 0.874 18318
5294 1 13 . 1 1 59 59 GLN N N 56 115.800 115.800 118.378 -2.578 18318
5295 1 13 . 1 1 59 59 GLN C C 56 178.100 178.100 176.548 1.552 18318
5296 1 13 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.086 -0.086 18318
5297 1 13 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.675 0.125 18318
5298 1 13 . 1 1 59 59 GLN H H 56 7.920 7.920 8.037 -0.117 18318
5299 1 13 . 1 1 60 60 ALA N N 57 121.600 121.600 120.037 1.563 18318
5300 1 13 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.295 -0.115 18318
5301 1 13 . 1 1 60 60 ALA C C 57 179.600 179.600 178.177 1.423 18318
5302 1 13 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.464 1.036 18318
5303 1 13 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.666 -0.766 18318
5304 1 13 . 1 1 60 60 ALA H H 57 8.490 8.490 7.547 0.943 18318
5305 1 13 . 1 1 61 61 CYS N N 58 114.000 114.000 118.124 -4.124 18318
5306 1 13 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.621 0.509 18318
5307 1 13 . 1 1 61 61 CYS C C 58 175.000 175.000 173.767 1.233 18318
5308 1 13 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.223 -6.523 18318
5309 1 13 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.585 14.215 18318
5310 1 13 . 1 1 61 61 CYS H H 58 8.370 8.370 7.593 0.777 18318
5311 1 13 . 1 1 62 62 ALA N N 59 124.900 124.900 127.521 -2.621 18318
5312 1 13 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.532 -0.262 18318
5313 1 13 . 1 1 62 62 ALA C C 59 179.200 179.200 178.917 0.283 18318
5314 1 13 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.641 2.859 18318
5315 1 13 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.867 -1.067 18318
5316 1 13 . 1 1 62 62 ALA H H 59 7.200 7.200 8.368 -1.168 18318
5317 1 13 . 1 1 63 63 GLN N N 60 115.800 115.800 119.991 -4.191 18318
5318 1 13 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.102 0.378 18318
5319 1 13 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.079 0.121 18318
5320 1 13 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.880 -2.179 18318
5321 1 13 . 1 1 63 63 GLN H H 60 9.040 9.040 8.751 0.289 18318
5322 1 13 . 1 1 64 64 PRO C C 61 179.700 179.700 178.126 1.574 18318
5323 1 13 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.404 0.196 18318
5324 1 13 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.139 -0.339 18318
5325 1 13 . 1 1 65 65 PHE N N 62 120.500 120.500 119.193 1.307 18318
5326 1 13 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.505 -0.225 18318
5327 1 13 . 1 1 65 65 PHE C C 62 176.400 176.400 176.998 -0.598 18318
5328 1 13 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.244 3.156 18318
5329 1 13 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.595 0.005 18318
5330 1 13 . 1 1 65 65 PHE H H 62 8.500 8.500 8.354 0.146 18318
5331 1 13 . 1 1 66 66 GLU N N 63 120.200 120.200 120.616 -0.416 18318
5332 1 13 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.645 0.385 18318
5333 1 13 . 1 1 66 66 GLU C C 63 179.300 179.300 178.514 0.786 18318
5334 1 13 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.631 -0.431 18318
5335 1 13 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.422 -0.922 18318
5336 1 13 . 1 1 66 66 GLU H H 63 8.900 8.900 8.150 0.750 18318
5337 1 13 . 1 1 67 67 ALA N N 64 120.600 120.600 122.471 -1.871 18318
5338 1 13 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.938 -0.068 18318
5339 1 13 . 1 1 67 67 ALA C C 64 180.500 180.500 179.693 0.807 18318
5340 1 13 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.853 -0.153 18318
5341 1 13 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.303 -0.203 18318
5342 1 13 . 1 1 67 67 ALA H H 64 8.150 8.150 7.304 0.846 18318
5343 1 13 . 1 1 68 68 PHE N N 65 120.000 120.000 116.745 3.255 18318
5344 1 13 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.257 0.063 18318
5345 1 13 . 1 1 68 68 PHE C C 65 175.400 175.400 177.541 -2.141 18318
5346 1 13 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.812 -0.012 18318
5347 1 13 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.333 -0.333 18318
5348 1 13 . 1 1 68 68 PHE H H 65 7.810 7.810 7.392 0.418 18318
5349 1 13 . 1 1 69 69 GLU N N 66 119.400 119.400 119.465 -0.065 18318
5350 1 13 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.606 0.564 18318
5351 1 13 . 1 1 69 69 GLU C C 66 178.800 178.800 178.963 -0.163 18318
5352 1 13 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.502 0.698 18318
5353 1 13 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.899 0.201 18318
5354 1 13 . 1 1 69 69 GLU H H 66 8.330 8.330 8.285 0.045 18318
5355 1 13 . 1 1 70 70 GLU N N 67 118.600 118.600 118.789 -0.189 18318
5356 1 13 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.078 -0.108 18318
5357 1 13 . 1 1 70 70 GLU C C 67 177.700 177.700 178.670 -0.970 18318
5358 1 13 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.918 -0.118 18318
5359 1 13 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.569 -0.869 18318
5360 1 13 . 1 1 70 70 GLU H H 67 8.240 8.240 8.296 -0.056 18318
5361 1 13 . 1 1 71 71 CYS N N 68 119.100 119.100 118.789 0.311 18318
5362 1 13 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.162 -0.082 18318
5363 1 13 . 1 1 71 71 CYS C C 68 177.900 177.900 177.326 0.574 18318
5364 1 13 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.209 -2.609 18318
5365 1 13 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.526 12.474 18318
5366 1 13 . 1 1 71 71 CYS H H 68 7.580 7.580 7.707 -0.127 18318
5367 1 13 . 1 1 72 72 LEU N N 69 122.000 122.000 118.336 3.664 18318
5368 1 13 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.195 -0.495 18318
5369 1 13 . 1 1 72 72 LEU C C 69 179.300 179.300 179.028 0.272 18318
5370 1 13 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.241 0.359 18318
5371 1 13 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.427 -0.427 18318
5372 1 13 . 1 1 72 72 LEU H H 69 8.090 8.090 7.584 0.506 18318
5373 1 13 . 1 1 73 73 ARG N N 70 117.400 117.400 119.761 -2.361 18318
5374 1 13 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.953 0.057 18318
5375 1 13 . 1 1 73 73 ARG C C 70 178.500 178.500 178.113 0.387 18318
5376 1 13 . 1 1 73 73 ARG CA C 70 58.700 58.700 59.016 -0.316 18318
5377 1 13 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.766 0.334 18318
5378 1 13 . 1 1 73 73 ARG H H 70 7.600 7.600 7.689 -0.089 18318
5379 1 13 . 1 1 74 74 GLN N N 71 115.800 115.800 115.463 0.337 18318
5380 1 13 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.440 -0.150 18318
5381 1 13 . 1 1 74 74 GLN C C 71 176.200 176.200 175.165 1.035 18318
5382 1 13 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.013 0.387 18318
5383 1 13 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.615 -1.415 18318
5384 1 13 . 1 1 74 74 GLN H H 71 7.580 7.580 7.659 -0.079 18318
5385 1 13 . 1 1 75 75 ASN N N 72 118.600 118.600 117.628 0.972 18318
5386 1 13 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.906 0.084 18318
5387 1 13 . 1 1 75 75 ASN C C 72 174.800 174.800 174.772 0.028 18318
5388 1 13 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.996 0.004 18318
5389 1 13 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.989 0.811 18318
5390 1 13 . 1 1 75 75 ASN H H 72 7.750 7.750 7.844 -0.094 18318
5391 1 13 . 1 1 76 76 GLU N N 73 120.200 120.200 122.891 -2.691 18318
5392 1 13 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.947 0.013 18318
5393 1 13 . 1 1 76 76 GLU C C 73 176.800 176.800 176.533 0.267 18318
5394 1 13 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.352 -0.152 18318
5395 1 13 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.717 -0.617 18318
5396 1 13 . 1 1 76 76 GLU H H 73 7.950 7.950 8.114 -0.164 18318
5397 1 13 . 1 1 77 77 ALA N N 74 119.200 119.200 119.461 -0.261 18318
5398 1 13 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.429 -0.069 18318
5399 1 13 . 1 1 77 77 ALA C C 74 175.400 175.400 176.984 -1.584 18318
5400 1 13 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.866 0.234 18318
5401 1 13 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.337 -0.137 18318
5402 1 13 . 1 1 77 77 ALA H H 74 8.320 8.320 8.011 0.309 18318
5403 1 13 . 1 1 78 78 ALA N N 75 124.400 124.400 122.424 1.976 18318
5404 1 13 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.701 -0.321 18318
5405 1 13 . 1 1 78 78 ALA C C 75 177.200 177.200 178.198 -0.998 18318
5406 1 13 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.727 -0.327 18318
5407 1 13 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.524 -1.524 18318
5408 1 13 . 1 1 78 78 ALA H H 75 7.900 7.900 7.468 0.432 18318
5409 1 13 . 1 1 79 79 VAL N N 76 118.400 118.400 118.847 -0.447 18318
5410 1 13 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.290 -0.500 18318
5411 1 13 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.903 1.197 18318
5412 1 13 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.193 0.107 18318
5413 1 13 . 1 1 79 79 VAL H H 76 8.100 8.100 8.191 -0.091 18318
5414 1 13 . 1 1 80 80 GLY C C 77 175.900 175.900 175.525 0.375 18318
5415 1 13 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.277 0.123 18318
5416 1 13 . 1 1 81 81 ASN N N 78 119.300 119.300 118.030 1.270 18318
5417 1 13 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.836 -0.236 18318
5418 1 13 . 1 1 81 81 ASN C C 78 176.700 176.700 174.704 1.996 18318
5419 1 13 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.559 -0.059 18318
5420 1 13 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.336 -3.036 18318
5421 1 13 . 1 1 81 81 ASN H H 78 8.200 8.200 7.792 0.408 18318
5422 1 13 . 1 1 82 82 CYS N N 79 117.200 117.200 115.280 1.920 18318
5423 1 13 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.865 0.535 18318
5424 1 13 . 1 1 82 82 CYS C C 79 175.800 175.800 173.136 2.664 18318
5425 1 13 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.724 -3.224 18318
5426 1 13 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.368 8.932 18318
5427 1 13 . 1 1 82 82 CYS H H 79 8.330 8.330 7.684 0.646 18318
5428 1 13 . 1 1 83 83 ALA N N 80 125.000 125.000 125.744 -0.744 18318
5429 1 13 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.425 -0.275 18318
5430 1 13 . 1 1 83 83 ALA C C 80 179.900 179.900 178.019 1.881 18318
5431 1 13 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.740 3.460 18318
5432 1 13 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.892 -1.692 18318
5433 1 13 . 1 1 83 83 ALA H H 80 7.700 7.700 8.533 -0.833 18318
5434 1 13 . 1 1 84 84 GLU N N 81 118.900 118.900 120.471 -1.571 18318
5435 1 13 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.918 0.032 18318
5436 1 13 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.326 0.674 18318
5437 1 13 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.175 -0.275 18318
5438 1 13 . 1 1 84 84 GLU H H 81 8.920 8.920 8.481 0.439 18318
5439 1 13 . 1 1 85 85 HIS C C 82 178.500 178.500 176.578 1.922 18318
5440 1 13 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.332 -2.232 18318
5441 1 13 . 1 1 86 86 MET N N 83 118.800 118.800 118.065 0.735 18318
5442 1 13 . 1 1 86 86 MET C C 83 177.200 177.200 178.279 -1.079 18318
5443 1 13 . 1 1 86 86 MET CA C 83 58.900 58.900 59.199 -0.299 18318
5444 1 13 . 1 1 86 86 MET CB C 83 31.300 31.300 32.562 -1.262 18318
5445 1 13 . 1 1 86 86 MET H H 83 7.460 7.460 7.568 -0.108 18318
5446 1 13 . 1 1 87 87 ARG N N 84 119.500 119.500 118.224 1.276 18318
5447 1 13 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.053 -0.143 18318
5448 1 13 . 1 1 87 87 ARG C C 84 178.600 178.600 178.388 0.212 18318
5449 1 13 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.525 1.375 18318
5450 1 13 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.535 -0.035 18318
5451 1 13 . 1 1 87 87 ARG H H 84 8.220 8.220 7.682 0.538 18318
5452 1 13 . 1 1 88 88 ARG N N 85 117.900 117.900 120.398 -2.498 18318
5453 1 13 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.030 -0.110 18318
5454 1 13 . 1 1 88 88 ARG C C 85 179.700 179.700 177.926 1.774 18318
5455 1 13 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.169 0.331 18318
5456 1 13 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.518 0.482 18318
5457 1 13 . 1 1 88 88 ARG H H 85 8.100 8.100 7.586 0.514 18318
5458 1 13 . 1 1 89 89 PHE N N 86 119.700 119.700 120.875 -1.175 18318
5459 1 13 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.113 0.237 18318
5460 1 13 . 1 1 89 89 PHE C C 86 175.600 175.600 177.277 -1.677 18318
5461 1 13 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.505 -0.405 18318
5462 1 13 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.015 -1.215 18318
5463 1 13 . 1 1 89 89 PHE H H 86 7.930 7.930 8.062 -0.132 18318
5464 1 13 . 1 1 90 90 LEU N N 87 120.400 120.400 119.621 0.779 18318
5465 1 13 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.038 -0.328 18318
5466 1 13 . 1 1 90 90 LEU C C 87 179.200 179.200 179.271 -0.071 18318
5467 1 13 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.994 -0.294 18318
5468 1 13 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.138 -0.838 18318
5469 1 13 . 1 1 90 90 LEU H H 87 8.640 8.640 7.601 1.039 18318
5470 1 13 . 1 1 91 91 GLN N N 88 118.200 118.200 118.473 -0.273 18318
5471 1 13 . 1 1 91 91 GLN HA H 88 4.040 4.040 3.971 0.069 18318
5472 1 13 . 1 1 91 91 GLN C C 88 178.000 178.000 178.523 -0.523 18318
5473 1 13 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.437 -0.737 18318
5474 1 13 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.695 -0.695 18318
5475 1 13 . 1 1 91 91 GLN H H 88 8.380 8.380 8.424 -0.044 18318
5476 1 13 . 1 1 92 92 CYS N N 89 119.000 119.000 119.308 -0.308 18318
5477 1 13 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.078 -0.028 18318
5478 1 13 . 1 1 92 92 CYS C C 89 176.600 176.600 177.047 -0.447 18318
5479 1 13 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.171 -2.071 18318
5480 1 13 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.787 13.713 18318
5481 1 13 . 1 1 92 92 CYS H H 89 7.390 7.390 8.353 -0.963 18318
5482 1 13 . 1 1 93 93 ALA N N 90 122.900 122.900 121.016 1.884 18318
5483 1 13 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.999 -0.089 18318
5484 1 13 . 1 1 93 93 ALA C C 90 179.200 179.200 178.176 1.024 18318
5485 1 13 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.454 0.246 18318
5486 1 13 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.289 -0.489 18318
5487 1 13 . 1 1 93 93 ALA H H 90 8.410 8.410 7.864 0.546 18318
5488 1 13 . 1 1 94 94 GLU N N 91 115.800 115.800 117.401 -1.601 18318
5489 1 13 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.170 -0.020 18318
5490 1 13 . 1 1 94 94 GLU C C 91 177.400 177.400 178.202 -0.802 18318
5491 1 13 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.760 0.140 18318
5492 1 13 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.960 -0.560 18318
5493 1 13 . 1 1 94 94 GLU H H 91 7.880 7.880 7.539 0.341 18318
5494 1 13 . 1 1 95 95 GLN N N 92 115.500 115.500 118.935 -3.435 18318
5495 1 13 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.101 0.189 18318
5496 1 13 . 1 1 95 95 GLN C C 92 176.600 176.600 176.735 -0.135 18318
5497 1 13 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.819 -1.518 18318
5498 1 13 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.160 -0.260 18318
5499 1 13 . 1 1 95 95 GLN H H 92 7.450 7.450 7.722 -0.272 18318
5500 1 14 . 1 1 15 15 CYS N N 12 117.500 117.500 119.505 -2.005 18318
5501 1 14 . 1 1 15 15 CYS C C 12 175.500 175.500 175.534 -0.034 18318
5502 1 14 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.212 -4.511 18318
5503 1 14 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.618 7.082 18318
5504 1 14 . 1 1 15 15 CYS H H 12 8.280 8.280 8.783 -0.503 18318
5505 1 14 . 1 1 16 16 GLY N N 13 108.700 108.700 107.918 0.782 18318
5506 1 14 . 1 1 16 16 GLY C C 13 176.600 176.600 175.505 1.095 18318
5507 1 14 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.883 3.017 18318
5508 1 14 . 1 1 16 16 GLY H H 13 8.080 8.080 8.681 -0.601 18318
5509 1 14 . 1 1 17 17 ARG N N 14 123.300 123.300 120.677 2.623 18318
5510 1 14 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.041 -0.081 18318
5511 1 14 . 1 1 17 17 ARG C C 14 179.300 179.300 177.428 1.872 18318
5512 1 14 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.760 0.440 18318
5513 1 14 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.997 0.103 18318
5514 1 14 . 1 1 17 17 ARG H H 14 8.630 8.630 8.550 0.080 18318
5515 1 14 . 1 1 18 18 GLU N N 15 121.900 121.900 119.670 2.230 18318
5516 1 14 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.148 0.022 18318
5517 1 14 . 1 1 18 18 GLU C C 15 177.900 177.900 178.662 -0.762 18318
5518 1 14 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.945 2.155 18318
5519 1 14 . 1 1 18 18 GLU CB C 15 28.200 28.200 27.945 0.256 18318
5520 1 14 . 1 1 18 18 GLU H H 15 9.670 9.670 8.506 1.164 18318
5521 1 14 . 1 1 19 19 LEU N N 16 119.400 119.400 120.681 -1.281 18318
5522 1 14 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.406 2.494 18318
5523 1 14 . 1 1 19 19 LEU H H 16 8.090 8.090 7.524 0.566 18318
5524 1 14 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.052 -0.372 18318
5525 1 14 . 1 1 20 20 GLU C C 17 177.200 177.200 179.257 -2.057 18318
5526 1 14 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.773 -0.473 18318
5527 1 14 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.709 -0.709 18318
5528 1 14 . 1 1 21 21 GLN N N 18 118.500 118.500 118.400 0.100 18318
5529 1 14 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.205 -0.165 18318
5530 1 14 . 1 1 21 21 GLN C C 18 177.200 177.200 178.558 -1.358 18318
5531 1 14 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.093 0.907 18318
5532 1 14 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.901 -0.201 18318
5533 1 14 . 1 1 21 21 GLN H H 18 8.560 8.560 7.786 0.774 18318
5534 1 14 . 1 1 22 22 TYR N N 19 120.700 120.700 121.516 -0.816 18318
5535 1 14 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.495 -0.215 18318
5536 1 14 . 1 1 22 22 TYR C C 19 176.600 176.600 178.141 -1.541 18318
5537 1 14 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.026 1.074 18318
5538 1 14 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.289 0.611 18318
5539 1 14 . 1 1 22 22 TYR H H 19 8.120 8.120 9.082 -0.962 18318
5540 1 14 . 1 1 23 23 GLY N N 20 105.600 105.600 107.024 -1.424 18318
5541 1 14 . 1 1 23 23 GLY C C 20 176.700 176.700 176.075 0.625 18318
5542 1 14 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.766 0.334 18318
5543 1 14 . 1 1 23 23 GLY H H 20 8.390 8.390 7.649 0.741 18318
5544 1 14 . 1 1 24 24 GLN N N 21 120.300 120.300 121.241 -0.941 18318
5545 1 14 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.207 -0.157 18318
5546 1 14 . 1 1 24 24 GLN C C 21 178.000 178.000 178.352 -0.352 18318
5547 1 14 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.781 -0.181 18318
5548 1 14 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.695 -1.095 18318
5549 1 14 . 1 1 24 24 GLN H H 21 8.130 8.130 7.689 0.441 18318
5550 1 14 . 1 1 25 25 CYS N N 22 121.500 121.500 118.055 3.445 18318
5551 1 14 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.538 -0.258 18318
5552 1 14 . 1 1 25 25 CYS C C 22 175.400 175.400 177.883 -2.483 18318
5553 1 14 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.927 -2.327 18318
5554 1 14 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.682 13.218 18318
5555 1 14 . 1 1 25 25 CYS H H 22 7.610 7.610 8.553 -0.943 18318
5556 1 14 . 1 1 26 26 VAL N N 23 119.900 119.900 118.743 1.157 18318
5557 1 14 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.125 -0.335 18318
5558 1 14 . 1 1 26 26 VAL C C 23 177.100 177.100 176.952 0.148 18318
5559 1 14 . 1 1 26 26 VAL CA C 23 65.900 65.900 63.986 1.914 18318
5560 1 14 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.053 -1.753 18318
5561 1 14 . 1 1 26 26 VAL H H 23 8.040 8.040 7.599 0.441 18318
5562 1 14 . 1 1 27 27 ALA N N 24 117.400 117.400 121.680 -4.280 18318
5563 1 14 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.107 -0.007 18318
5564 1 14 . 1 1 27 27 ALA C C 24 178.600 178.600 178.964 -0.364 18318
5565 1 14 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.602 -0.502 18318
5566 1 14 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.608 -0.708 18318
5567 1 14 . 1 1 27 27 ALA H H 24 7.430 7.430 7.540 -0.110 18318
5568 1 14 . 1 1 28 28 ALA N N 25 116.100 116.100 121.174 -5.074 18318
5569 1 14 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.162 0.168 18318
5570 1 14 . 1 1 28 28 ALA C C 25 178.100 178.100 177.784 0.316 18318
5571 1 14 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.889 -1.289 18318
5572 1 14 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.590 -0.490 18318
5573 1 14 . 1 1 28 28 ALA H H 25 7.120 7.120 7.918 -0.798 18318
5574 1 14 . 1 1 29 29 LYS N N 26 119.200 119.200 113.331 5.869 18318
5575 1 14 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.191 5.509 18318
5576 1 14 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.017 -0.918 18318
5577 1 14 . 1 1 29 29 LYS H H 26 7.560 7.560 7.399 0.161 18318
5578 1 14 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.303 -0.093 18318
5579 1 14 . 1 1 30 30 PRO C C 27 177.000 177.000 177.595 -0.595 18318
5580 1 14 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.514 0.386 18318
5581 1 14 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.030 -0.430 18318
5582 1 14 . 1 1 31 31 GLU N N 28 114.600 114.600 117.881 -3.281 18318
5583 1 14 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.381 0.069 18318
5584 1 14 . 1 1 31 31 GLU C C 28 176.100 176.100 179.040 -2.940 18318
5585 1 14 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.431 -1.231 18318
5586 1 14 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.911 0.689 18318
5587 1 14 . 1 1 31 31 GLU H H 28 8.770 8.770 8.660 0.110 18318
5588 1 14 . 1 1 32 32 SER N N 29 111.000 111.000 114.807 -3.807 18318
5589 1 14 . 1 1 32 32 SER HA H 29 4.510 4.510 4.251 0.259 18318
5590 1 14 . 1 1 32 32 SER C C 29 176.600 176.600 175.965 0.635 18318
5591 1 14 . 1 1 32 32 SER CA C 29 58.500 58.500 60.122 -1.622 18318
5592 1 14 . 1 1 32 32 SER CB C 29 63.800 63.800 62.533 1.267 18318
5593 1 14 . 1 1 32 32 SER H H 29 7.750 7.750 8.556 -0.806 18318
5594 1 14 . 1 1 33 33 TRP N N 30 125.000 125.000 120.711 4.289 18318
5595 1 14 . 1 1 33 33 TRP C C 30 177.200 177.200 177.086 0.114 18318
5596 1 14 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.612 0.388 18318
5597 1 14 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.580 0.920 18318
5598 1 14 . 1 1 33 33 TRP H H 30 7.820 7.820 7.353 0.467 18318
5599 1 14 . 1 1 34 34 GLN N N 31 123.600 123.600 119.137 4.463 18318
5600 1 14 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.013 1.437 18318
5601 1 14 . 1 1 34 34 GLN C C 31 176.800 176.800 177.487 -0.687 18318
5602 1 14 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.722 2.178 18318
5603 1 14 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.383 -1.883 18318
5604 1 14 . 1 1 34 34 GLN H H 31 8.240 8.240 7.117 1.123 18318
5605 1 14 . 1 1 35 35 ARG N N 32 115.900 115.900 116.507 -0.607 18318
5606 1 14 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.178 0.102 18318
5607 1 14 . 1 1 35 35 ARG C C 32 178.900 178.900 177.884 1.016 18318
5608 1 14 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.434 -0.033 18318
5609 1 14 . 1 1 35 35 ARG CB C 32 31.300 31.300 29.989 1.311 18318
5610 1 14 . 1 1 35 35 ARG H H 32 7.450 7.450 7.238 0.212 18318
5611 1 14 . 1 1 36 36 ASP N N 33 117.700 117.700 118.939 -1.239 18318
5612 1 14 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.620 -0.480 18318
5613 1 14 . 1 1 36 36 ASP C C 33 177.600 177.600 176.322 1.278 18318
5614 1 14 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.365 0.835 18318
5615 1 14 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.972 -1.072 18318
5616 1 14 . 1 1 36 36 ASP H H 33 8.760 8.760 7.889 0.871 18318
5617 1 14 . 1 1 37 37 CYS N N 34 113.300 113.300 117.206 -3.906 18318
5618 1 14 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.930 0.470 18318
5619 1 14 . 1 1 37 37 CYS C C 34 175.800 175.800 174.869 0.931 18318
5620 1 14 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.427 -3.327 18318
5621 1 14 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.582 12.918 18318
5622 1 14 . 1 1 37 37 CYS H H 34 8.260 8.260 7.514 0.746 18318
5623 1 14 . 1 1 38 38 HIS N N 35 124.200 124.200 124.278 -0.078 18318
5624 1 14 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.322 0.028 18318
5625 1 14 . 1 1 38 38 HIS C C 35 177.400 177.400 176.255 1.145 18318
5626 1 14 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.224 1.776 18318
5627 1 14 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.946 -0.346 18318
5628 1 14 . 1 1 38 38 HIS H H 35 7.520 7.520 8.562 -1.042 18318
5629 1 14 . 1 1 39 39 TYR N N 36 117.100 117.100 118.048 -0.948 18318
5630 1 14 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.279 0.021 18318
5631 1 14 . 1 1 39 39 TYR C C 36 177.700 177.700 177.074 0.626 18318
5632 1 14 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.800 -1.200 18318
5633 1 14 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.161 -1.961 18318
5634 1 14 . 1 1 39 39 TYR H H 36 8.930 8.930 8.919 0.011 18318
5635 1 14 . 1 1 40 40 LEU N N 37 122.000 122.000 118.889 3.111 18318
5636 1 14 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.224 -0.054 18318
5637 1 14 . 1 1 40 40 LEU C C 37 179.400 179.400 179.031 0.369 18318
5638 1 14 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.095 -0.595 18318
5639 1 14 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.288 1.112 18318
5640 1 14 . 1 1 40 40 LEU H H 37 6.940 6.940 8.021 -1.081 18318
5641 1 14 . 1 1 41 41 LYS N N 38 125.300 125.300 119.226 6.074 18318
5642 1 14 . 1 1 41 41 LYS C C 38 179.600 179.600 179.252 0.348 18318
5643 1 14 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.573 0.027 18318
5644 1 14 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.927 -0.927 18318
5645 1 14 . 1 1 41 41 LYS H H 38 7.880 7.880 7.407 0.473 18318
5646 1 14 . 1 1 42 42 MET N N 39 117.600 117.600 117.605 -0.005 18318
5647 1 14 . 1 1 42 42 MET HA H 39 4.120 4.120 4.393 -0.273 18318
5648 1 14 . 1 1 42 42 MET C C 39 178.900 178.900 178.067 0.833 18318
5649 1 14 . 1 1 42 42 MET CA C 39 57.200 57.200 57.753 -0.553 18318
5650 1 14 . 1 1 42 42 MET CB C 39 30.000 30.000 32.670 -2.670 18318
5651 1 14 . 1 1 42 42 MET H H 39 8.090 8.090 7.615 0.475 18318
5652 1 14 . 1 1 43 43 SER N N 40 115.900 115.900 116.590 -0.690 18318
5653 1 14 . 1 1 43 43 SER HA H 40 4.290 4.290 4.342 -0.052 18318
5654 1 14 . 1 1 43 43 SER C C 40 177.400 177.400 176.423 0.977 18318
5655 1 14 . 1 1 43 43 SER CA C 40 61.700 61.700 62.017 -0.317 18318
5656 1 14 . 1 1 43 43 SER CB C 40 62.500 62.500 63.209 -0.709 18318
5657 1 14 . 1 1 43 43 SER H H 40 7.600 7.600 7.641 -0.041 18318
5658 1 14 . 1 1 44 44 ILE N N 41 121.900 121.900 117.962 3.938 18318
5659 1 14 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.920 -0.380 18318
5660 1 14 . 1 1 44 44 ILE C C 41 177.500 177.500 177.079 0.421 18318
5661 1 14 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.813 1.287 18318
5662 1 14 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.602 0.298 18318
5663 1 14 . 1 1 44 44 ILE H H 41 7.540 7.540 8.429 -0.889 18318
5664 1 14 . 1 1 45 45 ALA N N 42 122.600 122.600 121.637 0.963 18318
5665 1 14 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.949 0.231 18318
5666 1 14 . 1 1 45 45 ALA C C 42 180.200 180.200 179.397 0.803 18318
5667 1 14 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.827 -0.027 18318
5668 1 14 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.161 -0.861 18318
5669 1 14 . 1 1 45 45 ALA H H 42 7.420 7.420 7.847 -0.427 18318
5670 1 14 . 1 1 46 46 GLN N N 43 118.400 118.400 117.781 0.619 18318
5671 1 14 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.041 -0.071 18318
5672 1 14 . 1 1 46 46 GLN C C 43 178.500 178.500 178.834 -0.334 18318
5673 1 14 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.712 -0.012 18318
5674 1 14 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.747 -0.947 18318
5675 1 14 . 1 1 46 46 GLN H H 43 8.290 8.290 7.779 0.511 18318
5676 1 14 . 1 1 47 47 CYS N N 44 119.500 119.500 119.198 0.302 18318
5677 1 14 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.195 -0.105 18318
5678 1 14 . 1 1 47 47 CYS C C 44 176.500 176.500 177.198 -0.698 18318
5679 1 14 . 1 1 47 47 CYS CA C 44 60.300 60.300 63.162 -2.862 18318
5680 1 14 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.429 13.471 18318
5681 1 14 . 1 1 47 47 CYS H H 44 7.590 7.590 7.877 -0.287 18318
5682 1 14 . 1 1 48 48 THR N N 45 113.000 113.000 112.904 0.096 18318
5683 1 14 . 1 1 48 48 THR C C 45 175.900 175.900 175.365 0.535 18318
5684 1 14 . 1 1 48 48 THR CA C 45 65.400 65.400 64.233 1.167 18318
5685 1 14 . 1 1 48 48 THR CB C 45 68.800 68.800 68.664 0.136 18318
5686 1 14 . 1 1 48 48 THR H H 45 8.810 8.810 7.885 0.925 18318
5687 1 14 . 1 1 49 49 SER N N 46 113.200 113.200 116.622 -3.422 18318
5688 1 14 . 1 1 49 49 SER HA H 46 4.380 4.380 4.705 -0.325 18318
5689 1 14 . 1 1 49 49 SER C C 46 175.600 175.600 174.977 0.623 18318
5690 1 14 . 1 1 49 49 SER CA C 46 60.000 60.000 58.334 1.666 18318
5691 1 14 . 1 1 49 49 SER CB C 46 63.900 63.900 62.985 0.915 18318
5692 1 14 . 1 1 49 49 SER H H 46 7.890 7.890 7.730 0.160 18318
5693 1 14 . 1 1 50 50 SER N N 47 114.100 114.100 118.712 -4.612 18318
5694 1 14 . 1 1 50 50 SER HA H 47 4.390 4.390 4.277 0.113 18318
5695 1 14 . 1 1 50 50 SER CA C 47 59.100 59.100 60.950 -1.849 18318
5696 1 14 . 1 1 50 50 SER CB C 47 64.800 64.800 63.655 1.145 18318
5697 1 14 . 1 1 50 50 SER H H 47 7.770 7.770 7.542 0.228 18318
5698 1 14 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.156 0.434 18318
5699 1 14 . 1 1 55 55 ARG C C 52 178.500 178.500 178.096 0.404 18318
5700 1 14 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.562 1.438 18318
5701 1 14 . 1 1 56 56 GLN N N 53 117.700 117.700 119.218 -1.518 18318
5702 1 14 . 1 1 56 56 GLN C C 53 175.000 175.000 178.664 -3.664 18318
5703 1 14 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.986 1.214 18318
5704 1 14 . 1 1 56 56 GLN H H 53 8.110 8.110 8.178 -0.068 18318
5705 1 14 . 1 1 57 57 ILE N N 54 121.200 121.200 115.061 6.139 18318
5706 1 14 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.868 -0.548 18318
5707 1 14 . 1 1 57 57 ILE C C 54 178.700 178.700 177.918 0.782 18318
5708 1 14 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.302 1.698 18318
5709 1 14 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.486 0.214 18318
5710 1 14 . 1 1 57 57 ILE H H 54 7.820 7.820 8.032 -0.212 18318
5711 1 14 . 1 1 58 58 ARG N N 55 118.900 118.900 119.953 -1.053 18318
5712 1 14 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.078 0.232 18318
5713 1 14 . 1 1 58 58 ARG C C 55 178.600 178.600 178.066 0.534 18318
5714 1 14 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.791 1.109 18318
5715 1 14 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.867 1.633 18318
5716 1 14 . 1 1 58 58 ARG H H 55 8.250 8.250 7.438 0.812 18318
5717 1 14 . 1 1 59 59 GLN N N 56 115.800 115.800 119.493 -3.693 18318
5718 1 14 . 1 1 59 59 GLN C C 56 178.100 178.100 177.086 1.014 18318
5719 1 14 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.294 -0.294 18318
5720 1 14 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.274 0.526 18318
5721 1 14 . 1 1 59 59 GLN H H 56 7.920 7.920 7.767 0.153 18318
5722 1 14 . 1 1 60 60 ALA N N 57 121.600 121.600 121.038 0.562 18318
5723 1 14 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.092 0.088 18318
5724 1 14 . 1 1 60 60 ALA C C 57 179.600 179.600 177.826 1.774 18318
5725 1 14 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.586 0.914 18318
5726 1 14 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.271 -0.371 18318
5727 1 14 . 1 1 60 60 ALA H H 57 8.490 8.490 7.714 0.776 18318
5728 1 14 . 1 1 61 61 CYS N N 58 114.000 114.000 117.347 -3.347 18318
5729 1 14 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.499 0.631 18318
5730 1 14 . 1 1 61 61 CYS C C 58 175.000 175.000 174.238 0.762 18318
5731 1 14 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.224 -6.524 18318
5732 1 14 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.576 13.224 18318
5733 1 14 . 1 1 61 61 CYS H H 58 8.370 8.370 7.829 0.541 18318
5734 1 14 . 1 1 62 62 ALA N N 59 124.900 124.900 127.863 -2.963 18318
5735 1 14 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.374 -0.104 18318
5736 1 14 . 1 1 62 62 ALA C C 59 179.200 179.200 178.912 0.288 18318
5737 1 14 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.942 2.558 18318
5738 1 14 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.761 -0.961 18318
5739 1 14 . 1 1 62 62 ALA H H 59 7.200 7.200 8.595 -1.395 18318
5740 1 14 . 1 1 63 63 GLN N N 60 115.800 115.800 120.204 -4.404 18318
5741 1 14 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.209 0.271 18318
5742 1 14 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.170 0.030 18318
5743 1 14 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.651 -1.951 18318
5744 1 14 . 1 1 63 63 GLN H H 60 9.040 9.040 8.761 0.279 18318
5745 1 14 . 1 1 64 64 PRO C C 61 179.700 179.700 178.502 1.198 18318
5746 1 14 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.364 0.236 18318
5747 1 14 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.596 -0.796 18318
5748 1 14 . 1 1 65 65 PHE N N 62 120.500 120.500 119.555 0.945 18318
5749 1 14 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.389 -0.109 18318
5750 1 14 . 1 1 65 65 PHE C C 62 176.400 176.400 177.360 -0.960 18318
5751 1 14 . 1 1 65 65 PHE CA C 62 62.400 62.400 61.314 1.086 18318
5752 1 14 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.494 -0.894 18318
5753 1 14 . 1 1 65 65 PHE H H 62 8.500 8.500 7.993 0.507 18318
5754 1 14 . 1 1 66 66 GLU N N 63 120.200 120.200 119.913 0.287 18318
5755 1 14 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.226 -0.196 18318
5756 1 14 . 1 1 66 66 GLU C C 63 179.300 179.300 178.720 0.580 18318
5757 1 14 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.715 0.485 18318
5758 1 14 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.329 -0.829 18318
5759 1 14 . 1 1 66 66 GLU H H 63 8.900 8.900 8.645 0.255 18318
5760 1 14 . 1 1 67 67 ALA N N 64 120.600 120.600 122.952 -2.352 18318
5761 1 14 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.108 -0.238 18318
5762 1 14 . 1 1 67 67 ALA C C 64 180.500 180.500 179.005 1.495 18318
5763 1 14 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.088 -0.388 18318
5764 1 14 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.419 -0.319 18318
5765 1 14 . 1 1 67 67 ALA H H 64 8.150 8.150 7.449 0.701 18318
5766 1 14 . 1 1 68 68 PHE N N 65 120.000 120.000 120.236 -0.236 18318
5767 1 14 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.153 0.167 18318
5768 1 14 . 1 1 68 68 PHE C C 65 175.400 175.400 177.400 -2.000 18318
5769 1 14 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.592 -0.792 18318
5770 1 14 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.873 -0.873 18318
5771 1 14 . 1 1 68 68 PHE H H 65 7.810 7.810 7.740 0.070 18318
5772 1 14 . 1 1 69 69 GLU N N 66 119.400 119.400 118.361 1.039 18318
5773 1 14 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.536 0.634 18318
5774 1 14 . 1 1 69 69 GLU C C 66 178.800 178.800 178.537 0.263 18318
5775 1 14 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.541 0.659 18318
5776 1 14 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.315 -0.215 18318
5777 1 14 . 1 1 69 69 GLU H H 66 8.330 8.330 7.911 0.419 18318
5778 1 14 . 1 1 70 70 GLU N N 67 118.600 118.600 118.932 -0.332 18318
5779 1 14 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.070 -0.100 18318
5780 1 14 . 1 1 70 70 GLU C C 67 177.700 177.700 177.872 -0.172 18318
5781 1 14 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.020 -0.220 18318
5782 1 14 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.704 -1.004 18318
5783 1 14 . 1 1 70 70 GLU H H 67 8.240 8.240 7.723 0.517 18318
5784 1 14 . 1 1 71 71 CYS N N 68 119.100 119.100 119.067 0.033 18318
5785 1 14 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.163 -0.083 18318
5786 1 14 . 1 1 71 71 CYS C C 68 177.900 177.900 177.031 0.869 18318
5787 1 14 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.112 -2.512 18318
5788 1 14 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.294 12.706 18318
5789 1 14 . 1 1 71 71 CYS H H 68 7.580 7.580 7.718 -0.138 18318
5790 1 14 . 1 1 72 72 LEU N N 69 122.000 122.000 118.920 3.080 18318
5791 1 14 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.171 -0.471 18318
5792 1 14 . 1 1 72 72 LEU C C 69 179.300 179.300 178.913 0.387 18318
5793 1 14 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.254 0.346 18318
5794 1 14 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.268 -0.268 18318
5795 1 14 . 1 1 72 72 LEU H H 69 8.090 8.090 7.511 0.579 18318
5796 1 14 . 1 1 73 73 ARG N N 70 117.400 117.400 118.318 -0.918 18318
5797 1 14 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.931 0.079 18318
5798 1 14 . 1 1 73 73 ARG C C 70 178.500 178.500 178.261 0.239 18318
5799 1 14 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.769 -0.069 18318
5800 1 14 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.663 0.437 18318
5801 1 14 . 1 1 73 73 ARG H H 70 7.600 7.600 7.523 0.077 18318
5802 1 14 . 1 1 74 74 GLN N N 71 115.800 115.800 114.569 1.231 18318
5803 1 14 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.387 -0.097 18318
5804 1 14 . 1 1 74 74 GLN C C 71 176.200 176.200 176.030 0.170 18318
5805 1 14 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.742 -0.341 18318
5806 1 14 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.843 -1.643 18318
5807 1 14 . 1 1 74 74 GLN H H 71 7.580 7.580 7.561 0.019 18318
5808 1 14 . 1 1 75 75 ASN N N 72 118.600 118.600 117.292 1.308 18318
5809 1 14 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.005 -0.015 18318
5810 1 14 . 1 1 75 75 ASN C C 72 174.800 174.800 174.869 -0.069 18318
5811 1 14 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.713 0.287 18318
5812 1 14 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.700 1.100 18318
5813 1 14 . 1 1 75 75 ASN H H 72 7.750 7.750 8.245 -0.495 18318
5814 1 14 . 1 1 76 76 GLU N N 73 120.200 120.200 122.524 -2.324 18318
5815 1 14 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.852 0.108 18318
5816 1 14 . 1 1 76 76 GLU C C 73 176.800 176.800 176.892 -0.092 18318
5817 1 14 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.647 -0.447 18318
5818 1 14 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.781 -0.681 18318
5819 1 14 . 1 1 76 76 GLU H H 73 7.950 7.950 8.048 -0.098 18318
5820 1 14 . 1 1 77 77 ALA N N 74 119.200 119.200 118.648 0.552 18318
5821 1 14 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.465 -0.105 18318
5822 1 14 . 1 1 77 77 ALA C C 74 175.400 175.400 176.950 -1.550 18318
5823 1 14 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.889 0.211 18318
5824 1 14 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.827 0.373 18318
5825 1 14 . 1 1 77 77 ALA H H 74 8.320 8.320 8.061 0.259 18318
5826 1 14 . 1 1 78 78 ALA N N 75 124.400 124.400 121.636 2.764 18318
5827 1 14 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.566 -0.186 18318
5828 1 14 . 1 1 78 78 ALA C C 75 177.200 177.200 177.670 -0.470 18318
5829 1 14 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.730 -0.330 18318
5830 1 14 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.993 -1.993 18318
5831 1 14 . 1 1 78 78 ALA H H 75 7.900 7.900 7.533 0.367 18318
5832 1 14 . 1 1 79 79 VAL N N 76 118.400 118.400 121.065 -2.665 18318
5833 1 14 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.633 0.157 18318
5834 1 14 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.813 -0.713 18318
5835 1 14 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.505 -0.205 18318
5836 1 14 . 1 1 79 79 VAL H H 76 8.100 8.100 8.285 -0.185 18318
5837 1 14 . 1 1 80 80 GLY C C 77 175.900 175.900 174.984 0.916 18318
5838 1 14 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.842 -0.442 18318
5839 1 14 . 1 1 81 81 ASN N N 78 119.300 119.300 118.130 1.170 18318
5840 1 14 . 1 1 81 81 ASN HA H 78 4.600 4.600 5.001 -0.401 18318
5841 1 14 . 1 1 81 81 ASN C C 78 176.700 176.700 173.598 3.102 18318
5842 1 14 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.027 1.473 18318
5843 1 14 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.781 -2.481 18318
5844 1 14 . 1 1 81 81 ASN H H 78 8.200 8.200 7.839 0.361 18318
5845 1 14 . 1 1 82 82 CYS N N 79 117.200 117.200 117.972 -0.772 18318
5846 1 14 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.747 0.653 18318
5847 1 14 . 1 1 82 82 CYS C C 79 175.800 175.800 172.559 3.241 18318
5848 1 14 . 1 1 82 82 CYS CA C 79 53.500 53.500 58.872 -5.372 18318
5849 1 14 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.046 9.254 18318
5850 1 14 . 1 1 82 82 CYS H H 79 8.330 8.330 8.166 0.164 18318
5851 1 14 . 1 1 83 83 ALA N N 80 125.000 125.000 129.025 -4.025 18318
5852 1 14 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.853 -0.703 18318
5853 1 14 . 1 1 83 83 ALA C C 80 179.900 179.900 176.729 3.171 18318
5854 1 14 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.428 3.772 18318
5855 1 14 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.721 -1.520 18318
5856 1 14 . 1 1 83 83 ALA H H 80 7.700 7.700 8.379 -0.679 18318
5857 1 14 . 1 1 84 84 GLU N N 81 118.900 118.900 121.036 -2.136 18318
5858 1 14 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.148 -0.198 18318
5859 1 14 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.738 0.262 18318
5860 1 14 . 1 1 84 84 GLU CB C 81 28.900 28.900 30.127 -1.227 18318
5861 1 14 . 1 1 84 84 GLU H H 81 8.920 8.920 9.108 -0.188 18318
5862 1 14 . 1 1 85 85 HIS C C 82 178.500 178.500 176.416 2.084 18318
5863 1 14 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.631 -1.531 18318
5864 1 14 . 1 1 86 86 MET N N 83 118.800 118.800 117.908 0.892 18318
5865 1 14 . 1 1 86 86 MET C C 83 177.200 177.200 178.021 -0.821 18318
5866 1 14 . 1 1 86 86 MET CA C 83 58.900 58.900 58.495 0.405 18318
5867 1 14 . 1 1 86 86 MET CB C 83 31.300 31.300 32.204 -0.904 18318
5868 1 14 . 1 1 86 86 MET H H 83 7.460 7.460 7.144 0.316 18318
5869 1 14 . 1 1 87 87 ARG N N 84 119.500 119.500 118.367 1.133 18318
5870 1 14 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.009 -0.099 18318
5871 1 14 . 1 1 87 87 ARG C C 84 178.600 178.600 178.679 -0.079 18318
5872 1 14 . 1 1 87 87 ARG CA C 84 59.900 59.900 59.167 0.733 18318
5873 1 14 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.894 -0.394 18318
5874 1 14 . 1 1 87 87 ARG H H 84 8.220 8.220 7.730 0.490 18318
5875 1 14 . 1 1 88 88 ARG N N 85 117.900 117.900 119.782 -1.882 18318
5876 1 14 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.966 -0.046 18318
5877 1 14 . 1 1 88 88 ARG C C 85 179.700 179.700 178.305 1.395 18318
5878 1 14 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.983 -0.483 18318
5879 1 14 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.905 0.095 18318
5880 1 14 . 1 1 88 88 ARG H H 85 8.100 8.100 7.656 0.444 18318
5881 1 14 . 1 1 89 89 PHE N N 86 119.700 119.700 120.306 -0.606 18318
5882 1 14 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.229 0.121 18318
5883 1 14 . 1 1 89 89 PHE C C 86 175.600 175.600 177.043 -1.443 18318
5884 1 14 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.228 -0.128 18318
5885 1 14 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.104 -1.304 18318
5886 1 14 . 1 1 89 89 PHE H H 86 7.930 7.930 7.535 0.395 18318
5887 1 14 . 1 1 90 90 LEU N N 87 120.400 120.400 119.217 1.183 18318
5888 1 14 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.896 -0.186 18318
5889 1 14 . 1 1 90 90 LEU C C 87 179.200 179.200 178.904 0.296 18318
5890 1 14 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.695 0.005 18318
5891 1 14 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.930 -1.630 18318
5892 1 14 . 1 1 90 90 LEU H H 87 8.640 8.640 7.597 1.043 18318
5893 1 14 . 1 1 91 91 GLN N N 88 118.200 118.200 119.050 -0.850 18318
5894 1 14 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.042 -0.002 18318
5895 1 14 . 1 1 91 91 GLN C C 88 178.000 178.000 178.388 -0.388 18318
5896 1 14 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.668 0.032 18318
5897 1 14 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.662 -0.662 18318
5898 1 14 . 1 1 91 91 GLN H H 88 8.380 8.380 8.117 0.263 18318
5899 1 14 . 1 1 92 92 CYS N N 89 119.000 119.000 117.680 1.320 18318
5900 1 14 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.313 -0.263 18318
5901 1 14 . 1 1 92 92 CYS C C 89 176.600 176.600 177.286 -0.686 18318
5902 1 14 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.581 -1.481 18318
5903 1 14 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.931 13.569 18318
5904 1 14 . 1 1 92 92 CYS H H 89 7.390 7.390 8.099 -0.709 18318
5905 1 14 . 1 1 93 93 ALA N N 90 122.900 122.900 121.628 1.272 18318
5906 1 14 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.954 -0.044 18318
5907 1 14 . 1 1 93 93 ALA C C 90 179.200 179.200 178.418 0.782 18318
5908 1 14 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.347 0.353 18318
5909 1 14 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.183 -0.383 18318
5910 1 14 . 1 1 93 93 ALA H H 90 8.410 8.410 8.210 0.200 18318
5911 1 14 . 1 1 94 94 GLU N N 91 115.800 115.800 118.458 -2.658 18318
5912 1 14 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.064 0.086 18318
5913 1 14 . 1 1 94 94 GLU C C 91 177.400 177.400 178.363 -0.963 18318
5914 1 14 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.807 0.093 18318
5915 1 14 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.627 -0.227 18318
5916 1 14 . 1 1 94 94 GLU H H 91 7.880 7.880 7.520 0.360 18318
5917 1 14 . 1 1 95 95 GLN N N 92 115.500 115.500 118.524 -3.024 18318
5918 1 14 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.168 0.122 18318
5919 1 14 . 1 1 95 95 GLN C C 92 176.600 176.600 176.214 0.386 18318
5920 1 14 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.844 -1.544 18318
5921 1 14 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.630 -0.730 18318
5922 1 14 . 1 1 95 95 GLN H H 92 7.450 7.450 7.888 -0.438 18318
5923 1 15 . 1 1 15 15 CYS N N 12 117.500 117.500 120.246 -2.746 18318
5924 1 15 . 1 1 15 15 CYS C C 12 175.500 175.500 175.678 -0.178 18318
5925 1 15 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.307 -4.607 18318
5926 1 15 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.991 6.709 18318
5927 1 15 . 1 1 15 15 CYS H H 12 8.280 8.280 8.460 -0.180 18318
5928 1 15 . 1 1 16 16 GLY N N 13 108.700 108.700 109.254 -0.554 18318
5929 1 15 . 1 1 16 16 GLY C C 13 176.600 176.600 174.993 1.607 18318
5930 1 15 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.147 2.753 18318
5931 1 15 . 1 1 16 16 GLY H H 13 8.080 8.080 8.821 -0.741 18318
5932 1 15 . 1 1 17 17 ARG N N 14 123.300 123.300 118.745 4.555 18318
5933 1 15 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.546 -0.586 18318
5934 1 15 . 1 1 17 17 ARG C C 14 179.300 179.300 177.063 2.237 18318
5935 1 15 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.190 4.010 18318
5936 1 15 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.418 0.682 18318
5937 1 15 . 1 1 17 17 ARG H H 14 8.630 8.630 8.105 0.525 18318
5938 1 15 . 1 1 18 18 GLU N N 15 121.900 121.900 121.473 0.427 18318
5939 1 15 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.317 -0.147 18318
5940 1 15 . 1 1 18 18 GLU C C 15 177.900 177.900 177.546 0.354 18318
5941 1 15 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.985 2.115 18318
5942 1 15 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.451 -1.251 18318
5943 1 15 . 1 1 18 18 GLU H H 15 9.670 9.670 7.739 1.931 18318
5944 1 15 . 1 1 19 19 LEU N N 16 119.400 119.400 120.816 -1.416 18318
5945 1 15 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.593 2.307 18318
5946 1 15 . 1 1 19 19 LEU H H 16 8.090 8.090 8.435 -0.345 18318
5947 1 15 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.994 -0.314 18318
5948 1 15 . 1 1 20 20 GLU C C 17 177.200 177.200 179.204 -2.004 18318
5949 1 15 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.477 -0.177 18318
5950 1 15 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.564 -0.564 18318
5951 1 15 . 1 1 21 21 GLN N N 18 118.500 118.500 118.939 -0.439 18318
5952 1 15 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.215 -0.175 18318
5953 1 15 . 1 1 21 21 GLN C C 18 177.200 177.200 178.536 -1.336 18318
5954 1 15 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.482 0.518 18318
5955 1 15 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.992 -0.292 18318
5956 1 15 . 1 1 21 21 GLN H H 18 8.560 8.560 7.657 0.903 18318
5957 1 15 . 1 1 22 22 TYR N N 19 120.700 120.700 120.536 0.164 18318
5958 1 15 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.300 -0.020 18318
5959 1 15 . 1 1 22 22 TYR C C 19 176.600 176.600 177.874 -1.274 18318
5960 1 15 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.295 1.805 18318
5961 1 15 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.000 0.900 18318
5962 1 15 . 1 1 22 22 TYR H H 19 8.120 8.120 9.091 -0.971 18318
5963 1 15 . 1 1 23 23 GLY N N 20 105.600 105.600 106.610 -1.010 18318
5964 1 15 . 1 1 23 23 GLY C C 20 176.700 176.700 175.897 0.803 18318
5965 1 15 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.874 0.226 18318
5966 1 15 . 1 1 23 23 GLY H H 20 8.390 8.390 7.780 0.610 18318
5967 1 15 . 1 1 24 24 GLN N N 21 120.300 120.300 119.952 0.348 18318
5968 1 15 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.152 -0.102 18318
5969 1 15 . 1 1 24 24 GLN C C 21 178.000 178.000 178.329 -0.329 18318
5970 1 15 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.513 0.087 18318
5971 1 15 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.888 -1.288 18318
5972 1 15 . 1 1 24 24 GLN H H 21 8.130 8.130 7.726 0.404 18318
5973 1 15 . 1 1 25 25 CYS N N 22 121.500 121.500 118.757 2.743 18318
5974 1 15 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.405 -0.125 18318
5975 1 15 . 1 1 25 25 CYS C C 22 175.400 175.400 177.187 -1.787 18318
5976 1 15 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.730 -2.130 18318
5977 1 15 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.290 12.610 18318
5978 1 15 . 1 1 25 25 CYS H H 22 7.610 7.610 8.094 -0.484 18318
5979 1 15 . 1 1 26 26 VAL N N 23 119.900 119.900 120.064 -0.164 18318
5980 1 15 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.163 -0.373 18318
5981 1 15 . 1 1 26 26 VAL C C 23 177.100 177.100 176.861 0.239 18318
5982 1 15 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.933 0.967 18318
5983 1 15 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.057 -2.757 18318
5984 1 15 . 1 1 26 26 VAL H H 23 8.040 8.040 8.163 -0.123 18318
5985 1 15 . 1 1 27 27 ALA N N 24 117.400 117.400 120.622 -3.222 18318
5986 1 15 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.087 0.013 18318
5987 1 15 . 1 1 27 27 ALA C C 24 178.600 178.600 177.602 0.998 18318
5988 1 15 . 1 1 27 27 ALA CA C 24 54.100 54.100 53.970 0.130 18318
5989 1 15 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.732 -0.832 18318
5990 1 15 . 1 1 27 27 ALA H H 24 7.430 7.430 7.652 -0.222 18318
5991 1 15 . 1 1 28 28 ALA N N 25 116.100 116.100 120.144 -4.044 18318
5992 1 15 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.385 -0.055 18318
5993 1 15 . 1 1 28 28 ALA C C 25 178.100 178.100 177.417 0.683 18318
5994 1 15 . 1 1 28 28 ALA CA C 25 52.600 52.600 52.995 -0.395 18318
5995 1 15 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.666 -1.566 18318
5996 1 15 . 1 1 28 28 ALA H H 25 7.120 7.120 7.522 -0.402 18318
5997 1 15 . 1 1 29 29 LYS N N 26 119.200 119.200 115.726 3.474 18318
5998 1 15 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.726 4.974 18318
5999 1 15 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.929 -2.829 18318
6000 1 15 . 1 1 29 29 LYS H H 26 7.560 7.560 7.768 -0.208 18318
6001 1 15 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.323 -0.113 18318
6002 1 15 . 1 1 30 30 PRO C C 27 177.000 177.000 178.188 -1.188 18318
6003 1 15 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.502 0.398 18318
6004 1 15 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.974 -0.374 18318
6005 1 15 . 1 1 31 31 GLU N N 28 114.600 114.600 118.147 -3.547 18318
6006 1 15 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.339 0.111 18318
6007 1 15 . 1 1 31 31 GLU C C 28 176.100 176.100 178.139 -2.039 18318
6008 1 15 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.081 -0.881 18318
6009 1 15 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.386 1.214 18318
6010 1 15 . 1 1 31 31 GLU H H 28 8.770 8.770 8.917 -0.147 18318
6011 1 15 . 1 1 32 32 SER N N 29 111.000 111.000 116.144 -5.144 18318
6012 1 15 . 1 1 32 32 SER HA H 29 4.510 4.510 4.319 0.191 18318
6013 1 15 . 1 1 32 32 SER C C 29 176.600 176.600 176.097 0.503 18318
6014 1 15 . 1 1 32 32 SER CA C 29 58.500 58.500 60.316 -1.816 18318
6015 1 15 . 1 1 32 32 SER CB C 29 63.800 63.800 62.608 1.192 18318
6016 1 15 . 1 1 32 32 SER H H 29 7.750 7.750 8.356 -0.606 18318
6017 1 15 . 1 1 33 33 TRP N N 30 125.000 125.000 124.391 0.609 18318
6018 1 15 . 1 1 33 33 TRP C C 30 177.200 177.200 177.869 -0.669 18318
6019 1 15 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.508 -0.508 18318
6020 1 15 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.855 0.645 18318
6021 1 15 . 1 1 33 33 TRP H H 30 7.820 7.820 7.833 -0.013 18318
6022 1 15 . 1 1 34 34 GLN N N 31 123.600 123.600 117.309 6.291 18318
6023 1 15 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.061 0.389 18318
6024 1 15 . 1 1 34 34 GLN C C 31 176.800 176.800 178.366 -1.566 18318
6025 1 15 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.972 1.928 18318
6026 1 15 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.846 -2.346 18318
6027 1 15 . 1 1 34 34 GLN H H 31 8.240 8.240 7.620 0.620 18318
6028 1 15 . 1 1 35 35 ARG N N 32 115.900 115.900 119.034 -3.134 18318
6029 1 15 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.110 0.170 18318
6030 1 15 . 1 1 35 35 ARG C C 32 178.900 178.900 178.414 0.486 18318
6031 1 15 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.305 -1.905 18318
6032 1 15 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.182 1.118 18318
6033 1 15 . 1 1 35 35 ARG H H 32 7.450 7.450 7.655 -0.205 18318
6034 1 15 . 1 1 36 36 ASP N N 33 117.700 117.700 119.348 -1.648 18318
6035 1 15 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.665 -0.525 18318
6036 1 15 . 1 1 36 36 ASP C C 33 177.600 177.600 177.358 0.242 18318
6037 1 15 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.671 0.529 18318
6038 1 15 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.910 -1.010 18318
6039 1 15 . 1 1 36 36 ASP H H 33 8.760 8.760 8.306 0.454 18318
6040 1 15 . 1 1 37 37 CYS N N 34 113.300 113.300 118.975 -5.675 18318
6041 1 15 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.793 0.607 18318
6042 1 15 . 1 1 37 37 CYS C C 34 175.800 175.800 174.607 1.193 18318
6043 1 15 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.380 -5.280 18318
6044 1 15 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.352 14.148 18318
6045 1 15 . 1 1 37 37 CYS H H 34 8.260 8.260 7.776 0.484 18318
6046 1 15 . 1 1 38 38 HIS N N 35 124.200 124.200 124.726 -0.526 18318
6047 1 15 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.517 -0.167 18318
6048 1 15 . 1 1 38 38 HIS C C 35 177.400 177.400 176.485 0.915 18318
6049 1 15 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.690 1.310 18318
6050 1 15 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.011 -0.411 18318
6051 1 15 . 1 1 38 38 HIS H H 35 7.520 7.520 8.029 -0.509 18318
6052 1 15 . 1 1 39 39 TYR N N 36 117.100 117.100 119.068 -1.968 18318
6053 1 15 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.265 0.035 18318
6054 1 15 . 1 1 39 39 TYR C C 36 177.700 177.700 177.860 -0.160 18318
6055 1 15 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.838 -1.238 18318
6056 1 15 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.032 -1.832 18318
6057 1 15 . 1 1 39 39 TYR H H 36 8.930 8.930 8.742 0.188 18318
6058 1 15 . 1 1 40 40 LEU N N 37 122.000 122.000 118.541 3.459 18318
6059 1 15 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.993 0.177 18318
6060 1 15 . 1 1 40 40 LEU C C 37 179.400 179.400 178.771 0.629 18318
6061 1 15 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.979 -1.479 18318
6062 1 15 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.148 1.252 18318
6063 1 15 . 1 1 40 40 LEU H H 37 6.940 6.940 8.518 -1.578 18318
6064 1 15 . 1 1 41 41 LYS N N 38 125.300 125.300 118.742 6.558 18318
6065 1 15 . 1 1 41 41 LYS C C 38 179.600 179.600 179.197 0.403 18318
6066 1 15 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.190 0.410 18318
6067 1 15 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.701 -0.701 18318
6068 1 15 . 1 1 41 41 LYS H H 38 7.880 7.880 7.366 0.514 18318
6069 1 15 . 1 1 42 42 MET N N 39 117.600 117.600 117.682 -0.082 18318
6070 1 15 . 1 1 42 42 MET HA H 39 4.120 4.120 4.293 -0.173 18318
6071 1 15 . 1 1 42 42 MET C C 39 178.900 178.900 178.078 0.822 18318
6072 1 15 . 1 1 42 42 MET CA C 39 57.200 57.200 57.222 -0.022 18318
6073 1 15 . 1 1 42 42 MET CB C 39 30.000 30.000 32.421 -2.421 18318
6074 1 15 . 1 1 42 42 MET H H 39 8.090 8.090 7.691 0.399 18318
6075 1 15 . 1 1 43 43 SER N N 40 115.900 115.900 116.493 -0.593 18318
6076 1 15 . 1 1 43 43 SER HA H 40 4.290 4.290 4.360 -0.070 18318
6077 1 15 . 1 1 43 43 SER C C 40 177.400 177.400 176.421 0.979 18318
6078 1 15 . 1 1 43 43 SER CA C 40 61.700 61.700 62.203 -0.503 18318
6079 1 15 . 1 1 43 43 SER CB C 40 62.500 62.500 63.510 -1.010 18318
6080 1 15 . 1 1 43 43 SER H H 40 7.600 7.600 7.924 -0.324 18318
6081 1 15 . 1 1 44 44 ILE N N 41 121.900 121.900 118.886 3.014 18318
6082 1 15 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.777 -0.237 18318
6083 1 15 . 1 1 44 44 ILE C C 41 177.500 177.500 177.363 0.137 18318
6084 1 15 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.466 1.634 18318
6085 1 15 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.392 0.509 18318
6086 1 15 . 1 1 44 44 ILE H H 41 7.540 7.540 8.455 -0.915 18318
6087 1 15 . 1 1 45 45 ALA N N 42 122.600 122.600 122.375 0.225 18318
6088 1 15 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.999 0.181 18318
6089 1 15 . 1 1 45 45 ALA C C 42 180.200 180.200 179.497 0.703 18318
6090 1 15 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.068 -0.268 18318
6091 1 15 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.468 -1.168 18318
6092 1 15 . 1 1 45 45 ALA H H 42 7.420 7.420 7.874 -0.454 18318
6093 1 15 . 1 1 46 46 GLN N N 43 118.400 118.400 116.617 1.783 18318
6094 1 15 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.112 -0.142 18318
6095 1 15 . 1 1 46 46 GLN C C 43 178.500 178.500 177.894 0.606 18318
6096 1 15 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.656 0.044 18318
6097 1 15 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.189 -0.389 18318
6098 1 15 . 1 1 46 46 GLN H H 43 8.290 8.290 7.895 0.395 18318
6099 1 15 . 1 1 47 47 CYS N N 44 119.500 119.500 119.539 -0.039 18318
6100 1 15 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.161 -0.071 18318
6101 1 15 . 1 1 47 47 CYS C C 44 176.500 176.500 177.155 -0.655 18318
6102 1 15 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.710 -2.410 18318
6103 1 15 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.331 13.569 18318
6104 1 15 . 1 1 47 47 CYS H H 44 7.590 7.590 7.641 -0.051 18318
6105 1 15 . 1 1 48 48 THR N N 45 113.000 113.000 113.396 -0.396 18318
6106 1 15 . 1 1 48 48 THR C C 45 175.900 175.900 176.068 -0.168 18318
6107 1 15 . 1 1 48 48 THR CA C 45 65.400 65.400 65.275 0.125 18318
6108 1 15 . 1 1 48 48 THR CB C 45 68.800 68.800 68.679 0.121 18318
6109 1 15 . 1 1 48 48 THR H H 45 8.810 8.810 7.732 1.078 18318
6110 1 15 . 1 1 49 49 SER N N 46 113.200 113.200 117.030 -3.830 18318
6111 1 15 . 1 1 49 49 SER HA H 46 4.380 4.380 4.253 0.127 18318
6112 1 15 . 1 1 49 49 SER C C 46 175.600 175.600 176.508 -0.908 18318
6113 1 15 . 1 1 49 49 SER CA C 46 60.000 60.000 60.794 -0.794 18318
6114 1 15 . 1 1 49 49 SER CB C 46 63.900 63.900 63.556 0.344 18318
6115 1 15 . 1 1 49 49 SER H H 46 7.890 7.890 7.992 -0.102 18318
6116 1 15 . 1 1 50 50 SER N N 47 114.100 114.100 116.931 -2.831 18318
6117 1 15 . 1 1 50 50 SER HA H 47 4.390 4.390 4.292 0.098 18318
6118 1 15 . 1 1 50 50 SER CA C 47 59.100 59.100 60.276 -1.176 18318
6119 1 15 . 1 1 50 50 SER CB C 47 64.800 64.800 63.766 1.034 18318
6120 1 15 . 1 1 50 50 SER H H 47 7.770 7.770 7.799 -0.029 18318
6121 1 15 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.108 0.482 18318
6122 1 15 . 1 1 55 55 ARG C C 52 178.500 178.500 178.205 0.295 18318
6123 1 15 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.843 1.157 18318
6124 1 15 . 1 1 56 56 GLN N N 53 117.700 117.700 119.335 -1.635 18318
6125 1 15 . 1 1 56 56 GLN C C 53 175.000 175.000 178.498 -3.498 18318
6126 1 15 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.852 1.348 18318
6127 1 15 . 1 1 56 56 GLN H H 53 8.110 8.110 7.483 0.627 18318
6128 1 15 . 1 1 57 57 ILE N N 54 121.200 121.200 116.384 4.816 18318
6129 1 15 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.944 -0.624 18318
6130 1 15 . 1 1 57 57 ILE C C 54 178.700 178.700 177.211 1.489 18318
6131 1 15 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.739 2.261 18318
6132 1 15 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.585 0.115 18318
6133 1 15 . 1 1 57 57 ILE H H 54 7.820 7.820 7.673 0.147 18318
6134 1 15 . 1 1 58 58 ARG N N 55 118.900 118.900 121.530 -2.630 18318
6135 1 15 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.149 0.161 18318
6136 1 15 . 1 1 58 58 ARG C C 55 178.600 178.600 177.838 0.762 18318
6137 1 15 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.572 1.328 18318
6138 1 15 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.487 2.013 18318
6139 1 15 . 1 1 58 58 ARG H H 55 8.250 8.250 8.000 0.250 18318
6140 1 15 . 1 1 59 59 GLN N N 56 115.800 115.800 117.226 -1.426 18318
6141 1 15 . 1 1 59 59 GLN C C 56 178.100 178.100 177.124 0.976 18318
6142 1 15 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.395 -0.395 18318
6143 1 15 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.963 -0.163 18318
6144 1 15 . 1 1 59 59 GLN H H 56 7.920 7.920 7.755 0.165 18318
6145 1 15 . 1 1 60 60 ALA N N 57 121.600 121.600 120.598 1.002 18318
6146 1 15 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.419 -0.239 18318
6147 1 15 . 1 1 60 60 ALA C C 57 179.600 179.600 177.328 2.272 18318
6148 1 15 . 1 1 60 60 ALA CA C 57 54.500 54.500 52.522 1.978 18318
6149 1 15 . 1 1 60 60 ALA CB C 57 18.900 18.900 20.608 -1.708 18318
6150 1 15 . 1 1 60 60 ALA H H 57 8.490 8.490 7.635 0.855 18318
6151 1 15 . 1 1 61 61 CYS N N 58 114.000 114.000 119.304 -5.304 18318
6152 1 15 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.260 0.870 18318
6153 1 15 . 1 1 61 61 CYS C C 58 175.000 175.000 174.711 0.289 18318
6154 1 15 . 1 1 61 61 CYS CA C 58 52.700 52.700 61.427 -8.727 18318
6155 1 15 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.745 15.055 18318
6156 1 15 . 1 1 61 61 CYS H H 58 8.370 8.370 8.090 0.280 18318
6157 1 15 . 1 1 62 62 ALA N N 59 124.900 124.900 128.101 -3.201 18318
6158 1 15 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.530 -0.260 18318
6159 1 15 . 1 1 62 62 ALA C C 59 179.200 179.200 178.668 0.532 18318
6160 1 15 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.787 2.713 18318
6161 1 15 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.352 -0.552 18318
6162 1 15 . 1 1 62 62 ALA H H 59 7.200 7.200 8.228 -1.028 18318
6163 1 15 . 1 1 63 63 GLN N N 60 115.800 115.800 119.910 -4.110 18318
6164 1 15 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.247 0.233 18318
6165 1 15 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.141 1.060 18318
6166 1 15 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.520 -1.820 18318
6167 1 15 . 1 1 63 63 GLN H H 60 9.040 9.040 8.316 0.724 18318
6168 1 15 . 1 1 64 64 PRO C C 61 179.700 179.700 178.081 1.619 18318
6169 1 15 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.006 0.594 18318
6170 1 15 . 1 1 64 64 PRO CB C 61 30.800 30.800 30.979 -0.179 18318
6171 1 15 . 1 1 65 65 PHE N N 62 120.500 120.500 119.957 0.543 18318
6172 1 15 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.358 -0.078 18318
6173 1 15 . 1 1 65 65 PHE C C 62 176.400 176.400 176.650 -0.250 18318
6174 1 15 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.433 2.967 18318
6175 1 15 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.011 -0.412 18318
6176 1 15 . 1 1 65 65 PHE H H 62 8.500 8.500 7.964 0.536 18318
6177 1 15 . 1 1 66 66 GLU N N 63 120.200 120.200 120.189 0.011 18318
6178 1 15 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.666 0.364 18318
6179 1 15 . 1 1 66 66 GLU C C 63 179.300 179.300 178.581 0.719 18318
6180 1 15 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.888 0.312 18318
6181 1 15 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.720 -1.220 18318
6182 1 15 . 1 1 66 66 GLU H H 63 8.900 8.900 8.157 0.743 18318
6183 1 15 . 1 1 67 67 ALA N N 64 120.600 120.600 122.130 -1.530 18318
6184 1 15 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.035 -0.165 18318
6185 1 15 . 1 1 67 67 ALA C C 64 180.500 180.500 179.481 1.019 18318
6186 1 15 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.150 -0.450 18318
6187 1 15 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.180 -0.080 18318
6188 1 15 . 1 1 67 67 ALA H H 64 8.150 8.150 7.516 0.634 18318
6189 1 15 . 1 1 68 68 PHE N N 65 120.000 120.000 119.561 0.439 18318
6190 1 15 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.197 0.123 18318
6191 1 15 . 1 1 68 68 PHE C C 65 175.400 175.400 177.214 -1.814 18318
6192 1 15 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.777 0.023 18318
6193 1 15 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.732 -0.732 18318
6194 1 15 . 1 1 68 68 PHE H H 65 7.810 7.810 7.759 0.051 18318
6195 1 15 . 1 1 69 69 GLU N N 66 119.400 119.400 117.721 1.679 18318
6196 1 15 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.428 0.742 18318
6197 1 15 . 1 1 69 69 GLU C C 66 178.800 178.800 178.924 -0.124 18318
6198 1 15 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.279 0.921 18318
6199 1 15 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.979 0.121 18318
6200 1 15 . 1 1 69 69 GLU H H 66 8.330 8.330 7.641 0.689 18318
6201 1 15 . 1 1 70 70 GLU N N 67 118.600 118.600 119.003 -0.403 18318
6202 1 15 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.101 -0.131 18318
6203 1 15 . 1 1 70 70 GLU C C 67 177.700 177.700 178.324 -0.624 18318
6204 1 15 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.797 0.003 18318
6205 1 15 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.554 -0.854 18318
6206 1 15 . 1 1 70 70 GLU H H 67 8.240 8.240 7.464 0.776 18318
6207 1 15 . 1 1 71 71 CYS N N 68 119.100 119.100 119.569 -0.469 18318
6208 1 15 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.203 -0.123 18318
6209 1 15 . 1 1 71 71 CYS C C 68 177.900 177.900 177.313 0.587 18318
6210 1 15 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.356 -2.756 18318
6211 1 15 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.842 12.158 18318
6212 1 15 . 1 1 71 71 CYS H H 68 7.580 7.580 7.749 -0.169 18318
6213 1 15 . 1 1 72 72 LEU N N 69 122.000 122.000 117.911 4.089 18318
6214 1 15 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.137 -0.437 18318
6215 1 15 . 1 1 72 72 LEU C C 69 179.300 179.300 179.251 0.049 18318
6216 1 15 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.905 0.695 18318
6217 1 15 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.004 -0.004 18318
6218 1 15 . 1 1 72 72 LEU H H 69 8.090 8.090 7.538 0.552 18318
6219 1 15 . 1 1 73 73 ARG N N 70 117.400 117.400 118.266 -0.866 18318
6220 1 15 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.957 0.053 18318
6221 1 15 . 1 1 73 73 ARG C C 70 178.500 178.500 178.085 0.415 18318
6222 1 15 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.806 -0.106 18318
6223 1 15 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.648 0.453 18318
6224 1 15 . 1 1 73 73 ARG H H 70 7.600 7.600 7.605 -0.005 18318
6225 1 15 . 1 1 74 74 GLN N N 71 115.800 115.800 113.986 1.814 18318
6226 1 15 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.417 -0.127 18318
6227 1 15 . 1 1 74 74 GLN C C 71 176.200 176.200 176.034 0.166 18318
6228 1 15 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.513 -0.113 18318
6229 1 15 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.879 -1.679 18318
6230 1 15 . 1 1 74 74 GLN H H 71 7.580 7.580 7.542 0.038 18318
6231 1 15 . 1 1 75 75 ASN N N 72 118.600 118.600 118.019 0.581 18318
6232 1 15 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.047 -0.057 18318
6233 1 15 . 1 1 75 75 ASN C C 72 174.800 174.800 175.445 -0.645 18318
6234 1 15 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.517 0.483 18318
6235 1 15 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.276 0.524 18318
6236 1 15 . 1 1 75 75 ASN H H 72 7.750 7.750 8.166 -0.416 18318
6237 1 15 . 1 1 76 76 GLU N N 73 120.200 120.200 122.288 -2.088 18318
6238 1 15 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.907 0.053 18318
6239 1 15 . 1 1 76 76 GLU C C 73 176.800 176.800 176.791 0.009 18318
6240 1 15 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.401 -0.201 18318
6241 1 15 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.270 -0.170 18318
6242 1 15 . 1 1 76 76 GLU H H 73 7.950 7.950 8.002 -0.052 18318
6243 1 15 . 1 1 77 77 ALA N N 74 119.200 119.200 120.795 -1.595 18318
6244 1 15 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.493 -0.133 18318
6245 1 15 . 1 1 77 77 ALA C C 74 175.400 175.400 176.896 -1.496 18318
6246 1 15 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.649 0.451 18318
6247 1 15 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.911 0.289 18318
6248 1 15 . 1 1 77 77 ALA H H 74 8.320 8.320 8.039 0.281 18318
6249 1 15 . 1 1 78 78 ALA N N 75 124.400 124.400 122.571 1.829 18318
6250 1 15 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.691 -0.311 18318
6251 1 15 . 1 1 78 78 ALA C C 75 177.200 177.200 178.371 -1.171 18318
6252 1 15 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.833 -0.433 18318
6253 1 15 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.639 -1.639 18318
6254 1 15 . 1 1 78 78 ALA H H 75 7.900 7.900 7.518 0.382 18318
6255 1 15 . 1 1 79 79 VAL N N 76 118.400 118.400 119.481 -1.081 18318
6256 1 15 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.126 -0.336 18318
6257 1 15 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.234 0.866 18318
6258 1 15 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.574 0.726 18318
6259 1 15 . 1 1 79 79 VAL H H 76 8.100 8.100 8.358 -0.258 18318
6260 1 15 . 1 1 80 80 GLY C C 77 175.900 175.900 175.599 0.301 18318
6261 1 15 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.180 0.220 18318
6262 1 15 . 1 1 81 81 ASN N N 78 119.300 119.300 119.101 0.199 18318
6263 1 15 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.771 -0.171 18318
6264 1 15 . 1 1 81 81 ASN C C 78 176.700 176.700 175.122 1.578 18318
6265 1 15 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.495 0.005 18318
6266 1 15 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.172 -2.872 18318
6267 1 15 . 1 1 81 81 ASN H H 78 8.200 8.200 8.004 0.196 18318
6268 1 15 . 1 1 82 82 CYS N N 79 117.200 117.200 115.418 1.782 18318
6269 1 15 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.798 0.602 18318
6270 1 15 . 1 1 82 82 CYS C C 79 175.800 175.800 172.793 3.007 18318
6271 1 15 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.699 -3.199 18318
6272 1 15 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.141 9.159 18318
6273 1 15 . 1 1 82 82 CYS H H 79 8.330 8.330 7.729 0.601 18318
6274 1 15 . 1 1 83 83 ALA N N 80 125.000 125.000 126.595 -1.595 18318
6275 1 15 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.841 -0.691 18318
6276 1 15 . 1 1 83 83 ALA C C 80 179.900 179.900 177.303 2.597 18318
6277 1 15 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.877 4.323 18318
6278 1 15 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.584 -1.384 18318
6279 1 15 . 1 1 83 83 ALA H H 80 7.700 7.700 8.451 -0.751 18318
6280 1 15 . 1 1 84 84 GLU N N 81 118.900 118.900 122.332 -3.432 18318
6281 1 15 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.969 -0.019 18318
6282 1 15 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.674 0.326 18318
6283 1 15 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.630 -0.730 18318
6284 1 15 . 1 1 84 84 GLU H H 81 8.920 8.920 8.840 0.080 18318
6285 1 15 . 1 1 85 85 HIS C C 82 178.500 178.500 175.860 2.640 18318
6286 1 15 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.211 -2.111 18318
6287 1 15 . 1 1 86 86 MET N N 83 118.800 118.800 115.506 3.294 18318
6288 1 15 . 1 1 86 86 MET C C 83 177.200 177.200 177.910 -0.710 18318
6289 1 15 . 1 1 86 86 MET CA C 83 58.900 58.900 57.891 1.009 18318
6290 1 15 . 1 1 86 86 MET CB C 83 31.300 31.300 32.204 -0.904 18318
6291 1 15 . 1 1 86 86 MET H H 83 7.460 7.460 6.708 0.752 18318
6292 1 15 . 1 1 87 87 ARG N N 84 119.500 119.500 120.531 -1.031 18318
6293 1 15 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.993 -0.083 18318
6294 1 15 . 1 1 87 87 ARG C C 84 178.600 178.600 178.506 0.094 18318
6295 1 15 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.939 0.961 18318
6296 1 15 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.789 -0.289 18318
6297 1 15 . 1 1 87 87 ARG H H 84 8.220 8.220 7.197 1.023 18318
6298 1 15 . 1 1 88 88 ARG N N 85 117.900 117.900 119.423 -1.523 18318
6299 1 15 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.919 0.001 18318
6300 1 15 . 1 1 88 88 ARG C C 85 179.700 179.700 178.433 1.267 18318
6301 1 15 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.841 -0.341 18318
6302 1 15 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.705 0.295 18318
6303 1 15 . 1 1 88 88 ARG H H 85 8.100 8.100 8.194 -0.094 18318
6304 1 15 . 1 1 89 89 PHE N N 86 119.700 119.700 116.819 2.881 18318
6305 1 15 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.321 0.029 18318
6306 1 15 . 1 1 89 89 PHE C C 86 175.600 175.600 177.944 -2.344 18318
6307 1 15 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.131 0.969 18318
6308 1 15 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.089 -0.289 18318
6309 1 15 . 1 1 89 89 PHE H H 86 7.930 7.930 7.025 0.905 18318
6310 1 15 . 1 1 90 90 LEU N N 87 120.400 120.400 121.022 -0.622 18318
6311 1 15 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.016 -0.306 18318
6312 1 15 . 1 1 90 90 LEU C C 87 179.200 179.200 178.797 0.403 18318
6313 1 15 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.076 -0.376 18318
6314 1 15 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.197 -0.896 18318
6315 1 15 . 1 1 90 90 LEU H H 87 8.640 8.640 7.730 0.910 18318
6316 1 15 . 1 1 91 91 GLN N N 88 118.200 118.200 118.615 -0.415 18318
6317 1 15 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.125 -0.085 18318
6318 1 15 . 1 1 91 91 GLN C C 88 178.000 178.000 178.758 -0.758 18318
6319 1 15 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.616 0.084 18318
6320 1 15 . 1 1 91 91 GLN CB C 88 28.000 28.000 27.739 0.261 18318
6321 1 15 . 1 1 91 91 GLN H H 88 8.380 8.380 8.523 -0.143 18318
6322 1 15 . 1 1 92 92 CYS N N 89 119.000 119.000 118.349 0.651 18318
6323 1 15 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.672 -0.622 18318
6324 1 15 . 1 1 92 92 CYS C C 89 176.600 176.600 177.194 -0.594 18318
6325 1 15 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.244 -1.144 18318
6326 1 15 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.643 13.857 18318
6327 1 15 . 1 1 92 92 CYS H H 89 7.390 7.390 7.873 -0.483 18318
6328 1 15 . 1 1 93 93 ALA N N 90 122.900 122.900 122.708 0.192 18318
6329 1 15 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.166 -0.256 18318
6330 1 15 . 1 1 93 93 ALA C C 90 179.200 179.200 178.407 0.793 18318
6331 1 15 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.493 0.207 18318
6332 1 15 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.589 -0.789 18318
6333 1 15 . 1 1 93 93 ALA H H 90 8.410 8.410 7.886 0.524 18318
6334 1 15 . 1 1 94 94 GLU N N 91 115.800 115.800 117.475 -1.675 18318
6335 1 15 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.241 -0.091 18318
6336 1 15 . 1 1 94 94 GLU C C 91 177.400 177.400 178.251 -0.851 18318
6337 1 15 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.916 -0.016 18318
6338 1 15 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.318 -0.918 18318
6339 1 15 . 1 1 94 94 GLU H H 91 7.880 7.880 7.874 0.006 18318
6340 1 15 . 1 1 95 95 GLN N N 92 115.500 115.500 118.442 -2.942 18318
6341 1 15 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.167 0.123 18318
6342 1 15 . 1 1 95 95 GLN C C 92 176.600 176.600 176.142 0.458 18318
6343 1 15 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.661 -1.361 18318
6344 1 15 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.367 -0.467 18318
6345 1 15 . 1 1 95 95 GLN H H 92 7.450 7.450 7.776 -0.326 18318
6346 1 16 . 1 1 15 15 CYS N N 12 117.500 117.500 121.730 -4.230 18318
6347 1 16 . 1 1 15 15 CYS C C 12 175.500 175.500 175.959 -0.459 18318
6348 1 16 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.756 -5.056 18318
6349 1 16 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.019 7.681 18318
6350 1 16 . 1 1 15 15 CYS H H 12 8.280 8.280 9.270 -0.990 18318
6351 1 16 . 1 1 16 16 GLY N N 13 108.700 108.700 111.787 -3.087 18318
6352 1 16 . 1 1 16 16 GLY C C 13 176.600 176.600 175.558 1.042 18318
6353 1 16 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.165 0.735 18318
6354 1 16 . 1 1 16 16 GLY H H 13 8.080 8.080 8.981 -0.901 18318
6355 1 16 . 1 1 17 17 ARG N N 14 123.300 123.300 121.415 1.885 18318
6356 1 16 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.252 -0.292 18318
6357 1 16 . 1 1 17 17 ARG C C 14 179.300 179.300 177.768 1.532 18318
6358 1 16 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.760 0.440 18318
6359 1 16 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.886 -0.786 18318
6360 1 16 . 1 1 17 17 ARG H H 14 8.630 8.630 8.242 0.388 18318
6361 1 16 . 1 1 18 18 GLU N N 15 121.900 121.900 120.340 1.560 18318
6362 1 16 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.150 0.020 18318
6363 1 16 . 1 1 18 18 GLU C C 15 177.900 177.900 178.722 -0.822 18318
6364 1 16 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.696 1.404 18318
6365 1 16 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.618 -1.418 18318
6366 1 16 . 1 1 18 18 GLU H H 15 9.670 9.670 8.074 1.596 18318
6367 1 16 . 1 1 19 19 LEU N N 16 119.400 119.400 119.658 -0.258 18318
6368 1 16 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.467 2.433 18318
6369 1 16 . 1 1 19 19 LEU H H 16 8.090 8.090 7.622 0.468 18318
6370 1 16 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.014 -0.334 18318
6371 1 16 . 1 1 20 20 GLU C C 17 177.200 177.200 179.515 -2.315 18318
6372 1 16 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.770 -0.470 18318
6373 1 16 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.538 -0.538 18318
6374 1 16 . 1 1 21 21 GLN N N 18 118.500 118.500 118.569 -0.069 18318
6375 1 16 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.180 -0.140 18318
6376 1 16 . 1 1 21 21 GLN C C 18 177.200 177.200 178.360 -1.160 18318
6377 1 16 . 1 1 21 21 GLN CA C 18 59.000 59.000 57.990 1.010 18318
6378 1 16 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.910 -0.210 18318
6379 1 16 . 1 1 21 21 GLN H H 18 8.560 8.560 7.885 0.675 18318
6380 1 16 . 1 1 22 22 TYR N N 19 120.700 120.700 121.318 -0.618 18318
6381 1 16 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.373 -0.093 18318
6382 1 16 . 1 1 22 22 TYR C C 19 176.600 176.600 178.053 -1.453 18318
6383 1 16 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.642 1.458 18318
6384 1 16 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.221 0.679 18318
6385 1 16 . 1 1 22 22 TYR H H 19 8.120 8.120 8.861 -0.741 18318
6386 1 16 . 1 1 23 23 GLY N N 20 105.600 105.600 106.918 -1.318 18318
6387 1 16 . 1 1 23 23 GLY C C 20 176.700 176.700 175.983 0.717 18318
6388 1 16 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.627 0.472 18318
6389 1 16 . 1 1 23 23 GLY H H 20 8.390 8.390 7.646 0.744 18318
6390 1 16 . 1 1 24 24 GLN N N 21 120.300 120.300 121.449 -1.149 18318
6391 1 16 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.155 -0.105 18318
6392 1 16 . 1 1 24 24 GLN C C 21 178.000 178.000 178.213 -0.213 18318
6393 1 16 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.973 -0.373 18318
6394 1 16 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.768 -1.168 18318
6395 1 16 . 1 1 24 24 GLN H H 21 8.130 8.130 7.624 0.506 18318
6396 1 16 . 1 1 25 25 CYS N N 22 121.500 121.500 117.987 3.513 18318
6397 1 16 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.544 -0.264 18318
6398 1 16 . 1 1 25 25 CYS C C 22 175.400 175.400 177.592 -2.192 18318
6399 1 16 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.984 -2.384 18318
6400 1 16 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.446 13.454 18318
6401 1 16 . 1 1 25 25 CYS H H 22 7.610 7.610 8.230 -0.620 18318
6402 1 16 . 1 1 26 26 VAL N N 23 119.900 119.900 118.916 0.984 18318
6403 1 16 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.191 -0.401 18318
6404 1 16 . 1 1 26 26 VAL C C 23 177.100 177.100 177.334 -0.234 18318
6405 1 16 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.429 1.471 18318
6406 1 16 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.328 -2.028 18318
6407 1 16 . 1 1 26 26 VAL H H 23 8.040 8.040 7.392 0.648 18318
6408 1 16 . 1 1 27 27 ALA N N 24 117.400 117.400 121.992 -4.592 18318
6409 1 16 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.116 -0.016 18318
6410 1 16 . 1 1 27 27 ALA C C 24 178.600 178.600 178.838 -0.238 18318
6411 1 16 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.545 -0.446 18318
6412 1 16 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.615 -0.715 18318
6413 1 16 . 1 1 27 27 ALA H H 24 7.430 7.430 7.557 -0.127 18318
6414 1 16 . 1 1 28 28 ALA N N 25 116.100 116.100 120.994 -4.894 18318
6415 1 16 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.128 0.202 18318
6416 1 16 . 1 1 28 28 ALA C C 25 178.100 178.100 177.744 0.356 18318
6417 1 16 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.888 -1.288 18318
6418 1 16 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.745 -0.645 18318
6419 1 16 . 1 1 28 28 ALA H H 25 7.120 7.120 7.936 -0.816 18318
6420 1 16 . 1 1 29 29 LYS N N 26 119.200 119.200 114.015 5.185 18318
6421 1 16 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.421 5.279 18318
6422 1 16 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.721 -2.621 18318
6423 1 16 . 1 1 29 29 LYS H H 26 7.560 7.560 7.395 0.165 18318
6424 1 16 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.341 -0.131 18318
6425 1 16 . 1 1 30 30 PRO C C 27 177.000 177.000 178.520 -1.520 18318
6426 1 16 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.475 0.425 18318
6427 1 16 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.066 -0.466 18318
6428 1 16 . 1 1 31 31 GLU N N 28 114.600 114.600 118.996 -4.396 18318
6429 1 16 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.366 0.084 18318
6430 1 16 . 1 1 31 31 GLU C C 28 176.100 176.100 178.661 -2.561 18318
6431 1 16 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.228 -1.028 18318
6432 1 16 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.039 0.561 18318
6433 1 16 . 1 1 31 31 GLU H H 28 8.770 8.770 8.815 -0.045 18318
6434 1 16 . 1 1 32 32 SER N N 29 111.000 111.000 115.113 -4.113 18318
6435 1 16 . 1 1 32 32 SER HA H 29 4.510 4.510 4.277 0.233 18318
6436 1 16 . 1 1 32 32 SER C C 29 176.600 176.600 176.024 0.576 18318
6437 1 16 . 1 1 32 32 SER CA C 29 58.500 58.500 61.048 -2.548 18318
6438 1 16 . 1 1 32 32 SER CB C 29 63.800 63.800 62.760 1.040 18318
6439 1 16 . 1 1 32 32 SER H H 29 7.750 7.750 8.359 -0.609 18318
6440 1 16 . 1 1 33 33 TRP N N 30 125.000 125.000 124.274 0.726 18318
6441 1 16 . 1 1 33 33 TRP C C 30 177.200 177.200 177.628 -0.428 18318
6442 1 16 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.757 -0.757 18318
6443 1 16 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.642 0.858 18318
6444 1 16 . 1 1 33 33 TRP H H 30 7.820 7.820 7.636 0.184 18318
6445 1 16 . 1 1 34 34 GLN N N 31 123.600 123.600 116.767 6.833 18318
6446 1 16 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.873 0.577 18318
6447 1 16 . 1 1 34 34 GLN C C 31 176.800 176.800 177.391 -0.591 18318
6448 1 16 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.630 2.270 18318
6449 1 16 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.560 -2.060 18318
6450 1 16 . 1 1 34 34 GLN H H 31 8.240 8.240 7.522 0.718 18318
6451 1 16 . 1 1 35 35 ARG N N 32 115.900 115.900 118.651 -2.751 18318
6452 1 16 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.027 0.253 18318
6453 1 16 . 1 1 35 35 ARG C C 32 178.900 178.900 178.464 0.436 18318
6454 1 16 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.962 -1.562 18318
6455 1 16 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.504 0.796 18318
6456 1 16 . 1 1 35 35 ARG H H 32 7.450 7.450 7.485 -0.035 18318
6457 1 16 . 1 1 36 36 ASP N N 33 117.700 117.700 118.682 -0.982 18318
6458 1 16 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.543 -0.403 18318
6459 1 16 . 1 1 36 36 ASP C C 33 177.600 177.600 177.129 0.471 18318
6460 1 16 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.484 0.716 18318
6461 1 16 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.199 -0.299 18318
6462 1 16 . 1 1 36 36 ASP H H 33 8.760 8.760 8.374 0.386 18318
6463 1 16 . 1 1 37 37 CYS N N 34 113.300 113.300 116.109 -2.809 18318
6464 1 16 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.828 0.572 18318
6465 1 16 . 1 1 37 37 CYS C C 34 175.800 175.800 174.540 1.260 18318
6466 1 16 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.922 -3.822 18318
6467 1 16 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.950 13.550 18318
6468 1 16 . 1 1 37 37 CYS H H 34 8.260 8.260 7.721 0.539 18318
6469 1 16 . 1 1 38 38 HIS N N 35 124.200 124.200 124.588 -0.388 18318
6470 1 16 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.362 -0.012 18318
6471 1 16 . 1 1 38 38 HIS C C 35 177.400 177.400 176.011 1.389 18318
6472 1 16 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.942 2.058 18318
6473 1 16 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.986 -0.386 18318
6474 1 16 . 1 1 38 38 HIS H H 35 7.520 7.520 8.443 -0.923 18318
6475 1 16 . 1 1 39 39 TYR N N 36 117.100 117.100 118.308 -1.208 18318
6476 1 16 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.086 0.214 18318
6477 1 16 . 1 1 39 39 TYR C C 36 177.700 177.700 177.628 0.072 18318
6478 1 16 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.537 -0.937 18318
6479 1 16 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.968 -1.768 18318
6480 1 16 . 1 1 39 39 TYR H H 36 8.930 8.930 8.639 0.291 18318
6481 1 16 . 1 1 40 40 LEU N N 37 122.000 122.000 118.059 3.941 18318
6482 1 16 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.031 0.139 18318
6483 1 16 . 1 1 40 40 LEU C C 37 179.400 179.400 178.552 0.848 18318
6484 1 16 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.167 -1.667 18318
6485 1 16 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.602 0.798 18318
6486 1 16 . 1 1 40 40 LEU H H 37 6.940 6.940 8.342 -1.402 18318
6487 1 16 . 1 1 41 41 LYS N N 38 125.300 125.300 119.206 6.094 18318
6488 1 16 . 1 1 41 41 LYS C C 38 179.600 179.600 178.461 1.139 18318
6489 1 16 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.534 0.066 18318
6490 1 16 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.994 -0.994 18318
6491 1 16 . 1 1 41 41 LYS H H 38 7.880 7.880 7.728 0.152 18318
6492 1 16 . 1 1 42 42 MET N N 39 117.600 117.600 117.725 -0.125 18318
6493 1 16 . 1 1 42 42 MET HA H 39 4.120 4.120 4.299 -0.179 18318
6494 1 16 . 1 1 42 42 MET C C 39 178.900 178.900 178.251 0.649 18318
6495 1 16 . 1 1 42 42 MET CA C 39 57.200 57.200 57.741 -0.541 18318
6496 1 16 . 1 1 42 42 MET CB C 39 30.000 30.000 31.593 -1.593 18318
6497 1 16 . 1 1 42 42 MET H H 39 8.090 8.090 7.403 0.687 18318
6498 1 16 . 1 1 43 43 SER N N 40 115.900 115.900 116.477 -0.577 18318
6499 1 16 . 1 1 43 43 SER HA H 40 4.290 4.290 4.335 -0.045 18318
6500 1 16 . 1 1 43 43 SER C C 40 177.400 177.400 176.435 0.965 18318
6501 1 16 . 1 1 43 43 SER CA C 40 61.700 61.700 61.377 0.323 18318
6502 1 16 . 1 1 43 43 SER CB C 40 62.500 62.500 63.636 -1.136 18318
6503 1 16 . 1 1 43 43 SER H H 40 7.600 7.600 7.678 -0.078 18318
6504 1 16 . 1 1 44 44 ILE N N 41 121.900 121.900 119.078 2.822 18318
6505 1 16 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.766 -0.226 18318
6506 1 16 . 1 1 44 44 ILE C C 41 177.500 177.500 177.197 0.303 18318
6507 1 16 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.791 1.309 18318
6508 1 16 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.649 0.251 18318
6509 1 16 . 1 1 44 44 ILE H H 41 7.540 7.540 8.515 -0.975 18318
6510 1 16 . 1 1 45 45 ALA N N 42 122.600 122.600 122.377 0.223 18318
6511 1 16 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.995 0.185 18318
6512 1 16 . 1 1 45 45 ALA C C 42 180.200 180.200 179.789 0.411 18318
6513 1 16 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.317 -0.517 18318
6514 1 16 . 1 1 45 45 ALA CB C 42 17.300 17.300 17.892 -0.592 18318
6515 1 16 . 1 1 45 45 ALA H H 42 7.420 7.420 7.729 -0.309 18318
6516 1 16 . 1 1 46 46 GLN N N 43 118.400 118.400 118.496 -0.096 18318
6517 1 16 . 1 1 46 46 GLN HA H 43 3.970 3.970 3.953 0.017 18318
6518 1 16 . 1 1 46 46 GLN C C 43 178.500 178.500 178.069 0.431 18318
6519 1 16 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.881 -0.181 18318
6520 1 16 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.593 -0.793 18318
6521 1 16 . 1 1 46 46 GLN H H 43 8.290 8.290 7.906 0.384 18318
6522 1 16 . 1 1 47 47 CYS N N 44 119.500 119.500 118.304 1.196 18318
6523 1 16 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.180 -0.090 18318
6524 1 16 . 1 1 47 47 CYS C C 44 176.500 176.500 177.914 -1.414 18318
6525 1 16 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.169 -1.869 18318
6526 1 16 . 1 1 47 47 CYS CB C 44 39.900 39.900 25.948 13.952 18318
6527 1 16 . 1 1 47 47 CYS H H 44 7.590 7.590 7.853 -0.263 18318
6528 1 16 . 1 1 48 48 THR N N 45 113.000 113.000 115.864 -2.864 18318
6529 1 16 . 1 1 48 48 THR C C 45 175.900 175.900 176.216 -0.316 18318
6530 1 16 . 1 1 48 48 THR CA C 45 65.400 65.400 65.675 -0.275 18318
6531 1 16 . 1 1 48 48 THR CB C 45 68.800 68.800 68.241 0.559 18318
6532 1 16 . 1 1 48 48 THR H H 45 8.810 8.810 7.864 0.946 18318
6533 1 16 . 1 1 49 49 SER N N 46 113.200 113.200 116.830 -3.630 18318
6534 1 16 . 1 1 49 49 SER HA H 46 4.380 4.380 4.151 0.229 18318
6535 1 16 . 1 1 49 49 SER C C 46 175.600 175.600 176.630 -1.030 18318
6536 1 16 . 1 1 49 49 SER CA C 46 60.000 60.000 61.016 -1.016 18318
6537 1 16 . 1 1 49 49 SER CB C 46 63.900 63.900 62.786 1.114 18318
6538 1 16 . 1 1 49 49 SER H H 46 7.890 7.890 8.154 -0.264 18318
6539 1 16 . 1 1 50 50 SER N N 47 114.100 114.100 116.951 -2.851 18318
6540 1 16 . 1 1 50 50 SER HA H 47 4.390 4.390 4.211 0.179 18318
6541 1 16 . 1 1 50 50 SER CA C 47 59.100 59.100 61.314 -2.214 18318
6542 1 16 . 1 1 50 50 SER CB C 47 64.800 64.800 63.578 1.222 18318
6543 1 16 . 1 1 50 50 SER H H 47 7.770 7.770 7.525 0.245 18318
6544 1 16 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.852 0.738 18318
6545 1 16 . 1 1 55 55 ARG C C 52 178.500 178.500 177.993 0.507 18318
6546 1 16 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.720 0.280 18318
6547 1 16 . 1 1 56 56 GLN N N 53 117.700 117.700 118.393 -0.693 18318
6548 1 16 . 1 1 56 56 GLN C C 53 175.000 175.000 178.187 -3.187 18318
6549 1 16 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.603 1.597 18318
6550 1 16 . 1 1 56 56 GLN H H 53 8.110 8.110 7.806 0.304 18318
6551 1 16 . 1 1 57 57 ILE N N 54 121.200 121.200 118.456 2.744 18318
6552 1 16 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.792 -0.472 18318
6553 1 16 . 1 1 57 57 ILE C C 54 178.700 178.700 178.343 0.357 18318
6554 1 16 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.163 1.837 18318
6555 1 16 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.979 -0.279 18318
6556 1 16 . 1 1 57 57 ILE H H 54 7.820 7.820 8.206 -0.386 18318
6557 1 16 . 1 1 58 58 ARG N N 55 118.900 118.900 120.134 -1.234 18318
6558 1 16 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.945 0.365 18318
6559 1 16 . 1 1 58 58 ARG C C 55 178.600 178.600 178.955 -0.355 18318
6560 1 16 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.646 0.254 18318
6561 1 16 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.740 1.760 18318
6562 1 16 . 1 1 58 58 ARG H H 55 8.250 8.250 7.820 0.430 18318
6563 1 16 . 1 1 59 59 GLN N N 56 115.800 115.800 116.660 -0.860 18318
6564 1 16 . 1 1 59 59 GLN C C 56 178.100 178.100 176.646 1.454 18318
6565 1 16 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.883 0.117 18318
6566 1 16 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.821 -0.021 18318
6567 1 16 . 1 1 59 59 GLN H H 56 7.920 7.920 7.737 0.183 18318
6568 1 16 . 1 1 60 60 ALA N N 57 121.600 121.600 120.537 1.063 18318
6569 1 16 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.404 -0.224 18318
6570 1 16 . 1 1 60 60 ALA C C 57 179.600 179.600 177.585 2.015 18318
6571 1 16 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.370 3.130 18318
6572 1 16 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.020 -0.121 18318
6573 1 16 . 1 1 60 60 ALA H H 57 8.490 8.490 7.550 0.940 18318
6574 1 16 . 1 1 61 61 CYS N N 58 114.000 114.000 116.658 -2.658 18318
6575 1 16 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.334 0.796 18318
6576 1 16 . 1 1 61 61 CYS C C 58 175.000 175.000 175.908 -0.908 18318
6577 1 16 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.100 -6.400 18318
6578 1 16 . 1 1 61 61 CYS CB C 58 39.800 39.800 27.545 12.255 18318
6579 1 16 . 1 1 61 61 CYS H H 58 8.370 8.370 7.698 0.672 18318
6580 1 16 . 1 1 62 62 ALA N N 59 124.900 124.900 127.611 -2.711 18318
6581 1 16 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.227 0.043 18318
6582 1 16 . 1 1 62 62 ALA C C 59 179.200 179.200 178.734 0.466 18318
6583 1 16 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.883 3.617 18318
6584 1 16 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.892 -1.092 18318
6585 1 16 . 1 1 62 62 ALA H H 59 7.200 7.200 8.536 -1.336 18318
6586 1 16 . 1 1 63 63 GLN N N 60 115.800 115.800 119.996 -4.196 18318
6587 1 16 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.073 0.407 18318
6588 1 16 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.008 0.192 18318
6589 1 16 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.056 -2.356 18318
6590 1 16 . 1 1 63 63 GLN H H 60 9.040 9.040 8.701 0.339 18318
6591 1 16 . 1 1 64 64 PRO C C 61 179.700 179.700 178.217 1.483 18318
6592 1 16 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.783 -0.183 18318
6593 1 16 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.338 -0.538 18318
6594 1 16 . 1 1 65 65 PHE N N 62 120.500 120.500 117.601 2.899 18318
6595 1 16 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.491 -0.211 18318
6596 1 16 . 1 1 65 65 PHE C C 62 176.400 176.400 177.429 -1.029 18318
6597 1 16 . 1 1 65 65 PHE CA C 62 62.400 62.400 61.127 1.274 18318
6598 1 16 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.099 -0.499 18318
6599 1 16 . 1 1 65 65 PHE H H 62 8.500 8.500 8.336 0.164 18318
6600 1 16 . 1 1 66 66 GLU N N 63 120.200 120.200 120.715 -0.515 18318
6601 1 16 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.146 -0.116 18318
6602 1 16 . 1 1 66 66 GLU C C 63 179.300 179.300 178.155 1.145 18318
6603 1 16 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.535 -0.335 18318
6604 1 16 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.537 -1.037 18318
6605 1 16 . 1 1 66 66 GLU H H 63 8.900 8.900 8.298 0.602 18318
6606 1 16 . 1 1 67 67 ALA N N 64 120.600 120.600 121.114 -0.514 18318
6607 1 16 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.129 -0.259 18318
6608 1 16 . 1 1 67 67 ALA C C 64 180.500 180.500 179.238 1.262 18318
6609 1 16 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.623 0.077 18318
6610 1 16 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.371 -0.271 18318
6611 1 16 . 1 1 67 67 ALA H H 64 8.150 8.150 7.589 0.561 18318
6612 1 16 . 1 1 68 68 PHE N N 65 120.000 120.000 118.606 1.394 18318
6613 1 16 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.280 0.040 18318
6614 1 16 . 1 1 68 68 PHE C C 65 175.400 175.400 176.526 -1.126 18318
6615 1 16 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.853 -0.053 18318
6616 1 16 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.321 -1.321 18318
6617 1 16 . 1 1 68 68 PHE H H 65 7.810 7.810 7.626 0.184 18318
6618 1 16 . 1 1 69 69 GLU N N 66 119.400 119.400 119.679 -0.279 18318
6619 1 16 . 1 1 69 69 GLU HA H 66 4.170 4.170 2.954 1.216 18318
6620 1 16 . 1 1 69 69 GLU C C 66 178.800 178.800 178.709 0.091 18318
6621 1 16 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.745 1.455 18318
6622 1 16 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.590 0.510 18318
6623 1 16 . 1 1 69 69 GLU H H 66 8.330 8.330 7.796 0.534 18318
6624 1 16 . 1 1 70 70 GLU N N 67 118.600 118.600 118.215 0.385 18318
6625 1 16 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.208 -0.238 18318
6626 1 16 . 1 1 70 70 GLU C C 67 177.700 177.700 178.046 -0.346 18318
6627 1 16 . 1 1 70 70 GLU CA C 67 58.800 58.800 57.738 1.062 18318
6628 1 16 . 1 1 70 70 GLU CB C 67 28.700 28.700 30.181 -1.481 18318
6629 1 16 . 1 1 70 70 GLU H H 67 8.240 8.240 7.690 0.550 18318
6630 1 16 . 1 1 71 71 CYS N N 68 119.100 119.100 119.195 -0.095 18318
6631 1 16 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.174 -0.094 18318
6632 1 16 . 1 1 71 71 CYS C C 68 177.900 177.900 177.161 0.739 18318
6633 1 16 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.643 -2.043 18318
6634 1 16 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.618 12.382 18318
6635 1 16 . 1 1 71 71 CYS H H 68 7.580 7.580 7.786 -0.206 18318
6636 1 16 . 1 1 72 72 LEU N N 69 122.000 122.000 117.838 4.162 18318
6637 1 16 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.251 -0.551 18318
6638 1 16 . 1 1 72 72 LEU C C 69 179.300 179.300 178.950 0.350 18318
6639 1 16 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.534 1.066 18318
6640 1 16 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.153 -0.153 18318
6641 1 16 . 1 1 72 72 LEU H H 69 8.090 8.090 7.661 0.429 18318
6642 1 16 . 1 1 73 73 ARG N N 70 117.400 117.400 119.334 -1.934 18318
6643 1 16 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.927 0.083 18318
6644 1 16 . 1 1 73 73 ARG C C 70 178.500 178.500 177.912 0.588 18318
6645 1 16 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.858 -0.158 18318
6646 1 16 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.030 0.070 18318
6647 1 16 . 1 1 73 73 ARG H H 70 7.600 7.600 7.391 0.209 18318
6648 1 16 . 1 1 74 74 GLN N N 71 115.800 115.800 115.242 0.558 18318
6649 1 16 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.442 -0.152 18318
6650 1 16 . 1 1 74 74 GLN C C 71 176.200 176.200 175.213 0.987 18318
6651 1 16 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.287 0.113 18318
6652 1 16 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.484 -1.284 18318
6653 1 16 . 1 1 74 74 GLN H H 71 7.580 7.580 7.570 0.010 18318
6654 1 16 . 1 1 75 75 ASN N N 72 118.600 118.600 117.753 0.847 18318
6655 1 16 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.911 0.079 18318
6656 1 16 . 1 1 75 75 ASN C C 72 174.800 174.800 173.965 0.835 18318
6657 1 16 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.011 -0.011 18318
6658 1 16 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.426 1.374 18318
6659 1 16 . 1 1 75 75 ASN H H 72 7.750 7.750 7.685 0.065 18318
6660 1 16 . 1 1 76 76 GLU N N 73 120.200 120.200 120.909 -0.709 18318
6661 1 16 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.011 -0.051 18318
6662 1 16 . 1 1 76 76 GLU C C 73 176.800 176.800 177.511 -0.711 18318
6663 1 16 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.889 0.311 18318
6664 1 16 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.671 -0.571 18318
6665 1 16 . 1 1 76 76 GLU H H 73 7.950 7.950 8.101 -0.151 18318
6666 1 16 . 1 1 77 77 ALA N N 74 119.200 119.200 120.885 -1.685 18318
6667 1 16 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.405 -0.045 18318
6668 1 16 . 1 1 77 77 ALA C C 74 175.400 175.400 177.743 -2.343 18318
6669 1 16 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.960 -0.860 18318
6670 1 16 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.547 -0.347 18318
6671 1 16 . 1 1 77 77 ALA H H 74 8.320 8.320 8.203 0.117 18318
6672 1 16 . 1 1 78 78 ALA N N 75 124.400 124.400 121.044 3.356 18318
6673 1 16 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.441 -0.061 18318
6674 1 16 . 1 1 78 78 ALA C C 75 177.200 177.200 178.188 -0.988 18318
6675 1 16 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.796 -0.396 18318
6676 1 16 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.922 0.078 18318
6677 1 16 . 1 1 78 78 ALA H H 75 7.900 7.900 7.314 0.586 18318
6678 1 16 . 1 1 79 79 VAL N N 76 118.400 118.400 118.645 -0.245 18318
6679 1 16 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.838 -0.048 18318
6680 1 16 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.805 0.295 18318
6681 1 16 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.541 -0.242 18318
6682 1 16 . 1 1 79 79 VAL H H 76 8.100 8.100 7.756 0.344 18318
6683 1 16 . 1 1 80 80 GLY C C 77 175.900 175.900 175.104 0.796 18318
6684 1 16 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.818 -0.418 18318
6685 1 16 . 1 1 81 81 ASN N N 78 119.300 119.300 118.991 0.309 18318
6686 1 16 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.884 -0.284 18318
6687 1 16 . 1 1 81 81 ASN C C 78 176.700 176.700 174.995 1.705 18318
6688 1 16 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.512 -0.012 18318
6689 1 16 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.014 -2.714 18318
6690 1 16 . 1 1 81 81 ASN H H 78 8.200 8.200 7.885 0.315 18318
6691 1 16 . 1 1 82 82 CYS N N 79 117.200 117.200 117.118 0.082 18318
6692 1 16 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.974 0.426 18318
6693 1 16 . 1 1 82 82 CYS C C 79 175.800 175.800 173.509 2.291 18318
6694 1 16 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.526 -2.026 18318
6695 1 16 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.477 9.823 18318
6696 1 16 . 1 1 82 82 CYS H H 79 8.330 8.330 7.742 0.588 18318
6697 1 16 . 1 1 83 83 ALA N N 80 125.000 125.000 125.912 -0.912 18318
6698 1 16 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.683 -0.533 18318
6699 1 16 . 1 1 83 83 ALA C C 80 179.900 179.900 177.539 2.361 18318
6700 1 16 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.930 5.270 18318
6701 1 16 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.056 -2.856 18318
6702 1 16 . 1 1 83 83 ALA H H 80 7.700 7.700 8.338 -0.638 18318
6703 1 16 . 1 1 84 84 GLU N N 81 118.900 118.900 123.357 -4.457 18318
6704 1 16 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.886 0.064 18318
6705 1 16 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.702 0.298 18318
6706 1 16 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.259 -0.359 18318
6707 1 16 . 1 1 84 84 GLU H H 81 8.920 8.920 8.835 0.085 18318
6708 1 16 . 1 1 85 85 HIS C C 82 178.500 178.500 177.740 0.760 18318
6709 1 16 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.310 -2.210 18318
6710 1 16 . 1 1 86 86 MET N N 83 118.800 118.800 118.732 0.068 18318
6711 1 16 . 1 1 86 86 MET C C 83 177.200 177.200 178.230 -1.030 18318
6712 1 16 . 1 1 86 86 MET CA C 83 58.900 58.900 58.542 0.358 18318
6713 1 16 . 1 1 86 86 MET CB C 83 31.300 31.300 32.202 -0.902 18318
6714 1 16 . 1 1 86 86 MET H H 83 7.460 7.460 8.424 -0.964 18318
6715 1 16 . 1 1 87 87 ARG N N 84 119.500 119.500 118.101 1.399 18318
6716 1 16 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.176 -0.266 18318
6717 1 16 . 1 1 87 87 ARG C C 84 178.600 178.600 178.810 -0.210 18318
6718 1 16 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.786 1.114 18318
6719 1 16 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.385 0.115 18318
6720 1 16 . 1 1 87 87 ARG H H 84 8.220 8.220 8.205 0.015 18318
6721 1 16 . 1 1 88 88 ARG N N 85 117.900 117.900 119.150 -1.250 18318
6722 1 16 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.927 -0.007 18318
6723 1 16 . 1 1 88 88 ARG C C 85 179.700 179.700 179.016 0.684 18318
6724 1 16 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.044 1.456 18318
6725 1 16 . 1 1 88 88 ARG CB C 85 30.000 30.000 28.788 1.212 18318
6726 1 16 . 1 1 88 88 ARG H H 85 8.100 8.100 7.610 0.490 18318
6727 1 16 . 1 1 89 89 PHE N N 86 119.700 119.700 121.038 -1.338 18318
6728 1 16 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.211 0.139 18318
6729 1 16 . 1 1 89 89 PHE C C 86 175.600 175.600 176.837 -1.237 18318
6730 1 16 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.653 0.447 18318
6731 1 16 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.945 -1.145 18318
6732 1 16 . 1 1 89 89 PHE H H 86 7.930 7.930 7.965 -0.035 18318
6733 1 16 . 1 1 90 90 LEU N N 87 120.400 120.400 117.982 2.418 18318
6734 1 16 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.759 -0.049 18318
6735 1 16 . 1 1 90 90 LEU C C 87 179.200 179.200 179.032 0.168 18318
6736 1 16 . 1 1 90 90 LEU CA C 87 57.700 57.700 56.716 0.984 18318
6737 1 16 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.034 -1.734 18318
6738 1 16 . 1 1 90 90 LEU H H 87 8.640 8.640 7.480 1.160 18318
6739 1 16 . 1 1 91 91 GLN N N 88 118.200 118.200 118.584 -0.384 18318
6740 1 16 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.119 -0.079 18318
6741 1 16 . 1 1 91 91 GLN C C 88 178.000 178.000 178.143 -0.143 18318
6742 1 16 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.206 -0.506 18318
6743 1 16 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.752 -0.752 18318
6744 1 16 . 1 1 91 91 GLN H H 88 8.380 8.380 8.535 -0.155 18318
6745 1 16 . 1 1 92 92 CYS N N 89 119.000 119.000 117.509 1.491 18318
6746 1 16 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.288 -0.238 18318
6747 1 16 . 1 1 92 92 CYS C C 89 176.600 176.600 176.513 0.087 18318
6748 1 16 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.596 -0.496 18318
6749 1 16 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.919 13.581 18318
6750 1 16 . 1 1 92 92 CYS H H 89 7.390 7.390 7.863 -0.473 18318
6751 1 16 . 1 1 93 93 ALA N N 90 122.900 122.900 121.620 1.280 18318
6752 1 16 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.175 -0.265 18318
6753 1 16 . 1 1 93 93 ALA C C 90 179.200 179.200 178.325 0.875 18318
6754 1 16 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.580 0.120 18318
6755 1 16 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.375 -0.575 18318
6756 1 16 . 1 1 93 93 ALA H H 90 8.410 8.410 7.734 0.676 18318
6757 1 16 . 1 1 94 94 GLU N N 91 115.800 115.800 119.007 -3.207 18318
6758 1 16 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.139 0.011 18318
6759 1 16 . 1 1 94 94 GLU C C 91 177.400 177.400 178.628 -1.228 18318
6760 1 16 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.531 0.369 18318
6761 1 16 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.861 -0.461 18318
6762 1 16 . 1 1 94 94 GLU H H 91 7.880 7.880 7.770 0.110 18318
6763 1 16 . 1 1 95 95 GLN N N 92 115.500 115.500 118.715 -3.215 18318
6764 1 16 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.109 0.181 18318
6765 1 16 . 1 1 95 95 GLN C C 92 176.600 176.600 176.951 -0.351 18318
6766 1 16 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.026 -0.726 18318
6767 1 16 . 1 1 95 95 GLN CB C 92 28.900 28.900 28.393 0.506 18318
6768 1 16 . 1 1 95 95 GLN H H 92 7.450 7.450 7.857 -0.407 18318
6769 1 17 . 1 1 15 15 CYS N N 12 117.500 117.500 119.047 -1.547 18318
6770 1 17 . 1 1 15 15 CYS C C 12 175.500 175.500 175.393 0.107 18318
6771 1 17 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.788 -5.088 18318
6772 1 17 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.831 5.869 18318
6773 1 17 . 1 1 15 15 CYS H H 12 8.280 8.280 8.644 -0.364 18318
6774 1 17 . 1 1 16 16 GLY N N 13 108.700 108.700 109.932 -1.232 18318
6775 1 17 . 1 1 16 16 GLY C C 13 176.600 176.600 175.122 1.478 18318
6776 1 17 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.887 3.013 18318
6777 1 17 . 1 1 16 16 GLY H H 13 8.080 8.080 8.862 -0.782 18318
6778 1 17 . 1 1 17 17 ARG N N 14 123.300 123.300 120.461 2.839 18318
6779 1 17 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.061 -0.101 18318
6780 1 17 . 1 1 17 17 ARG C C 14 179.300 179.300 177.204 2.096 18318
6781 1 17 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.633 0.567 18318
6782 1 17 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.222 -0.122 18318
6783 1 17 . 1 1 17 17 ARG H H 14 8.630 8.630 8.281 0.349 18318
6784 1 17 . 1 1 18 18 GLU N N 15 121.900 121.900 119.050 2.850 18318
6785 1 17 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.610 -0.440 18318
6786 1 17 . 1 1 18 18 GLU C C 15 177.900 177.900 178.330 -0.430 18318
6787 1 17 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.158 2.942 18318
6788 1 17 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.756 -1.556 18318
6789 1 17 . 1 1 18 18 GLU H H 15 9.670 9.670 8.262 1.408 18318
6790 1 17 . 1 1 19 19 LEU N N 16 119.400 119.400 121.995 -2.595 18318
6791 1 17 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.002 1.898 18318
6792 1 17 . 1 1 19 19 LEU H H 16 8.090 8.090 8.026 0.064 18318
6793 1 17 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.117 -0.437 18318
6794 1 17 . 1 1 20 20 GLU C C 17 177.200 177.200 178.783 -1.583 18318
6795 1 17 . 1 1 20 20 GLU CA C 17 59.300 59.300 58.836 0.464 18318
6796 1 17 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.026 -0.026 18318
6797 1 17 . 1 1 21 21 GLN N N 18 118.500 118.500 120.592 -2.092 18318
6798 1 17 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.193 -0.153 18318
6799 1 17 . 1 1 21 21 GLN C C 18 177.200 177.200 177.682 -0.482 18318
6800 1 17 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.824 0.176 18318
6801 1 17 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.290 -0.590 18318
6802 1 17 . 1 1 21 21 GLN H H 18 8.560 8.560 7.694 0.866 18318
6803 1 17 . 1 1 22 22 TYR N N 19 120.700 120.700 120.589 0.111 18318
6804 1 17 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.753 -0.473 18318
6805 1 17 . 1 1 22 22 TYR C C 19 176.600 176.600 177.744 -1.144 18318
6806 1 17 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.663 1.437 18318
6807 1 17 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.629 0.271 18318
6808 1 17 . 1 1 22 22 TYR H H 19 8.120 8.120 8.853 -0.733 18318
6809 1 17 . 1 1 23 23 GLY N N 20 105.600 105.600 107.357 -1.757 18318
6810 1 17 . 1 1 23 23 GLY C C 20 176.700 176.700 175.887 0.813 18318
6811 1 17 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.888 0.212 18318
6812 1 17 . 1 1 23 23 GLY H H 20 8.390 8.390 7.963 0.427 18318
6813 1 17 . 1 1 24 24 GLN N N 21 120.300 120.300 121.350 -1.050 18318
6814 1 17 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.097 -0.047 18318
6815 1 17 . 1 1 24 24 GLN C C 21 178.000 178.000 178.186 -0.186 18318
6816 1 17 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.565 -0.965 18318
6817 1 17 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.618 -1.018 18318
6818 1 17 . 1 1 24 24 GLN H H 21 8.130 8.130 7.675 0.455 18318
6819 1 17 . 1 1 25 25 CYS N N 22 121.500 121.500 118.958 2.542 18318
6820 1 17 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.248 0.032 18318
6821 1 17 . 1 1 25 25 CYS C C 22 175.400 175.400 177.449 -2.049 18318
6822 1 17 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.516 -2.916 18318
6823 1 17 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.331 13.569 18318
6824 1 17 . 1 1 25 25 CYS H H 22 7.610 7.610 7.933 -0.323 18318
6825 1 17 . 1 1 26 26 VAL N N 23 119.900 119.900 118.262 1.638 18318
6826 1 17 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.029 -0.239 18318
6827 1 17 . 1 1 26 26 VAL C C 23 177.100 177.100 177.536 -0.436 18318
6828 1 17 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.232 0.668 18318
6829 1 17 . 1 1 26 26 VAL CB C 23 29.300 29.300 30.942 -1.642 18318
6830 1 17 . 1 1 26 26 VAL H H 23 8.040 8.040 7.605 0.435 18318
6831 1 17 . 1 1 27 27 ALA N N 24 117.400 117.400 122.074 -4.674 18318
6832 1 17 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.140 -0.040 18318
6833 1 17 . 1 1 27 27 ALA C C 24 178.600 178.600 179.024 -0.424 18318
6834 1 17 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.471 -0.371 18318
6835 1 17 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.877 -0.977 18318
6836 1 17 . 1 1 27 27 ALA H H 24 7.430 7.430 7.764 -0.334 18318
6837 1 17 . 1 1 28 28 ALA N N 25 116.100 116.100 120.981 -4.881 18318
6838 1 17 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.152 0.178 18318
6839 1 17 . 1 1 28 28 ALA C C 25 178.100 178.100 178.164 -0.064 18318
6840 1 17 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.846 -1.246 18318
6841 1 17 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.594 -0.494 18318
6842 1 17 . 1 1 28 28 ALA H H 25 7.120 7.120 7.943 -0.823 18318
6843 1 17 . 1 1 29 29 LYS N N 26 119.200 119.200 113.778 5.422 18318
6844 1 17 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.546 5.154 18318
6845 1 17 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.820 -2.720 18318
6846 1 17 . 1 1 29 29 LYS H H 26 7.560 7.560 7.571 -0.011 18318
6847 1 17 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.280 -0.070 18318
6848 1 17 . 1 1 30 30 PRO C C 27 177.000 177.000 178.243 -1.243 18318
6849 1 17 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.425 0.475 18318
6850 1 17 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.962 -0.362 18318
6851 1 17 . 1 1 31 31 GLU N N 28 114.600 114.600 118.196 -3.596 18318
6852 1 17 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.269 0.181 18318
6853 1 17 . 1 1 31 31 GLU C C 28 176.100 176.100 178.038 -1.938 18318
6854 1 17 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.193 -0.993 18318
6855 1 17 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.250 1.349 18318
6856 1 17 . 1 1 31 31 GLU H H 28 8.770 8.770 8.854 -0.084 18318
6857 1 17 . 1 1 32 32 SER N N 29 111.000 111.000 115.854 -4.854 18318
6858 1 17 . 1 1 32 32 SER HA H 29 4.510 4.510 4.230 0.280 18318
6859 1 17 . 1 1 32 32 SER C C 29 176.600 176.600 175.920 0.680 18318
6860 1 17 . 1 1 32 32 SER CA C 29 58.500 58.500 60.316 -1.816 18318
6861 1 17 . 1 1 32 32 SER CB C 29 63.800 63.800 62.627 1.173 18318
6862 1 17 . 1 1 32 32 SER H H 29 7.750 7.750 8.299 -0.549 18318
6863 1 17 . 1 1 33 33 TRP N N 30 125.000 125.000 123.825 1.175 18318
6864 1 17 . 1 1 33 33 TRP C C 30 177.200 177.200 177.197 0.003 18318
6865 1 17 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.419 -0.418 18318
6866 1 17 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.068 0.432 18318
6867 1 17 . 1 1 33 33 TRP H H 30 7.820 7.820 7.686 0.134 18318
6868 1 17 . 1 1 34 34 GLN N N 31 123.600 123.600 118.134 5.466 18318
6869 1 17 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.041 0.409 18318
6870 1 17 . 1 1 34 34 GLN C C 31 176.800 176.800 178.308 -1.508 18318
6871 1 17 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.885 2.015 18318
6872 1 17 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.997 -2.497 18318
6873 1 17 . 1 1 34 34 GLN H H 31 8.240 8.240 7.581 0.659 18318
6874 1 17 . 1 1 35 35 ARG N N 32 115.900 115.900 119.347 -3.447 18318
6875 1 17 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.996 0.284 18318
6876 1 17 . 1 1 35 35 ARG C C 32 178.900 178.900 177.931 0.969 18318
6877 1 17 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.140 -1.740 18318
6878 1 17 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.110 1.190 18318
6879 1 17 . 1 1 35 35 ARG H H 32 7.450 7.450 7.512 -0.062 18318
6880 1 17 . 1 1 36 36 ASP N N 33 117.700 117.700 118.498 -0.798 18318
6881 1 17 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.558 -0.418 18318
6882 1 17 . 1 1 36 36 ASP C C 33 177.600 177.600 177.196 0.404 18318
6883 1 17 . 1 1 36 36 ASP CA C 33 57.200 57.200 57.346 -0.146 18318
6884 1 17 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.916 -1.016 18318
6885 1 17 . 1 1 36 36 ASP H H 33 8.760 8.760 8.129 0.631 18318
6886 1 17 . 1 1 37 37 CYS N N 34 113.300 113.300 118.479 -5.179 18318
6887 1 17 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.684 0.716 18318
6888 1 17 . 1 1 37 37 CYS C C 34 175.800 175.800 174.303 1.497 18318
6889 1 17 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.947 -4.848 18318
6890 1 17 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.178 14.322 18318
6891 1 17 . 1 1 37 37 CYS H H 34 8.260 8.260 7.582 0.678 18318
6892 1 17 . 1 1 38 38 HIS N N 35 124.200 124.200 124.331 -0.131 18318
6893 1 17 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.405 -0.055 18318
6894 1 17 . 1 1 38 38 HIS C C 35 177.400 177.400 176.402 0.998 18318
6895 1 17 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.129 1.871 18318
6896 1 17 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.880 -0.280 18318
6897 1 17 . 1 1 38 38 HIS H H 35 7.520 7.520 8.075 -0.555 18318
6898 1 17 . 1 1 39 39 TYR N N 36 117.100 117.100 117.591 -0.491 18318
6899 1 17 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.329 -0.029 18318
6900 1 17 . 1 1 39 39 TYR C C 36 177.700 177.700 177.527 0.173 18318
6901 1 17 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.363 -0.763 18318
6902 1 17 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.105 -1.905 18318
6903 1 17 . 1 1 39 39 TYR H H 36 8.930 8.930 8.596 0.334 18318
6904 1 17 . 1 1 40 40 LEU N N 37 122.000 122.000 118.642 3.358 18318
6905 1 17 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.055 0.115 18318
6906 1 17 . 1 1 40 40 LEU C C 37 179.400 179.400 178.798 0.602 18318
6907 1 17 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.984 -1.484 18318
6908 1 17 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.402 0.998 18318
6909 1 17 . 1 1 40 40 LEU H H 37 6.940 6.940 8.029 -1.089 18318
6910 1 17 . 1 1 41 41 LYS N N 38 125.300 125.300 119.554 5.746 18318
6911 1 17 . 1 1 41 41 LYS C C 38 179.600 179.600 178.881 0.719 18318
6912 1 17 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.985 0.615 18318
6913 1 17 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.531 -0.531 18318
6914 1 17 . 1 1 41 41 LYS H H 38 7.880 7.880 7.468 0.412 18318
6915 1 17 . 1 1 42 42 MET N N 39 117.600 117.600 117.347 0.253 18318
6916 1 17 . 1 1 42 42 MET HA H 39 4.120 4.120 4.468 -0.348 18318
6917 1 17 . 1 1 42 42 MET C C 39 178.900 178.900 178.031 0.869 18318
6918 1 17 . 1 1 42 42 MET CA C 39 57.200 57.200 57.533 -0.334 18318
6919 1 17 . 1 1 42 42 MET CB C 39 30.000 30.000 32.864 -2.864 18318
6920 1 17 . 1 1 42 42 MET H H 39 8.090 8.090 7.541 0.549 18318
6921 1 17 . 1 1 43 43 SER N N 40 115.900 115.900 116.854 -0.954 18318
6922 1 17 . 1 1 43 43 SER HA H 40 4.290 4.290 4.373 -0.083 18318
6923 1 17 . 1 1 43 43 SER C C 40 177.400 177.400 176.555 0.845 18318
6924 1 17 . 1 1 43 43 SER CA C 40 61.700 61.700 61.475 0.225 18318
6925 1 17 . 1 1 43 43 SER CB C 40 62.500 62.500 63.576 -1.076 18318
6926 1 17 . 1 1 43 43 SER H H 40 7.600 7.600 7.958 -0.358 18318
6927 1 17 . 1 1 44 44 ILE N N 41 121.900 121.900 118.648 3.252 18318
6928 1 17 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.874 -0.334 18318
6929 1 17 . 1 1 44 44 ILE C C 41 177.500 177.500 177.084 0.416 18318
6930 1 17 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.191 1.909 18318
6931 1 17 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.243 0.657 18318
6932 1 17 . 1 1 44 44 ILE H H 41 7.540 7.540 8.409 -0.869 18318
6933 1 17 . 1 1 45 45 ALA N N 42 122.600 122.600 122.241 0.359 18318
6934 1 17 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.074 0.106 18318
6935 1 17 . 1 1 45 45 ALA C C 42 180.200 180.200 180.083 0.117 18318
6936 1 17 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.008 -0.208 18318
6937 1 17 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.331 -1.031 18318
6938 1 17 . 1 1 45 45 ALA H H 42 7.420 7.420 7.767 -0.347 18318
6939 1 17 . 1 1 46 46 GLN N N 43 118.400 118.400 117.615 0.785 18318
6940 1 17 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.116 -0.146 18318
6941 1 17 . 1 1 46 46 GLN C C 43 178.500 178.500 178.095 0.405 18318
6942 1 17 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.751 -0.051 18318
6943 1 17 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.304 -0.504 18318
6944 1 17 . 1 1 46 46 GLN H H 43 8.290 8.290 7.668 0.622 18318
6945 1 17 . 1 1 47 47 CYS N N 44 119.500 119.500 119.824 -0.324 18318
6946 1 17 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.242 -0.152 18318
6947 1 17 . 1 1 47 47 CYS C C 44 176.500 176.500 177.148 -0.648 18318
6948 1 17 . 1 1 47 47 CYS CA C 44 60.300 60.300 63.137 -2.837 18318
6949 1 17 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.725 13.175 18318
6950 1 17 . 1 1 47 47 CYS H H 44 7.590 7.590 7.874 -0.284 18318
6951 1 17 . 1 1 48 48 THR N N 45 113.000 113.000 113.376 -0.376 18318
6952 1 17 . 1 1 48 48 THR C C 45 175.900 175.900 175.972 -0.072 18318
6953 1 17 . 1 1 48 48 THR CA C 45 65.400 65.400 64.612 0.788 18318
6954 1 17 . 1 1 48 48 THR CB C 45 68.800 68.800 68.250 0.550 18318
6955 1 17 . 1 1 48 48 THR H H 45 8.810 8.810 7.893 0.917 18318
6956 1 17 . 1 1 49 49 SER N N 46 113.200 113.200 116.225 -3.025 18318
6957 1 17 . 1 1 49 49 SER HA H 46 4.380 4.380 4.311 0.069 18318
6958 1 17 . 1 1 49 49 SER C C 46 175.600 175.600 175.472 0.128 18318
6959 1 17 . 1 1 49 49 SER CA C 46 60.000 60.000 60.518 -0.518 18318
6960 1 17 . 1 1 49 49 SER CB C 46 63.900 63.900 63.912 -0.012 18318
6961 1 17 . 1 1 49 49 SER H H 46 7.890 7.890 7.806 0.084 18318
6962 1 17 . 1 1 50 50 SER N N 47 114.100 114.100 113.281 0.819 18318
6963 1 17 . 1 1 50 50 SER HA H 47 4.390 4.390 4.444 -0.054 18318
6964 1 17 . 1 1 50 50 SER CA C 47 59.100 59.100 58.831 0.269 18318
6965 1 17 . 1 1 50 50 SER CB C 47 64.800 64.800 64.860 -0.060 18318
6966 1 17 . 1 1 50 50 SER H H 47 7.770 7.770 8.344 -0.574 18318
6967 1 17 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.983 0.607 18318
6968 1 17 . 1 1 55 55 ARG C C 52 178.500 178.500 177.133 1.367 18318
6969 1 17 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.655 1.345 18318
6970 1 17 . 1 1 56 56 GLN N N 53 117.700 117.700 118.232 -0.532 18318
6971 1 17 . 1 1 56 56 GLN C C 53 175.000 175.000 178.416 -3.416 18318
6972 1 17 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.672 1.528 18318
6973 1 17 . 1 1 56 56 GLN H H 53 8.110 8.110 8.323 -0.213 18318
6974 1 17 . 1 1 57 57 ILE N N 54 121.200 121.200 117.948 3.252 18318
6975 1 17 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.732 -0.412 18318
6976 1 17 . 1 1 57 57 ILE C C 54 178.700 178.700 177.983 0.717 18318
6977 1 17 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.309 2.691 18318
6978 1 17 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.041 0.659 18318
6979 1 17 . 1 1 57 57 ILE H H 54 7.820 7.820 7.918 -0.098 18318
6980 1 17 . 1 1 58 58 ARG N N 55 118.900 118.900 118.921 -0.021 18318
6981 1 17 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.648 0.662 18318
6982 1 17 . 1 1 58 58 ARG C C 55 178.600 178.600 177.705 0.895 18318
6983 1 17 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.114 1.786 18318
6984 1 17 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.125 2.375 18318
6985 1 17 . 1 1 58 58 ARG H H 55 8.250 8.250 7.812 0.438 18318
6986 1 17 . 1 1 59 59 GLN N N 56 115.800 115.800 118.362 -2.562 18318
6987 1 17 . 1 1 59 59 GLN C C 56 178.100 178.100 177.022 1.078 18318
6988 1 17 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.093 -0.093 18318
6989 1 17 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.206 0.594 18318
6990 1 17 . 1 1 59 59 GLN H H 56 7.920 7.920 7.797 0.123 18318
6991 1 17 . 1 1 60 60 ALA N N 57 121.600 121.600 119.794 1.806 18318
6992 1 17 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.185 -0.005 18318
6993 1 17 . 1 1 60 60 ALA C C 57 179.600 179.600 178.382 1.218 18318
6994 1 17 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.842 0.658 18318
6995 1 17 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.213 -0.313 18318
6996 1 17 . 1 1 60 60 ALA H H 57 8.490 8.490 7.477 1.013 18318
6997 1 17 . 1 1 61 61 CYS N N 58 114.000 114.000 116.962 -2.962 18318
6998 1 17 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.462 0.668 18318
6999 1 17 . 1 1 61 61 CYS C C 58 175.000 175.000 174.193 0.807 18318
7000 1 17 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.553 -6.853 18318
7001 1 17 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.098 14.702 18318
7002 1 17 . 1 1 61 61 CYS H H 58 8.370 8.370 7.773 0.597 18318
7003 1 17 . 1 1 62 62 ALA N N 59 124.900 124.900 128.450 -3.550 18318
7004 1 17 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.454 -0.184 18318
7005 1 17 . 1 1 62 62 ALA C C 59 179.200 179.200 178.499 0.701 18318
7006 1 17 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.239 3.261 18318
7007 1 17 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.128 -1.327 18318
7008 1 17 . 1 1 62 62 ALA H H 59 7.200 7.200 8.148 -0.948 18318
7009 1 17 . 1 1 63 63 GLN N N 60 115.800 115.800 121.009 -5.209 18318
7010 1 17 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.123 0.357 18318
7011 1 17 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.661 0.539 18318
7012 1 17 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.893 -2.193 18318
7013 1 17 . 1 1 63 63 GLN H H 60 9.040 9.040 8.840 0.200 18318
7014 1 17 . 1 1 64 64 PRO C C 61 179.700 179.700 178.861 0.839 18318
7015 1 17 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.540 0.060 18318
7016 1 17 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.042 -0.242 18318
7017 1 17 . 1 1 65 65 PHE N N 62 120.500 120.500 119.881 0.619 18318
7018 1 17 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.326 -0.046 18318
7019 1 17 . 1 1 65 65 PHE C C 62 176.400 176.400 176.880 -0.480 18318
7020 1 17 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.545 1.855 18318
7021 1 17 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.912 -0.312 18318
7022 1 17 . 1 1 65 65 PHE H H 62 8.500 8.500 8.099 0.401 18318
7023 1 17 . 1 1 66 66 GLU N N 63 120.200 120.200 121.000 -0.800 18318
7024 1 17 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.687 0.343 18318
7025 1 17 . 1 1 66 66 GLU C C 63 179.300 179.300 178.412 0.888 18318
7026 1 17 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.485 -0.285 18318
7027 1 17 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.682 -1.182 18318
7028 1 17 . 1 1 66 66 GLU H H 63 8.900 8.900 8.514 0.386 18318
7029 1 17 . 1 1 67 67 ALA N N 64 120.600 120.600 122.523 -1.923 18318
7030 1 17 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.963 -0.093 18318
7031 1 17 . 1 1 67 67 ALA C C 64 180.500 180.500 179.566 0.934 18318
7032 1 17 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.035 -0.335 18318
7033 1 17 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.319 -0.219 18318
7034 1 17 . 1 1 67 67 ALA H H 64 8.150 8.150 7.402 0.748 18318
7035 1 17 . 1 1 68 68 PHE N N 65 120.000 120.000 119.083 0.917 18318
7036 1 17 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.086 0.234 18318
7037 1 17 . 1 1 68 68 PHE C C 65 175.400 175.400 177.124 -1.724 18318
7038 1 17 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.256 -0.456 18318
7039 1 17 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.950 -0.950 18318
7040 1 17 . 1 1 68 68 PHE H H 65 7.810 7.810 7.808 0.002 18318
7041 1 17 . 1 1 69 69 GLU N N 66 119.400 119.400 118.640 0.760 18318
7042 1 17 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.180 0.990 18318
7043 1 17 . 1 1 69 69 GLU C C 66 178.800 178.800 178.876 -0.076 18318
7044 1 17 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.944 1.256 18318
7045 1 17 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.542 0.558 18318
7046 1 17 . 1 1 69 69 GLU H H 66 8.330 8.330 7.991 0.339 18318
7047 1 17 . 1 1 70 70 GLU N N 67 118.600 118.600 118.760 -0.160 18318
7048 1 17 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.051 -0.081 18318
7049 1 17 . 1 1 70 70 GLU C C 67 177.700 177.700 178.440 -0.740 18318
7050 1 17 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.574 0.226 18318
7051 1 17 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.718 -1.018 18318
7052 1 17 . 1 1 70 70 GLU H H 67 8.240 8.240 7.839 0.401 18318
7053 1 17 . 1 1 71 71 CYS N N 68 119.100 119.100 119.167 -0.067 18318
7054 1 17 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.145 -0.065 18318
7055 1 17 . 1 1 71 71 CYS C C 68 177.900 177.900 177.224 0.676 18318
7056 1 17 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.106 -2.506 18318
7057 1 17 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.688 12.312 18318
7058 1 17 . 1 1 71 71 CYS H H 68 7.580 7.580 7.727 -0.147 18318
7059 1 17 . 1 1 72 72 LEU N N 69 122.000 122.000 117.717 4.283 18318
7060 1 17 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.054 -0.354 18318
7061 1 17 . 1 1 72 72 LEU C C 69 179.300 179.300 179.054 0.246 18318
7062 1 17 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.731 0.869 18318
7063 1 17 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.873 0.127 18318
7064 1 17 . 1 1 72 72 LEU H H 69 8.090 8.090 7.431 0.659 18318
7065 1 17 . 1 1 73 73 ARG N N 70 117.400 117.400 119.607 -2.207 18318
7066 1 17 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.893 0.117 18318
7067 1 17 . 1 1 73 73 ARG C C 70 178.500 178.500 177.925 0.575 18318
7068 1 17 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.851 -0.151 18318
7069 1 17 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.110 -0.010 18318
7070 1 17 . 1 1 73 73 ARG H H 70 7.600 7.600 7.292 0.308 18318
7071 1 17 . 1 1 74 74 GLN N N 71 115.800 115.800 114.540 1.260 18318
7072 1 17 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.453 -0.163 18318
7073 1 17 . 1 1 74 74 GLN C C 71 176.200 176.200 175.394 0.806 18318
7074 1 17 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.237 0.163 18318
7075 1 17 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.188 -0.988 18318
7076 1 17 . 1 1 74 74 GLN H H 71 7.580 7.580 7.600 -0.020 18318
7077 1 17 . 1 1 75 75 ASN N N 72 118.600 118.600 118.142 0.458 18318
7078 1 17 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.937 0.053 18318
7079 1 17 . 1 1 75 75 ASN C C 72 174.800 174.800 175.213 -0.413 18318
7080 1 17 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.923 0.077 18318
7081 1 17 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.852 0.948 18318
7082 1 17 . 1 1 75 75 ASN H H 72 7.750 7.750 7.805 -0.055 18318
7083 1 17 . 1 1 76 76 GLU N N 73 120.200 120.200 121.947 -1.747 18318
7084 1 17 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.905 0.055 18318
7085 1 17 . 1 1 76 76 GLU C C 73 176.800 176.800 176.800 0.000 18318
7086 1 17 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.400 -0.200 18318
7087 1 17 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.227 -0.127 18318
7088 1 17 . 1 1 76 76 GLU H H 73 7.950 7.950 8.058 -0.108 18318
7089 1 17 . 1 1 77 77 ALA N N 74 119.200 119.200 120.536 -1.336 18318
7090 1 17 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.454 -0.094 18318
7091 1 17 . 1 1 77 77 ALA C C 74 175.400 175.400 177.068 -1.668 18318
7092 1 17 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.729 0.371 18318
7093 1 17 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.084 0.116 18318
7094 1 17 . 1 1 77 77 ALA H H 74 8.320 8.320 8.026 0.294 18318
7095 1 17 . 1 1 78 78 ALA N N 75 124.400 124.400 122.665 1.735 18318
7096 1 17 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.621 -0.241 18318
7097 1 17 . 1 1 78 78 ALA C C 75 177.200 177.200 177.950 -0.750 18318
7098 1 17 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.447 -0.047 18318
7099 1 17 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.647 -1.647 18318
7100 1 17 . 1 1 78 78 ALA H H 75 7.900 7.900 7.466 0.434 18318
7101 1 17 . 1 1 79 79 VAL N N 76 118.400 118.400 118.775 -0.375 18318
7102 1 17 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.222 -0.432 18318
7103 1 17 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.774 1.326 18318
7104 1 17 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.679 0.621 18318
7105 1 17 . 1 1 79 79 VAL H H 76 8.100 8.100 8.305 -0.205 18318
7106 1 17 . 1 1 80 80 GLY C C 77 175.900 175.900 175.532 0.368 18318
7107 1 17 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.278 0.122 18318
7108 1 17 . 1 1 81 81 ASN N N 78 119.300 119.300 118.747 0.553 18318
7109 1 17 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.832 -0.232 18318
7110 1 17 . 1 1 81 81 ASN C C 78 176.700 176.700 175.406 1.294 18318
7111 1 17 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.081 0.419 18318
7112 1 17 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.671 -2.371 18318
7113 1 17 . 1 1 81 81 ASN H H 78 8.200 8.200 7.796 0.404 18318
7114 1 17 . 1 1 82 82 CYS N N 79 117.200 117.200 116.107 1.093 18318
7115 1 17 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.749 0.651 18318
7116 1 17 . 1 1 82 82 CYS C C 79 175.800 175.800 173.353 2.447 18318
7117 1 17 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.399 -3.899 18318
7118 1 17 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.328 9.973 18318
7119 1 17 . 1 1 82 82 CYS H H 79 8.330 8.330 8.093 0.237 18318
7120 1 17 . 1 1 83 83 ALA N N 80 125.000 125.000 125.091 -0.091 18318
7121 1 17 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.780 -0.630 18318
7122 1 17 . 1 1 83 83 ALA C C 80 179.900 179.900 177.447 2.453 18318
7123 1 17 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.047 4.153 18318
7124 1 17 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.206 -1.006 18318
7125 1 17 . 1 1 83 83 ALA H H 80 7.700 7.700 8.537 -0.837 18318
7126 1 17 . 1 1 84 84 GLU N N 81 118.900 118.900 120.009 -1.109 18318
7127 1 17 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.846 0.103 18318
7128 1 17 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.859 0.141 18318
7129 1 17 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.910 -0.010 18318
7130 1 17 . 1 1 84 84 GLU H H 81 8.920 8.920 8.956 -0.036 18318
7131 1 17 . 1 1 85 85 HIS C C 82 178.500 178.500 176.567 1.933 18318
7132 1 17 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.380 -1.280 18318
7133 1 17 . 1 1 86 86 MET N N 83 118.800 118.800 118.770 0.030 18318
7134 1 17 . 1 1 86 86 MET C C 83 177.200 177.200 178.439 -1.239 18318
7135 1 17 . 1 1 86 86 MET CA C 83 58.900 58.900 58.800 0.100 18318
7136 1 17 . 1 1 86 86 MET CB C 83 31.300 31.300 32.356 -1.056 18318
7137 1 17 . 1 1 86 86 MET H H 83 7.460 7.460 7.383 0.077 18318
7138 1 17 . 1 1 87 87 ARG N N 84 119.500 119.500 118.683 0.817 18318
7139 1 17 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.135 -0.225 18318
7140 1 17 . 1 1 87 87 ARG C C 84 178.600 178.600 178.973 -0.373 18318
7141 1 17 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.527 1.373 18318
7142 1 17 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.640 -0.140 18318
7143 1 17 . 1 1 87 87 ARG H H 84 8.220 8.220 7.654 0.566 18318
7144 1 17 . 1 1 88 88 ARG N N 85 117.900 117.900 119.575 -1.675 18318
7145 1 17 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.119 -0.199 18318
7146 1 17 . 1 1 88 88 ARG C C 85 179.700 179.700 178.646 1.054 18318
7147 1 17 . 1 1 88 88 ARG CA C 85 59.500 59.500 57.950 1.550 18318
7148 1 17 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.255 0.745 18318
7149 1 17 . 1 1 88 88 ARG H H 85 8.100 8.100 8.353 -0.253 18318
7150 1 17 . 1 1 89 89 PHE N N 86 119.700 119.700 120.816 -1.116 18318
7151 1 17 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.404 -0.054 18318
7152 1 17 . 1 1 89 89 PHE C C 86 175.600 175.600 177.127 -1.527 18318
7153 1 17 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.395 -0.295 18318
7154 1 17 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.462 -1.662 18318
7155 1 17 . 1 1 89 89 PHE H H 86 7.930 7.930 7.916 0.014 18318
7156 1 17 . 1 1 90 90 LEU N N 87 120.400 120.400 119.222 1.178 18318
7157 1 17 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.175 -0.465 18318
7158 1 17 . 1 1 90 90 LEU C C 87 179.200 179.200 178.664 0.536 18318
7159 1 17 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.013 0.687 18318
7160 1 17 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.162 -1.862 18318
7161 1 17 . 1 1 90 90 LEU H H 87 8.640 8.640 7.571 1.069 18318
7162 1 17 . 1 1 91 91 GLN N N 88 118.200 118.200 119.167 -0.967 18318
7163 1 17 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.185 -0.145 18318
7164 1 17 . 1 1 91 91 GLN C C 88 178.000 178.000 178.421 -0.421 18318
7165 1 17 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.112 -0.412 18318
7166 1 17 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.573 -0.573 18318
7167 1 17 . 1 1 91 91 GLN H H 88 8.380 8.380 8.530 -0.150 18318
7168 1 17 . 1 1 92 92 CYS N N 89 119.000 119.000 117.591 1.409 18318
7169 1 17 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.400 -0.350 18318
7170 1 17 . 1 1 92 92 CYS C C 89 176.600 176.600 177.243 -0.643 18318
7171 1 17 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.705 -1.605 18318
7172 1 17 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.872 13.629 18318
7173 1 17 . 1 1 92 92 CYS H H 89 7.390 7.390 7.748 -0.358 18318
7174 1 17 . 1 1 93 93 ALA N N 90 122.900 122.900 122.216 0.684 18318
7175 1 17 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.064 -0.154 18318
7176 1 17 . 1 1 93 93 ALA C C 90 179.200 179.200 178.894 0.306 18318
7177 1 17 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.612 0.088 18318
7178 1 17 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.125 -0.325 18318
7179 1 17 . 1 1 93 93 ALA H H 90 8.410 8.410 7.610 0.800 18318
7180 1 17 . 1 1 94 94 GLU N N 91 115.800 115.800 119.228 -3.428 18318
7181 1 17 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.007 0.143 18318
7182 1 17 . 1 1 94 94 GLU C C 91 177.400 177.400 178.625 -1.225 18318
7183 1 17 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.532 -0.632 18318
7184 1 17 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.562 -0.162 18318
7185 1 17 . 1 1 94 94 GLU H H 91 7.880 7.880 7.764 0.116 18318
7186 1 17 . 1 1 95 95 GLN N N 92 115.500 115.500 118.088 -2.588 18318
7187 1 17 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.046 0.244 18318
7188 1 17 . 1 1 95 95 GLN C C 92 176.600 176.600 176.244 0.356 18318
7189 1 17 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.062 -1.762 18318
7190 1 17 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.260 -0.360 18318
7191 1 17 . 1 1 95 95 GLN H H 92 7.450 7.450 7.856 -0.406 18318
7192 1 18 . 1 1 15 15 CYS N N 12 117.500 117.500 124.731 -7.231 18318
7193 1 18 . 1 1 15 15 CYS C C 12 175.500 175.500 174.926 0.574 18318
7194 1 18 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.770 -4.069 18318
7195 1 18 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.389 7.311 18318
7196 1 18 . 1 1 15 15 CYS H H 12 8.280 8.280 7.826 0.454 18318
7197 1 18 . 1 1 16 16 GLY N N 13 108.700 108.700 110.363 -1.663 18318
7198 1 18 . 1 1 16 16 GLY C C 13 176.600 176.600 174.988 1.612 18318
7199 1 18 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.133 1.767 18318
7200 1 18 . 1 1 16 16 GLY H H 13 8.080 8.080 8.776 -0.696 18318
7201 1 18 . 1 1 17 17 ARG N N 14 123.300 123.300 121.362 1.938 18318
7202 1 18 . 1 1 17 17 ARG HA H 14 3.960 3.960 3.960 0.000 18318
7203 1 18 . 1 1 17 17 ARG C C 14 179.300 179.300 177.524 1.776 18318
7204 1 18 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.874 1.325 18318
7205 1 18 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.864 0.235 18318
7206 1 18 . 1 1 17 17 ARG H H 14 8.630 8.630 8.263 0.367 18318
7207 1 18 . 1 1 18 18 GLU N N 15 121.900 121.900 120.162 1.738 18318
7208 1 18 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.059 0.111 18318
7209 1 18 . 1 1 18 18 GLU C C 15 177.900 177.900 178.266 -0.366 18318
7210 1 18 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.474 1.626 18318
7211 1 18 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.251 -1.051 18318
7212 1 18 . 1 1 18 18 GLU H H 15 9.670 9.670 8.302 1.369 18318
7213 1 18 . 1 1 19 19 LEU N N 16 119.400 119.400 120.538 -1.138 18318
7214 1 18 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.010 1.890 18318
7215 1 18 . 1 1 19 19 LEU H H 16 8.090 8.090 7.695 0.395 18318
7216 1 18 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.848 -0.168 18318
7217 1 18 . 1 1 20 20 GLU C C 17 177.200 177.200 178.873 -1.673 18318
7218 1 18 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.784 -0.484 18318
7219 1 18 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.741 -0.741 18318
7220 1 18 . 1 1 21 21 GLN N N 18 118.500 118.500 118.995 -0.495 18318
7221 1 18 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.065 -0.025 18318
7222 1 18 . 1 1 21 21 GLN C C 18 177.200 177.200 178.214 -1.014 18318
7223 1 18 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.984 0.016 18318
7224 1 18 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.686 0.015 18318
7225 1 18 . 1 1 21 21 GLN H H 18 8.560 8.560 7.798 0.762 18318
7226 1 18 . 1 1 22 22 TYR N N 19 120.700 120.700 120.363 0.337 18318
7227 1 18 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.407 -0.127 18318
7228 1 18 . 1 1 22 22 TYR C C 19 176.600 176.600 178.095 -1.495 18318
7229 1 18 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.712 1.388 18318
7230 1 18 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.184 0.717 18318
7231 1 18 . 1 1 22 22 TYR H H 19 8.120 8.120 8.916 -0.796 18318
7232 1 18 . 1 1 23 23 GLY N N 20 105.600 105.600 105.596 0.004 18318
7233 1 18 . 1 1 23 23 GLY C C 20 176.700 176.700 176.030 0.670 18318
7234 1 18 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.696 0.404 18318
7235 1 18 . 1 1 23 23 GLY H H 20 8.390 8.390 8.156 0.234 18318
7236 1 18 . 1 1 24 24 GLN N N 21 120.300 120.300 121.890 -1.590 18318
7237 1 18 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.174 -0.124 18318
7238 1 18 . 1 1 24 24 GLN C C 21 178.000 178.000 178.278 -0.278 18318
7239 1 18 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.991 -0.391 18318
7240 1 18 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.480 -0.880 18318
7241 1 18 . 1 1 24 24 GLN H H 21 8.130 8.130 7.565 0.565 18318
7242 1 18 . 1 1 25 25 CYS N N 22 121.500 121.500 118.553 2.947 18318
7243 1 18 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.519 -0.239 18318
7244 1 18 . 1 1 25 25 CYS C C 22 175.400 175.400 177.603 -2.203 18318
7245 1 18 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.854 -2.254 18318
7246 1 18 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.401 13.499 18318
7247 1 18 . 1 1 25 25 CYS H H 22 7.610 7.610 8.147 -0.537 18318
7248 1 18 . 1 1 26 26 VAL N N 23 119.900 119.900 118.467 1.433 18318
7249 1 18 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.183 -0.393 18318
7250 1 18 . 1 1 26 26 VAL C C 23 177.100 177.100 177.176 -0.076 18318
7251 1 18 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.864 1.036 18318
7252 1 18 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.750 -2.450 18318
7253 1 18 . 1 1 26 26 VAL H H 23 8.040 8.040 7.335 0.705 18318
7254 1 18 . 1 1 27 27 ALA N N 24 117.400 117.400 122.091 -4.691 18318
7255 1 18 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.095 0.005 18318
7256 1 18 . 1 1 27 27 ALA C C 24 178.600 178.600 178.941 -0.341 18318
7257 1 18 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.530 -0.430 18318
7258 1 18 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.569 -0.669 18318
7259 1 18 . 1 1 27 27 ALA H H 24 7.430 7.430 7.520 -0.090 18318
7260 1 18 . 1 1 28 28 ALA N N 25 116.100 116.100 121.032 -4.932 18318
7261 1 18 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.147 0.183 18318
7262 1 18 . 1 1 28 28 ALA C C 25 178.100 178.100 178.043 0.057 18318
7263 1 18 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.946 -1.346 18318
7264 1 18 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.498 -0.398 18318
7265 1 18 . 1 1 28 28 ALA H H 25 7.120 7.120 8.029 -0.909 18318
7266 1 18 . 1 1 29 29 LYS N N 26 119.200 119.200 113.737 5.463 18318
7267 1 18 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.671 5.029 18318
7268 1 18 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.666 -2.566 18318
7269 1 18 . 1 1 29 29 LYS H H 26 7.560 7.560 7.366 0.194 18318
7270 1 18 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.340 -0.130 18318
7271 1 18 . 1 1 30 30 PRO C C 27 177.000 177.000 178.433 -1.433 18318
7272 1 18 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.454 0.446 18318
7273 1 18 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.105 -0.505 18318
7274 1 18 . 1 1 31 31 GLU N N 28 114.600 114.600 118.116 -3.516 18318
7275 1 18 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.330 0.120 18318
7276 1 18 . 1 1 31 31 GLU C C 28 176.100 176.100 178.599 -2.499 18318
7277 1 18 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.100 -0.900 18318
7278 1 18 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.962 0.638 18318
7279 1 18 . 1 1 31 31 GLU H H 28 8.770 8.770 8.626 0.144 18318
7280 1 18 . 1 1 32 32 SER N N 29 111.000 111.000 114.944 -3.944 18318
7281 1 18 . 1 1 32 32 SER HA H 29 4.510 4.510 4.291 0.219 18318
7282 1 18 . 1 1 32 32 SER C C 29 176.600 176.600 175.694 0.906 18318
7283 1 18 . 1 1 32 32 SER CA C 29 58.500 58.500 61.078 -2.578 18318
7284 1 18 . 1 1 32 32 SER CB C 29 63.800 63.800 62.671 1.129 18318
7285 1 18 . 1 1 32 32 SER H H 29 7.750 7.750 8.349 -0.599 18318
7286 1 18 . 1 1 33 33 TRP N N 30 125.000 125.000 124.135 0.865 18318
7287 1 18 . 1 1 33 33 TRP C C 30 177.200 177.200 177.713 -0.513 18318
7288 1 18 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.288 -1.288 18318
7289 1 18 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.752 0.748 18318
7290 1 18 . 1 1 33 33 TRP H H 30 7.820 7.820 7.634 0.186 18318
7291 1 18 . 1 1 34 34 GLN N N 31 123.600 123.600 114.776 8.824 18318
7292 1 18 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.771 0.679 18318
7293 1 18 . 1 1 34 34 GLN C C 31 176.800 176.800 177.111 -0.311 18318
7294 1 18 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.735 2.165 18318
7295 1 18 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.542 -2.042 18318
7296 1 18 . 1 1 34 34 GLN H H 31 8.240 8.240 7.438 0.802 18318
7297 1 18 . 1 1 35 35 ARG N N 32 115.900 115.900 118.277 -2.377 18318
7298 1 18 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.885 0.395 18318
7299 1 18 . 1 1 35 35 ARG C C 32 178.900 178.900 178.036 0.864 18318
7300 1 18 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.735 -1.335 18318
7301 1 18 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.324 0.976 18318
7302 1 18 . 1 1 35 35 ARG H H 32 7.450 7.450 7.295 0.155 18318
7303 1 18 . 1 1 36 36 ASP N N 33 117.700 117.700 119.379 -1.679 18318
7304 1 18 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.508 -0.368 18318
7305 1 18 . 1 1 36 36 ASP C C 33 177.600 177.600 177.169 0.431 18318
7306 1 18 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.420 0.780 18318
7307 1 18 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.153 -0.253 18318
7308 1 18 . 1 1 36 36 ASP H H 33 8.760 8.760 8.408 0.352 18318
7309 1 18 . 1 1 37 37 CYS N N 34 113.300 113.300 115.682 -2.382 18318
7310 1 18 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.840 0.560 18318
7311 1 18 . 1 1 37 37 CYS C C 34 175.800 175.800 174.418 1.382 18318
7312 1 18 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.806 -3.706 18318
7313 1 18 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.976 13.524 18318
7314 1 18 . 1 1 37 37 CYS H H 34 8.260 8.260 7.718 0.542 18318
7315 1 18 . 1 1 38 38 HIS N N 35 124.200 124.200 125.144 -0.944 18318
7316 1 18 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.328 0.022 18318
7317 1 18 . 1 1 38 38 HIS C C 35 177.400 177.400 176.036 1.364 18318
7318 1 18 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.654 2.346 18318
7319 1 18 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.953 -0.353 18318
7320 1 18 . 1 1 38 38 HIS H H 35 7.520 7.520 8.499 -0.979 18318
7321 1 18 . 1 1 39 39 TYR N N 36 117.100 117.100 118.989 -1.889 18318
7322 1 18 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.293 0.007 18318
7323 1 18 . 1 1 39 39 TYR C C 36 177.700 177.700 177.168 0.532 18318
7324 1 18 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.129 -0.529 18318
7325 1 18 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.256 -2.056 18318
7326 1 18 . 1 1 39 39 TYR H H 36 8.930 8.930 8.595 0.335 18318
7327 1 18 . 1 1 40 40 LEU N N 37 122.000 122.000 117.257 4.743 18318
7328 1 18 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.152 0.018 18318
7329 1 18 . 1 1 40 40 LEU C C 37 179.400 179.400 178.858 0.542 18318
7330 1 18 . 1 1 40 40 LEU CA C 37 56.500 56.500 56.949 -0.449 18318
7331 1 18 . 1 1 40 40 LEU CB C 37 42.400 42.400 40.829 1.571 18318
7332 1 18 . 1 1 40 40 LEU H H 37 6.940 6.940 8.268 -1.328 18318
7333 1 18 . 1 1 41 41 LYS N N 38 125.300 125.300 120.483 4.817 18318
7334 1 18 . 1 1 41 41 LYS C C 38 179.600 179.600 178.375 1.225 18318
7335 1 18 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.873 0.727 18318
7336 1 18 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.773 -1.773 18318
7337 1 18 . 1 1 41 41 LYS H H 38 7.880 7.880 7.276 0.604 18318
7338 1 18 . 1 1 42 42 MET N N 39 117.600 117.600 119.717 -2.117 18318
7339 1 18 . 1 1 42 42 MET HA H 39 4.120 4.120 4.027 0.093 18318
7340 1 18 . 1 1 42 42 MET C C 39 178.900 178.900 178.124 0.776 18318
7341 1 18 . 1 1 42 42 MET CA C 39 57.200 57.200 59.262 -2.062 18318
7342 1 18 . 1 1 42 42 MET CB C 39 30.000 30.000 32.495 -2.495 18318
7343 1 18 . 1 1 42 42 MET H H 39 8.090 8.090 7.573 0.517 18318
7344 1 18 . 1 1 43 43 SER N N 40 115.900 115.900 114.663 1.237 18318
7345 1 18 . 1 1 43 43 SER HA H 40 4.290 4.290 4.063 0.227 18318
7346 1 18 . 1 1 43 43 SER C C 40 177.400 177.400 176.555 0.845 18318
7347 1 18 . 1 1 43 43 SER CA C 40 61.700 61.700 61.749 -0.049 18318
7348 1 18 . 1 1 43 43 SER CB C 40 62.500 62.500 62.832 -0.332 18318
7349 1 18 . 1 1 43 43 SER H H 40 7.600 7.600 7.916 -0.316 18318
7350 1 18 . 1 1 44 44 ILE N N 41 121.900 121.900 120.206 1.694 18318
7351 1 18 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.873 -0.333 18318
7352 1 18 . 1 1 44 44 ILE C C 41 177.500 177.500 177.835 -0.335 18318
7353 1 18 . 1 1 44 44 ILE CA C 41 66.100 66.100 62.196 3.904 18318
7354 1 18 . 1 1 44 44 ILE CB C 41 37.900 37.900 36.609 1.291 18318
7355 1 18 . 1 1 44 44 ILE H H 41 7.540 7.540 7.442 0.098 18318
7356 1 18 . 1 1 45 45 ALA N N 42 122.600 122.600 121.022 1.578 18318
7357 1 18 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.417 -0.237 18318
7358 1 18 . 1 1 45 45 ALA C C 42 180.200 180.200 179.315 0.885 18318
7359 1 18 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.062 0.738 18318
7360 1 18 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.439 -1.139 18318
7361 1 18 . 1 1 45 45 ALA H H 42 7.420 7.420 7.852 -0.432 18318
7362 1 18 . 1 1 46 46 GLN N N 43 118.400 118.400 118.428 -0.028 18318
7363 1 18 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.104 -0.134 18318
7364 1 18 . 1 1 46 46 GLN C C 43 178.500 178.500 178.571 -0.071 18318
7365 1 18 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.650 0.050 18318
7366 1 18 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.037 -1.237 18318
7367 1 18 . 1 1 46 46 GLN H H 43 8.290 8.290 7.691 0.599 18318
7368 1 18 . 1 1 47 47 CYS N N 44 119.500 119.500 115.943 3.557 18318
7369 1 18 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.319 -0.229 18318
7370 1 18 . 1 1 47 47 CYS C C 44 176.500 176.500 176.827 -0.327 18318
7371 1 18 . 1 1 47 47 CYS CA C 44 60.300 60.300 60.750 -0.450 18318
7372 1 18 . 1 1 47 47 CYS CB C 44 39.900 39.900 25.783 14.117 18318
7373 1 18 . 1 1 47 47 CYS H H 44 7.590 7.590 7.733 -0.143 18318
7374 1 18 . 1 1 48 48 THR N N 45 113.000 113.000 116.342 -3.342 18318
7375 1 18 . 1 1 48 48 THR C C 45 175.900 175.900 176.279 -0.379 18318
7376 1 18 . 1 1 48 48 THR CA C 45 65.400 65.400 64.153 1.247 18318
7377 1 18 . 1 1 48 48 THR CB C 45 68.800 68.800 67.854 0.946 18318
7378 1 18 . 1 1 48 48 THR H H 45 8.810 8.810 7.723 1.087 18318
7379 1 18 . 1 1 49 49 SER N N 46 113.200 113.200 116.769 -3.569 18318
7380 1 18 . 1 1 49 49 SER HA H 46 4.380 4.380 4.201 0.179 18318
7381 1 18 . 1 1 49 49 SER C C 46 175.600 175.600 175.164 0.436 18318
7382 1 18 . 1 1 49 49 SER CA C 46 60.000 60.000 60.067 -0.067 18318
7383 1 18 . 1 1 49 49 SER CB C 46 63.900 63.900 62.972 0.928 18318
7384 1 18 . 1 1 49 49 SER H H 46 7.890 7.890 7.906 -0.016 18318
7385 1 18 . 1 1 50 50 SER N N 47 114.100 114.100 114.640 -0.540 18318
7386 1 18 . 1 1 50 50 SER HA H 47 4.390 4.390 4.293 0.097 18318
7387 1 18 . 1 1 50 50 SER CA C 47 59.100 59.100 60.346 -1.246 18318
7388 1 18 . 1 1 50 50 SER CB C 47 64.800 64.800 63.398 1.402 18318
7389 1 18 . 1 1 50 50 SER H H 47 7.770 7.770 7.718 0.052 18318
7390 1 18 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.180 0.410 18318
7391 1 18 . 1 1 55 55 ARG C C 52 178.500 178.500 178.133 0.367 18318
7392 1 18 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.166 1.834 18318
7393 1 18 . 1 1 56 56 GLN N N 53 117.700 117.700 119.703 -2.003 18318
7394 1 18 . 1 1 56 56 GLN C C 53 175.000 175.000 178.423 -3.423 18318
7395 1 18 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.588 0.612 18318
7396 1 18 . 1 1 56 56 GLN H H 53 8.110 8.110 8.525 -0.415 18318
7397 1 18 . 1 1 57 57 ILE N N 54 121.200 121.200 118.135 3.065 18318
7398 1 18 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.834 -0.514 18318
7399 1 18 . 1 1 57 57 ILE C C 54 178.700 178.700 178.238 0.462 18318
7400 1 18 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.026 1.974 18318
7401 1 18 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.324 1.377 18318
7402 1 18 . 1 1 57 57 ILE H H 54 7.820 7.820 8.206 -0.386 18318
7403 1 18 . 1 1 58 58 ARG N N 55 118.900 118.900 118.644 0.256 18318
7404 1 18 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.160 0.150 18318
7405 1 18 . 1 1 58 58 ARG C C 55 178.600 178.600 178.491 0.109 18318
7406 1 18 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.370 1.530 18318
7407 1 18 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.651 1.849 18318
7408 1 18 . 1 1 58 58 ARG H H 55 8.250 8.250 7.631 0.619 18318
7409 1 18 . 1 1 59 59 GLN N N 56 115.800 115.800 118.461 -2.661 18318
7410 1 18 . 1 1 59 59 GLN C C 56 178.100 178.100 176.217 1.883 18318
7411 1 18 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.236 -0.236 18318
7412 1 18 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.658 0.142 18318
7413 1 18 . 1 1 59 59 GLN H H 56 7.920 7.920 7.807 0.113 18318
7414 1 18 . 1 1 60 60 ALA N N 57 121.600 121.600 119.975 1.625 18318
7415 1 18 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.514 -0.334 18318
7416 1 18 . 1 1 60 60 ALA C C 57 179.600 179.600 177.434 2.166 18318
7417 1 18 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.245 3.255 18318
7418 1 18 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.199 -0.299 18318
7419 1 18 . 1 1 60 60 ALA H H 57 8.490 8.490 7.449 1.041 18318
7420 1 18 . 1 1 61 61 CYS N N 58 114.000 114.000 118.697 -4.697 18318
7421 1 18 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.321 0.809 18318
7422 1 18 . 1 1 61 61 CYS C C 58 175.000 175.000 176.099 -1.099 18318
7423 1 18 . 1 1 61 61 CYS CA C 58 52.700 52.700 58.256 -5.556 18318
7424 1 18 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.300 13.500 18318
7425 1 18 . 1 1 61 61 CYS H H 58 8.370 8.370 7.708 0.662 18318
7426 1 18 . 1 1 62 62 ALA N N 59 124.900 124.900 127.595 -2.695 18318
7427 1 18 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.224 0.046 18318
7428 1 18 . 1 1 62 62 ALA C C 59 179.200 179.200 178.737 0.463 18318
7429 1 18 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.914 2.586 18318
7430 1 18 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.585 -0.785 18318
7431 1 18 . 1 1 62 62 ALA H H 59 7.200 7.200 8.444 -1.244 18318
7432 1 18 . 1 1 63 63 GLN N N 60 115.800 115.800 119.223 -3.423 18318
7433 1 18 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.129 0.351 18318
7434 1 18 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.636 0.564 18318
7435 1 18 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.813 -2.113 18318
7436 1 18 . 1 1 63 63 GLN H H 60 9.040 9.040 8.679 0.361 18318
7437 1 18 . 1 1 64 64 PRO C C 61 179.700 179.700 178.270 1.430 18318
7438 1 18 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.088 0.512 18318
7439 1 18 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.127 -0.327 18318
7440 1 18 . 1 1 65 65 PHE N N 62 120.500 120.500 119.505 0.995 18318
7441 1 18 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.403 -0.123 18318
7442 1 18 . 1 1 65 65 PHE C C 62 176.400 176.400 177.232 -0.832 18318
7443 1 18 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.425 1.975 18318
7444 1 18 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.644 -1.044 18318
7445 1 18 . 1 1 65 65 PHE H H 62 8.500 8.500 7.310 1.190 18318
7446 1 18 . 1 1 66 66 GLU N N 63 120.200 120.200 120.263 -0.063 18318
7447 1 18 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.172 -0.142 18318
7448 1 18 . 1 1 66 66 GLU C C 63 179.300 179.300 178.721 0.579 18318
7449 1 18 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.453 -0.253 18318
7450 1 18 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.804 -1.304 18318
7451 1 18 . 1 1 66 66 GLU H H 63 8.900 8.900 8.450 0.450 18318
7452 1 18 . 1 1 67 67 ALA N N 64 120.600 120.600 120.895 -0.295 18318
7453 1 18 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.084 -0.214 18318
7454 1 18 . 1 1 67 67 ALA C C 64 180.500 180.500 178.382 2.118 18318
7455 1 18 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.870 -0.170 18318
7456 1 18 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.477 -0.377 18318
7457 1 18 . 1 1 67 67 ALA H H 64 8.150 8.150 7.701 0.449 18318
7458 1 18 . 1 1 68 68 PHE N N 65 120.000 120.000 118.019 1.981 18318
7459 1 18 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.414 -0.094 18318
7460 1 18 . 1 1 68 68 PHE C C 65 175.400 175.400 176.398 -0.998 18318
7461 1 18 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.572 0.228 18318
7462 1 18 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.878 -1.878 18318
7463 1 18 . 1 1 68 68 PHE H H 65 7.810 7.810 7.581 0.229 18318
7464 1 18 . 1 1 69 69 GLU N N 66 119.400 119.400 119.757 -0.357 18318
7465 1 18 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.487 0.683 18318
7466 1 18 . 1 1 69 69 GLU C C 66 178.800 178.800 178.835 -0.035 18318
7467 1 18 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.838 1.362 18318
7468 1 18 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.879 0.221 18318
7469 1 18 . 1 1 69 69 GLU H H 66 8.330 8.330 8.070 0.260 18318
7470 1 18 . 1 1 70 70 GLU N N 67 118.600 118.600 119.897 -1.297 18318
7471 1 18 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.097 -0.127 18318
7472 1 18 . 1 1 70 70 GLU C C 67 177.700 177.700 178.461 -0.761 18318
7473 1 18 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.257 -0.457 18318
7474 1 18 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.752 -1.052 18318
7475 1 18 . 1 1 70 70 GLU H H 67 8.240 8.240 8.012 0.228 18318
7476 1 18 . 1 1 71 71 CYS N N 68 119.100 119.100 118.869 0.231 18318
7477 1 18 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.236 -0.156 18318
7478 1 18 . 1 1 71 71 CYS C C 68 177.900 177.900 177.173 0.727 18318
7479 1 18 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.181 -1.581 18318
7480 1 18 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.599 12.401 18318
7481 1 18 . 1 1 71 71 CYS H H 68 7.580 7.580 7.655 -0.075 18318
7482 1 18 . 1 1 72 72 LEU N N 69 122.000 122.000 117.956 4.044 18318
7483 1 18 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.121 -0.421 18318
7484 1 18 . 1 1 72 72 LEU C C 69 179.300 179.300 179.192 0.108 18318
7485 1 18 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.714 0.886 18318
7486 1 18 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.896 0.104 18318
7487 1 18 . 1 1 72 72 LEU H H 69 8.090 8.090 7.391 0.699 18318
7488 1 18 . 1 1 73 73 ARG N N 70 117.400 117.400 118.295 -0.895 18318
7489 1 18 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.928 0.082 18318
7490 1 18 . 1 1 73 73 ARG C C 70 178.500 178.500 178.006 0.494 18318
7491 1 18 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.988 -0.288 18318
7492 1 18 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.021 0.079 18318
7493 1 18 . 1 1 73 73 ARG H H 70 7.600 7.600 7.569 0.031 18318
7494 1 18 . 1 1 74 74 GLN N N 71 115.800 115.800 115.043 0.757 18318
7495 1 18 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.391 -0.101 18318
7496 1 18 . 1 1 74 74 GLN C C 71 176.200 176.200 175.571 0.629 18318
7497 1 18 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.273 0.127 18318
7498 1 18 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.320 -1.120 18318
7499 1 18 . 1 1 74 74 GLN H H 71 7.580 7.580 7.801 -0.221 18318
7500 1 18 . 1 1 75 75 ASN N N 72 118.600 118.600 117.819 0.781 18318
7501 1 18 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.889 0.101 18318
7502 1 18 . 1 1 75 75 ASN C C 72 174.800 174.800 175.121 -0.321 18318
7503 1 18 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.214 -0.214 18318
7504 1 18 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.947 0.853 18318
7505 1 18 . 1 1 75 75 ASN H H 72 7.750 7.750 7.721 0.029 18318
7506 1 18 . 1 1 76 76 GLU N N 73 120.200 120.200 122.833 -2.633 18318
7507 1 18 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.957 0.003 18318
7508 1 18 . 1 1 76 76 GLU C C 73 176.800 176.800 176.539 0.261 18318
7509 1 18 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.206 -0.006 18318
7510 1 18 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.820 -0.720 18318
7511 1 18 . 1 1 76 76 GLU H H 73 7.950 7.950 8.225 -0.275 18318
7512 1 18 . 1 1 77 77 ALA N N 74 119.200 119.200 120.749 -1.549 18318
7513 1 18 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.487 -0.127 18318
7514 1 18 . 1 1 77 77 ALA C C 74 175.400 175.400 177.298 -1.898 18318
7515 1 18 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.855 -0.755 18318
7516 1 18 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.592 -0.392 18318
7517 1 18 . 1 1 77 77 ALA H H 74 8.320 8.320 8.134 0.186 18318
7518 1 18 . 1 1 78 78 ALA N N 75 124.400 124.400 120.761 3.639 18318
7519 1 18 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.558 -0.178 18318
7520 1 18 . 1 1 78 78 ALA C C 75 177.200 177.200 178.353 -1.153 18318
7521 1 18 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.813 -0.413 18318
7522 1 18 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.015 -0.015 18318
7523 1 18 . 1 1 78 78 ALA H H 75 7.900 7.900 7.904 -0.004 18318
7524 1 18 . 1 1 79 79 VAL N N 76 118.400 118.400 118.190 0.210 18318
7525 1 18 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.805 -0.015 18318
7526 1 18 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.071 2.029 18318
7527 1 18 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.902 0.398 18318
7528 1 18 . 1 1 79 79 VAL H H 76 8.100 8.100 7.964 0.136 18318
7529 1 18 . 1 1 80 80 GLY C C 77 175.900 175.900 175.483 0.417 18318
7530 1 18 . 1 1 80 80 GLY CA C 77 46.400 46.400 47.024 -0.624 18318
7531 1 18 . 1 1 81 81 ASN N N 78 119.300 119.300 117.000 2.300 18318
7532 1 18 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.881 -0.281 18318
7533 1 18 . 1 1 81 81 ASN C C 78 176.700 176.700 174.861 1.839 18318
7534 1 18 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.049 1.451 18318
7535 1 18 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.238 -2.938 18318
7536 1 18 . 1 1 81 81 ASN H H 78 8.200 8.200 7.865 0.335 18318
7537 1 18 . 1 1 82 82 CYS N N 79 117.200 117.200 117.659 -0.459 18318
7538 1 18 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.641 0.759 18318
7539 1 18 . 1 1 82 82 CYS C C 79 175.800 175.800 173.471 2.329 18318
7540 1 18 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.712 -4.212 18318
7541 1 18 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.012 10.288 18318
7542 1 18 . 1 1 82 82 CYS H H 79 8.330 8.330 7.530 0.800 18318
7543 1 18 . 1 1 83 83 ALA N N 80 125.000 125.000 123.548 1.452 18318
7544 1 18 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.681 -0.531 18318
7545 1 18 . 1 1 83 83 ALA C C 80 179.900 179.900 176.811 3.089 18318
7546 1 18 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.354 4.846 18318
7547 1 18 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.110 -2.910 18318
7548 1 18 . 1 1 83 83 ALA H H 80 7.700 7.700 8.202 -0.502 18318
7549 1 18 . 1 1 84 84 GLU N N 81 118.900 118.900 124.947 -6.047 18318
7550 1 18 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.557 -0.607 18318
7551 1 18 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.492 0.508 18318
7552 1 18 . 1 1 84 84 GLU CB C 81 28.900 28.900 30.078 -1.178 18318
7553 1 18 . 1 1 84 84 GLU H H 81 8.920 8.920 8.788 0.132 18318
7554 1 18 . 1 1 85 85 HIS C C 82 178.500 178.500 177.304 1.196 18318
7555 1 18 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.123 -2.022 18318
7556 1 18 . 1 1 86 86 MET N N 83 118.800 118.800 119.077 -0.277 18318
7557 1 18 . 1 1 86 86 MET C C 83 177.200 177.200 178.114 -0.914 18318
7558 1 18 . 1 1 86 86 MET CA C 83 58.900 58.900 56.711 2.189 18318
7559 1 18 . 1 1 86 86 MET CB C 83 31.300 31.300 32.071 -0.771 18318
7560 1 18 . 1 1 86 86 MET H H 83 7.460 7.460 8.295 -0.835 18318
7561 1 18 . 1 1 87 87 ARG N N 84 119.500 119.500 120.660 -1.160 18318
7562 1 18 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.148 -0.238 18318
7563 1 18 . 1 1 87 87 ARG C C 84 178.600 178.600 178.190 0.410 18318
7564 1 18 . 1 1 87 87 ARG CA C 84 59.900 59.900 60.013 -0.113 18318
7565 1 18 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.978 -0.478 18318
7566 1 18 . 1 1 87 87 ARG H H 84 8.220 8.220 8.494 -0.274 18318
7567 1 18 . 1 1 88 88 ARG N N 85 117.900 117.900 117.732 0.168 18318
7568 1 18 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.137 -0.217 18318
7569 1 18 . 1 1 88 88 ARG C C 85 179.700 179.700 178.782 0.918 18318
7570 1 18 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.937 0.563 18318
7571 1 18 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.637 0.363 18318
7572 1 18 . 1 1 88 88 ARG H H 85 8.100 8.100 7.461 0.639 18318
7573 1 18 . 1 1 89 89 PHE N N 86 119.700 119.700 120.007 -0.307 18318
7574 1 18 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.205 0.145 18318
7575 1 18 . 1 1 89 89 PHE C C 86 175.600 175.600 176.721 -1.121 18318
7576 1 18 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.705 0.395 18318
7577 1 18 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.230 -1.430 18318
7578 1 18 . 1 1 89 89 PHE H H 86 7.930 7.930 7.392 0.538 18318
7579 1 18 . 1 1 90 90 LEU N N 87 120.400 120.400 120.030 0.370 18318
7580 1 18 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.929 -0.219 18318
7581 1 18 . 1 1 90 90 LEU C C 87 179.200 179.200 178.599 0.601 18318
7582 1 18 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.063 -0.363 18318
7583 1 18 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.975 -1.675 18318
7584 1 18 . 1 1 90 90 LEU H H 87 8.640 8.640 7.893 0.747 18318
7585 1 18 . 1 1 91 91 GLN N N 88 118.200 118.200 117.913 0.287 18318
7586 1 18 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.008 0.032 18318
7587 1 18 . 1 1 91 91 GLN C C 88 178.000 178.000 178.446 -0.446 18318
7588 1 18 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.024 -0.324 18318
7589 1 18 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.146 -0.146 18318
7590 1 18 . 1 1 91 91 GLN H H 88 8.380 8.380 8.646 -0.266 18318
7591 1 18 . 1 1 92 92 CYS N N 89 119.000 119.000 117.935 1.065 18318
7592 1 18 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.236 -0.186 18318
7593 1 18 . 1 1 92 92 CYS C C 89 176.600 176.600 176.636 -0.036 18318
7594 1 18 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.855 -0.756 18318
7595 1 18 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.689 13.811 18318
7596 1 18 . 1 1 92 92 CYS H H 89 7.390 7.390 7.706 -0.316 18318
7597 1 18 . 1 1 93 93 ALA N N 90 122.900 122.900 123.640 -0.740 18318
7598 1 18 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.966 -0.056 18318
7599 1 18 . 1 1 93 93 ALA C C 90 179.200 179.200 178.824 0.376 18318
7600 1 18 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.484 0.216 18318
7601 1 18 . 1 1 93 93 ALA CB C 90 17.800 17.800 17.938 -0.138 18318
7602 1 18 . 1 1 93 93 ALA H H 90 8.410 8.410 7.504 0.906 18318
7603 1 18 . 1 1 94 94 GLU N N 91 115.800 115.800 117.823 -2.023 18318
7604 1 18 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.085 0.065 18318
7605 1 18 . 1 1 94 94 GLU C C 91 177.400 177.400 178.563 -1.163 18318
7606 1 18 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.074 -0.174 18318
7607 1 18 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.919 -0.519 18318
7608 1 18 . 1 1 94 94 GLU H H 91 7.880 7.880 7.773 0.107 18318
7609 1 18 . 1 1 95 95 GLN N N 92 115.500 115.500 118.400 -2.900 18318
7610 1 18 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.131 0.159 18318
7611 1 18 . 1 1 95 95 GLN C C 92 176.600 176.600 176.532 0.068 18318
7612 1 18 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.492 -1.192 18318
7613 1 18 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.151 -0.251 18318
7614 1 18 . 1 1 95 95 GLN H H 92 7.450 7.450 7.797 -0.347 18318
7615 1 19 . 1 1 15 15 CYS N N 12 117.500 117.500 119.002 -1.502 18318
7616 1 19 . 1 1 15 15 CYS C C 12 175.500 175.500 175.529 -0.029 18318
7617 1 19 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.019 -4.319 18318
7618 1 19 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.948 6.753 18318
7619 1 19 . 1 1 15 15 CYS H H 12 8.280 8.280 9.191 -0.911 18318
7620 1 19 . 1 1 16 16 GLY N N 13 108.700 108.700 108.596 0.104 18318
7621 1 19 . 1 1 16 16 GLY C C 13 176.600 176.600 174.936 1.664 18318
7622 1 19 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.681 3.219 18318
7623 1 19 . 1 1 16 16 GLY H H 13 8.080 8.080 8.853 -0.773 18318
7624 1 19 . 1 1 17 17 ARG N N 14 123.300 123.300 118.984 4.316 18318
7625 1 19 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.227 -0.267 18318
7626 1 19 . 1 1 17 17 ARG C C 14 179.300 179.300 177.443 1.857 18318
7627 1 19 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.882 3.318 18318
7628 1 19 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.828 0.272 18318
7629 1 19 . 1 1 17 17 ARG H H 14 8.630 8.630 8.200 0.430 18318
7630 1 19 . 1 1 18 18 GLU N N 15 121.900 121.900 120.690 1.210 18318
7631 1 19 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.097 0.073 18318
7632 1 19 . 1 1 18 18 GLU C C 15 177.900 177.900 177.382 0.518 18318
7633 1 19 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.729 1.371 18318
7634 1 19 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.314 -1.114 18318
7635 1 19 . 1 1 18 18 GLU H H 15 9.670 9.670 8.186 1.484 18318
7636 1 19 . 1 1 19 19 LEU N N 16 119.400 119.400 119.121 0.279 18318
7637 1 19 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.678 3.222 18318
7638 1 19 . 1 1 19 19 LEU H H 16 8.090 8.090 7.925 0.165 18318
7639 1 19 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.066 -0.386 18318
7640 1 19 . 1 1 20 20 GLU C C 17 177.200 177.200 178.851 -1.651 18318
7641 1 19 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.393 -0.093 18318
7642 1 19 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.718 -0.718 18318
7643 1 19 . 1 1 21 21 GLN N N 18 118.500 118.500 119.256 -0.756 18318
7644 1 19 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.222 -0.182 18318
7645 1 19 . 1 1 21 21 GLN C C 18 177.200 177.200 178.051 -0.851 18318
7646 1 19 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.651 0.349 18318
7647 1 19 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.250 -0.550 18318
7648 1 19 . 1 1 21 21 GLN H H 18 8.560 8.560 7.776 0.784 18318
7649 1 19 . 1 1 22 22 TYR N N 19 120.700 120.700 120.304 0.396 18318
7650 1 19 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.211 0.069 18318
7651 1 19 . 1 1 22 22 TYR C C 19 176.600 176.600 177.805 -1.205 18318
7652 1 19 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.002 2.098 18318
7653 1 19 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.872 1.028 18318
7654 1 19 . 1 1 22 22 TYR H H 19 8.120 8.120 8.144 -0.024 18318
7655 1 19 . 1 1 23 23 GLY N N 20 105.600 105.600 106.777 -1.177 18318
7656 1 19 . 1 1 23 23 GLY C C 20 176.700 176.700 176.271 0.429 18318
7657 1 19 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.156 -0.056 18318
7658 1 19 . 1 1 23 23 GLY H H 20 8.390 8.390 7.957 0.433 18318
7659 1 19 . 1 1 24 24 GLN N N 21 120.300 120.300 121.396 -1.096 18318
7660 1 19 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.146 -0.096 18318
7661 1 19 . 1 1 24 24 GLN C C 21 178.000 178.000 178.458 -0.458 18318
7662 1 19 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.896 -0.296 18318
7663 1 19 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.575 -0.975 18318
7664 1 19 . 1 1 24 24 GLN H H 21 8.130 8.130 7.930 0.200 18318
7665 1 19 . 1 1 25 25 CYS N N 22 121.500 121.500 118.650 2.850 18318
7666 1 19 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.356 -0.076 18318
7667 1 19 . 1 1 25 25 CYS C C 22 175.400 175.400 177.567 -2.167 18318
7668 1 19 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.779 -2.179 18318
7669 1 19 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.587 13.313 18318
7670 1 19 . 1 1 25 25 CYS H H 22 7.610 7.610 7.837 -0.227 18318
7671 1 19 . 1 1 26 26 VAL N N 23 119.900 119.900 121.132 -1.232 18318
7672 1 19 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.799 -0.009 18318
7673 1 19 . 1 1 26 26 VAL C C 23 177.100 177.100 177.767 -0.667 18318
7674 1 19 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.314 0.586 18318
7675 1 19 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.263 -1.963 18318
7676 1 19 . 1 1 26 26 VAL H H 23 8.040 8.040 7.971 0.069 18318
7677 1 19 . 1 1 27 27 ALA N N 24 117.400 117.400 120.196 -2.796 18318
7678 1 19 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.014 0.086 18318
7679 1 19 . 1 1 27 27 ALA C C 24 178.600 178.600 178.161 0.439 18318
7680 1 19 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.498 -0.398 18318
7681 1 19 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.656 -0.756 18318
7682 1 19 . 1 1 27 27 ALA H H 24 7.430 7.430 7.879 -0.449 18318
7683 1 19 . 1 1 28 28 ALA N N 25 116.100 116.100 119.792 -3.692 18318
7684 1 19 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.305 0.025 18318
7685 1 19 . 1 1 28 28 ALA C C 25 178.100 178.100 177.687 0.413 18318
7686 1 19 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.077 -0.477 18318
7687 1 19 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.407 -1.307 18318
7688 1 19 . 1 1 28 28 ALA H H 25 7.120 7.120 7.531 -0.411 18318
7689 1 19 . 1 1 29 29 LYS N N 26 119.200 119.200 115.013 4.187 18318
7690 1 19 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.364 5.336 18318
7691 1 19 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.814 -2.714 18318
7692 1 19 . 1 1 29 29 LYS H H 26 7.560 7.560 7.920 -0.360 18318
7693 1 19 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.264 -0.054 18318
7694 1 19 . 1 1 30 30 PRO C C 27 177.000 177.000 178.074 -1.074 18318
7695 1 19 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.499 0.401 18318
7696 1 19 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.895 -0.295 18318
7697 1 19 . 1 1 31 31 GLU N N 28 114.600 114.600 117.966 -3.366 18318
7698 1 19 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.385 0.065 18318
7699 1 19 . 1 1 31 31 GLU C C 28 176.100 176.100 178.321 -2.221 18318
7700 1 19 . 1 1 31 31 GLU CA C 28 57.200 57.200 57.346 -0.146 18318
7701 1 19 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.350 1.250 18318
7702 1 19 . 1 1 31 31 GLU H H 28 8.770 8.770 8.900 -0.130 18318
7703 1 19 . 1 1 32 32 SER N N 29 111.000 111.000 116.249 -5.249 18318
7704 1 19 . 1 1 32 32 SER HA H 29 4.510 4.510 4.297 0.213 18318
7705 1 19 . 1 1 32 32 SER C C 29 176.600 176.600 175.874 0.726 18318
7706 1 19 . 1 1 32 32 SER CA C 29 58.500 58.500 60.751 -2.251 18318
7707 1 19 . 1 1 32 32 SER CB C 29 63.800 63.800 62.682 1.118 18318
7708 1 19 . 1 1 32 32 SER H H 29 7.750 7.750 8.377 -0.627 18318
7709 1 19 . 1 1 33 33 TRP N N 30 125.000 125.000 123.073 1.927 18318
7710 1 19 . 1 1 33 33 TRP C C 30 177.200 177.200 177.147 0.053 18318
7711 1 19 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.494 -0.494 18318
7712 1 19 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.997 0.503 18318
7713 1 19 . 1 1 33 33 TRP H H 30 7.820 7.820 7.643 0.177 18318
7714 1 19 . 1 1 34 34 GLN N N 31 123.600 123.600 116.225 7.375 18318
7715 1 19 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.958 0.492 18318
7716 1 19 . 1 1 34 34 GLN C C 31 176.800 176.800 178.220 -1.420 18318
7717 1 19 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.630 2.270 18318
7718 1 19 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.245 -2.745 18318
7719 1 19 . 1 1 34 34 GLN H H 31 8.240 8.240 7.543 0.697 18318
7720 1 19 . 1 1 35 35 ARG N N 32 115.900 115.900 119.068 -3.168 18318
7721 1 19 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.122 0.158 18318
7722 1 19 . 1 1 35 35 ARG C C 32 178.900 178.900 178.959 -0.059 18318
7723 1 19 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.675 -2.275 18318
7724 1 19 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.123 1.177 18318
7725 1 19 . 1 1 35 35 ARG H H 32 7.450 7.450 7.815 -0.365 18318
7726 1 19 . 1 1 36 36 ASP N N 33 117.700 117.700 119.972 -2.272 18318
7727 1 19 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.595 -0.455 18318
7728 1 19 . 1 1 36 36 ASP C C 33 177.600 177.600 177.331 0.269 18318
7729 1 19 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.858 0.342 18318
7730 1 19 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.705 -0.805 18318
7731 1 19 . 1 1 36 36 ASP H H 33 8.760 8.760 8.051 0.709 18318
7732 1 19 . 1 1 37 37 CYS N N 34 113.300 113.300 118.761 -5.461 18318
7733 1 19 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.727 0.673 18318
7734 1 19 . 1 1 37 37 CYS C C 34 175.800 175.800 175.470 0.330 18318
7735 1 19 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.573 -5.473 18318
7736 1 19 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.183 14.317 18318
7737 1 19 . 1 1 37 37 CYS H H 34 8.260 8.260 8.067 0.193 18318
7738 1 19 . 1 1 38 38 HIS N N 35 124.200 124.200 125.432 -1.232 18318
7739 1 19 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.566 -0.216 18318
7740 1 19 . 1 1 38 38 HIS C C 35 177.400 177.400 176.427 0.973 18318
7741 1 19 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.606 1.394 18318
7742 1 19 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.036 -0.436 18318
7743 1 19 . 1 1 38 38 HIS H H 35 7.520 7.520 8.051 -0.531 18318
7744 1 19 . 1 1 39 39 TYR N N 36 117.100 117.100 118.747 -1.647 18318
7745 1 19 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.416 -0.116 18318
7746 1 19 . 1 1 39 39 TYR C C 36 177.700 177.700 176.796 0.904 18318
7747 1 19 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.215 0.385 18318
7748 1 19 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.333 -2.133 18318
7749 1 19 . 1 1 39 39 TYR H H 36 8.930 8.930 8.700 0.230 18318
7750 1 19 . 1 1 40 40 LEU N N 37 122.000 122.000 117.924 4.076 18318
7751 1 19 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.132 0.038 18318
7752 1 19 . 1 1 40 40 LEU C C 37 179.400 179.400 178.493 0.907 18318
7753 1 19 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.192 -0.692 18318
7754 1 19 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.562 0.838 18318
7755 1 19 . 1 1 40 40 LEU H H 37 6.940 6.940 8.169 -1.229 18318
7756 1 19 . 1 1 41 41 LYS N N 38 125.300 125.300 118.625 6.675 18318
7757 1 19 . 1 1 41 41 LYS C C 38 179.600 179.600 178.557 1.043 18318
7758 1 19 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.895 0.705 18318
7759 1 19 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.221 -0.221 18318
7760 1 19 . 1 1 41 41 LYS H H 38 7.880 7.880 7.444 0.436 18318
7761 1 19 . 1 1 42 42 MET N N 39 117.600 117.600 117.553 0.047 18318
7762 1 19 . 1 1 42 42 MET HA H 39 4.120 4.120 4.209 -0.089 18318
7763 1 19 . 1 1 42 42 MET C C 39 178.900 178.900 177.358 1.542 18318
7764 1 19 . 1 1 42 42 MET CA C 39 57.200 57.200 57.819 -0.619 18318
7765 1 19 . 1 1 42 42 MET CB C 39 30.000 30.000 32.572 -2.572 18318
7766 1 19 . 1 1 42 42 MET H H 39 8.090 8.090 7.541 0.549 18318
7767 1 19 . 1 1 43 43 SER N N 40 115.900 115.900 115.177 0.723 18318
7768 1 19 . 1 1 43 43 SER HA H 40 4.290 4.290 4.229 0.061 18318
7769 1 19 . 1 1 43 43 SER C C 40 177.400 177.400 176.537 0.863 18318
7770 1 19 . 1 1 43 43 SER CA C 40 61.700 61.700 60.465 1.235 18318
7771 1 19 . 1 1 43 43 SER CB C 40 62.500 62.500 63.305 -0.805 18318
7772 1 19 . 1 1 43 43 SER H H 40 7.600 7.600 7.793 -0.193 18318
7773 1 19 . 1 1 44 44 ILE N N 41 121.900 121.900 123.941 -2.041 18318
7774 1 19 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.788 -0.248 18318
7775 1 19 . 1 1 44 44 ILE C C 41 177.500 177.500 177.651 -0.151 18318
7776 1 19 . 1 1 44 44 ILE CA C 41 66.100 66.100 62.178 3.921 18318
7777 1 19 . 1 1 44 44 ILE CB C 41 37.900 37.900 36.289 1.611 18318
7778 1 19 . 1 1 44 44 ILE H H 41 7.540 7.540 7.380 0.160 18318
7779 1 19 . 1 1 45 45 ALA N N 42 122.600 122.600 120.122 2.478 18318
7780 1 19 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.941 0.239 18318
7781 1 19 . 1 1 45 45 ALA C C 42 180.200 180.200 180.083 0.117 18318
7782 1 19 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.903 -0.103 18318
7783 1 19 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.159 -0.859 18318
7784 1 19 . 1 1 45 45 ALA H H 42 7.420 7.420 7.661 -0.241 18318
7785 1 19 . 1 1 46 46 GLN N N 43 118.400 118.400 115.974 2.426 18318
7786 1 19 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.126 -0.156 18318
7787 1 19 . 1 1 46 46 GLN C C 43 178.500 178.500 176.758 1.742 18318
7788 1 19 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.463 1.237 18318
7789 1 19 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.013 -1.213 18318
7790 1 19 . 1 1 46 46 GLN H H 43 8.290 8.290 7.906 0.384 18318
7791 1 19 . 1 1 47 47 CYS N N 44 119.500 119.500 118.496 1.004 18318
7792 1 19 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.155 -0.065 18318
7793 1 19 . 1 1 47 47 CYS C C 44 176.500 176.500 176.952 -0.452 18318
7794 1 19 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.985 -1.685 18318
7795 1 19 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.098 12.803 18318
7796 1 19 . 1 1 47 47 CYS H H 44 7.590 7.590 7.795 -0.205 18318
7797 1 19 . 1 1 48 48 THR N N 45 113.000 113.000 113.796 -0.796 18318
7798 1 19 . 1 1 48 48 THR C C 45 175.900 175.900 175.775 0.125 18318
7799 1 19 . 1 1 48 48 THR CA C 45 65.400 65.400 66.061 -0.661 18318
7800 1 19 . 1 1 48 48 THR CB C 45 68.800 68.800 68.747 0.053 18318
7801 1 19 . 1 1 48 48 THR H H 45 8.810 8.810 7.750 1.060 18318
7802 1 19 . 1 1 49 49 SER N N 46 113.200 113.200 115.292 -2.092 18318
7803 1 19 . 1 1 49 49 SER HA H 46 4.380 4.380 4.319 0.061 18318
7804 1 19 . 1 1 49 49 SER C C 46 175.600 175.600 174.785 0.815 18318
7805 1 19 . 1 1 49 49 SER CA C 46 60.000 60.000 56.687 3.313 18318
7806 1 19 . 1 1 49 49 SER CB C 46 63.900 63.900 62.418 1.482 18318
7807 1 19 . 1 1 49 49 SER H H 46 7.890 7.890 7.343 0.547 18318
7808 1 19 . 1 1 50 50 SER N N 47 114.100 114.100 116.127 -2.027 18318
7809 1 19 . 1 1 50 50 SER HA H 47 4.390 4.390 4.224 0.166 18318
7810 1 19 . 1 1 50 50 SER CA C 47 59.100 59.100 59.927 -0.827 18318
7811 1 19 . 1 1 50 50 SER CB C 47 64.800 64.800 63.307 1.492 18318
7812 1 19 . 1 1 50 50 SER H H 47 7.770 7.770 7.345 0.425 18318
7813 1 19 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.202 0.388 18318
7814 1 19 . 1 1 55 55 ARG C C 52 178.500 178.500 177.864 0.636 18318
7815 1 19 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.139 1.861 18318
7816 1 19 . 1 1 56 56 GLN N N 53 117.700 117.700 119.406 -1.706 18318
7817 1 19 . 1 1 56 56 GLN C C 53 175.000 175.000 177.986 -2.986 18318
7818 1 19 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.081 1.119 18318
7819 1 19 . 1 1 56 56 GLN H H 53 8.110 8.110 8.448 -0.338 18318
7820 1 19 . 1 1 57 57 ILE N N 54 121.200 121.200 113.140 8.060 18318
7821 1 19 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.849 -0.529 18318
7822 1 19 . 1 1 57 57 ILE C C 54 178.700 178.700 176.760 1.940 18318
7823 1 19 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.420 2.580 18318
7824 1 19 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.431 0.269 18318
7825 1 19 . 1 1 57 57 ILE H H 54 7.820 7.820 7.724 0.096 18318
7826 1 19 . 1 1 58 58 ARG N N 55 118.900 118.900 119.114 -0.214 18318
7827 1 19 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.181 0.129 18318
7828 1 19 . 1 1 58 58 ARG C C 55 178.600 178.600 178.924 -0.324 18318
7829 1 19 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.242 1.658 18318
7830 1 19 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.725 0.775 18318
7831 1 19 . 1 1 58 58 ARG H H 55 8.250 8.250 7.709 0.541 18318
7832 1 19 . 1 1 59 59 GLN N N 56 115.800 115.800 117.891 -2.091 18318
7833 1 19 . 1 1 59 59 GLN C C 56 178.100 178.100 176.853 1.247 18318
7834 1 19 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.178 -0.178 18318
7835 1 19 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.866 -0.066 18318
7836 1 19 . 1 1 59 59 GLN H H 56 7.920 7.920 7.826 0.094 18318
7837 1 19 . 1 1 60 60 ALA N N 57 121.600 121.600 118.462 3.138 18318
7838 1 19 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.343 -0.163 18318
7839 1 19 . 1 1 60 60 ALA C C 57 179.600 179.600 176.612 2.988 18318
7840 1 19 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.581 2.919 18318
7841 1 19 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.213 -0.313 18318
7842 1 19 . 1 1 60 60 ALA H H 57 8.490 8.490 7.644 0.846 18318
7843 1 19 . 1 1 61 61 CYS N N 58 114.000 114.000 117.222 -3.222 18318
7844 1 19 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.150 0.980 18318
7845 1 19 . 1 1 61 61 CYS C C 58 175.000 175.000 174.360 0.640 18318
7846 1 19 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.316 -6.616 18318
7847 1 19 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.187 15.613 18318
7848 1 19 . 1 1 61 61 CYS H H 58 8.370 8.370 7.662 0.708 18318
7849 1 19 . 1 1 62 62 ALA N N 59 124.900 124.900 126.957 -2.057 18318
7850 1 19 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.401 -0.131 18318
7851 1 19 . 1 1 62 62 ALA C C 59 179.200 179.200 178.582 0.618 18318
7852 1 19 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.196 3.304 18318
7853 1 19 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.012 -1.212 18318
7854 1 19 . 1 1 62 62 ALA H H 59 7.200 7.200 8.495 -1.295 18318
7855 1 19 . 1 1 63 63 GLN N N 60 115.800 115.800 119.011 -3.211 18318
7856 1 19 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.277 0.203 18318
7857 1 19 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.685 0.515 18318
7858 1 19 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.418 -1.718 18318
7859 1 19 . 1 1 63 63 GLN H H 60 9.040 9.040 8.838 0.202 18318
7860 1 19 . 1 1 64 64 PRO C C 61 179.700 179.700 178.414 1.286 18318
7861 1 19 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.688 -0.088 18318
7862 1 19 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.381 -0.581 18318
7863 1 19 . 1 1 65 65 PHE N N 62 120.500 120.500 117.825 2.675 18318
7864 1 19 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.337 -0.057 18318
7865 1 19 . 1 1 65 65 PHE C C 62 176.400 176.400 177.420 -1.020 18318
7866 1 19 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.927 1.473 18318
7867 1 19 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.944 -0.344 18318
7868 1 19 . 1 1 65 65 PHE H H 62 8.500 8.500 8.273 0.227 18318
7869 1 19 . 1 1 66 66 GLU N N 63 120.200 120.200 119.395 0.805 18318
7870 1 19 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.873 0.157 18318
7871 1 19 . 1 1 66 66 GLU C C 63 179.300 179.300 178.560 0.740 18318
7872 1 19 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.816 -0.617 18318
7873 1 19 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.528 -1.028 18318
7874 1 19 . 1 1 66 66 GLU H H 63 8.900 8.900 8.479 0.421 18318
7875 1 19 . 1 1 67 67 ALA N N 64 120.600 120.600 122.354 -1.754 18318
7876 1 19 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.045 -0.175 18318
7877 1 19 . 1 1 67 67 ALA C C 64 180.500 180.500 179.658 0.842 18318
7878 1 19 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.234 -0.534 18318
7879 1 19 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.146 -0.046 18318
7880 1 19 . 1 1 67 67 ALA H H 64 8.150 8.150 7.531 0.619 18318
7881 1 19 . 1 1 68 68 PHE N N 65 120.000 120.000 119.736 0.264 18318
7882 1 19 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.096 0.224 18318
7883 1 19 . 1 1 68 68 PHE C C 65 175.400 175.400 177.203 -1.803 18318
7884 1 19 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.729 0.071 18318
7885 1 19 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.561 -0.561 18318
7886 1 19 . 1 1 68 68 PHE H H 65 7.810 7.810 7.545 0.265 18318
7887 1 19 . 1 1 69 69 GLU N N 66 119.400 119.400 118.642 0.758 18318
7888 1 19 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.218 0.952 18318
7889 1 19 . 1 1 69 69 GLU C C 66 178.800 178.800 178.757 0.043 18318
7890 1 19 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.075 1.125 18318
7891 1 19 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.150 -0.050 18318
7892 1 19 . 1 1 69 69 GLU H H 66 8.330 8.330 7.868 0.462 18318
7893 1 19 . 1 1 70 70 GLU N N 67 118.600 118.600 118.801 -0.201 18318
7894 1 19 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.090 -0.120 18318
7895 1 19 . 1 1 70 70 GLU C C 67 177.700 177.700 178.320 -0.620 18318
7896 1 19 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.111 -0.311 18318
7897 1 19 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.585 -0.885 18318
7898 1 19 . 1 1 70 70 GLU H H 67 8.240 8.240 7.973 0.267 18318
7899 1 19 . 1 1 71 71 CYS N N 68 119.100 119.100 118.848 0.252 18318
7900 1 19 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.153 -0.073 18318
7901 1 19 . 1 1 71 71 CYS C C 68 177.900 177.900 177.410 0.490 18318
7902 1 19 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.288 -2.688 18318
7903 1 19 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.460 12.540 18318
7904 1 19 . 1 1 71 71 CYS H H 68 7.580 7.580 7.702 -0.122 18318
7905 1 19 . 1 1 72 72 LEU N N 69 122.000 122.000 118.250 3.750 18318
7906 1 19 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.203 -0.503 18318
7907 1 19 . 1 1 72 72 LEU C C 69 179.300 179.300 178.825 0.475 18318
7908 1 19 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.169 0.431 18318
7909 1 19 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.217 -0.217 18318
7910 1 19 . 1 1 72 72 LEU H H 69 8.090 8.090 7.553 0.537 18318
7911 1 19 . 1 1 73 73 ARG N N 70 117.400 117.400 118.940 -1.540 18318
7912 1 19 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.891 0.119 18318
7913 1 19 . 1 1 73 73 ARG C C 70 178.500 178.500 178.244 0.256 18318
7914 1 19 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.605 0.095 18318
7915 1 19 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.794 0.305 18318
7916 1 19 . 1 1 73 73 ARG H H 70 7.600 7.600 7.370 0.230 18318
7917 1 19 . 1 1 74 74 GLN N N 71 115.800 115.800 115.296 0.504 18318
7918 1 19 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.397 -0.107 18318
7919 1 19 . 1 1 74 74 GLN C C 71 176.200 176.200 175.423 0.777 18318
7920 1 19 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.330 0.070 18318
7921 1 19 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.623 -1.423 18318
7922 1 19 . 1 1 74 74 GLN H H 71 7.580 7.580 7.579 0.001 18318
7923 1 19 . 1 1 75 75 ASN N N 72 118.600 118.600 117.864 0.736 18318
7924 1 19 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.908 0.082 18318
7925 1 19 . 1 1 75 75 ASN C C 72 174.800 174.800 175.188 -0.388 18318
7926 1 19 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.116 -0.116 18318
7927 1 19 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.927 0.873 18318
7928 1 19 . 1 1 75 75 ASN H H 72 7.750 7.750 7.648 0.102 18318
7929 1 19 . 1 1 76 76 GLU N N 73 120.200 120.200 121.440 -1.240 18318
7930 1 19 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.982 -0.022 18318
7931 1 19 . 1 1 76 76 GLU C C 73 176.800 176.800 176.833 -0.033 18318
7932 1 19 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.130 0.070 18318
7933 1 19 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.334 -0.234 18318
7934 1 19 . 1 1 76 76 GLU H H 73 7.950 7.950 8.176 -0.226 18318
7935 1 19 . 1 1 77 77 ALA N N 74 119.200 119.200 121.111 -1.911 18318
7936 1 19 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.507 -0.147 18318
7937 1 19 . 1 1 77 77 ALA C C 74 175.400 175.400 177.423 -2.023 18318
7938 1 19 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.567 -0.467 18318
7939 1 19 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.493 -0.293 18318
7940 1 19 . 1 1 77 77 ALA H H 74 8.320 8.320 8.184 0.136 18318
7941 1 19 . 1 1 78 78 ALA N N 75 124.400 124.400 120.734 3.666 18318
7942 1 19 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.571 -0.191 18318
7943 1 19 . 1 1 78 78 ALA C C 75 177.200 177.200 178.464 -1.264 18318
7944 1 19 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.729 -0.329 18318
7945 1 19 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.019 -0.019 18318
7946 1 19 . 1 1 78 78 ALA H H 75 7.900 7.900 7.909 -0.009 18318
7947 1 19 . 1 1 79 79 VAL N N 76 118.400 118.400 118.077 0.323 18318
7948 1 19 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.949 -0.159 18318
7949 1 19 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.185 0.915 18318
7950 1 19 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.447 0.853 18318
7951 1 19 . 1 1 79 79 VAL H H 76 8.100 8.100 7.912 0.188 18318
7952 1 19 . 1 1 80 80 GLY C C 77 175.900 175.900 175.411 0.489 18318
7953 1 19 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.702 -0.302 18318
7954 1 19 . 1 1 81 81 ASN N N 78 119.300 119.300 117.746 1.554 18318
7955 1 19 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.887 -0.287 18318
7956 1 19 . 1 1 81 81 ASN C C 78 176.700 176.700 175.341 1.359 18318
7957 1 19 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.269 1.231 18318
7958 1 19 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.151 -2.851 18318
7959 1 19 . 1 1 81 81 ASN H H 78 8.200 8.200 7.742 0.458 18318
7960 1 19 . 1 1 82 82 CYS N N 79 117.200 117.200 120.301 -3.101 18318
7961 1 19 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.454 0.946 18318
7962 1 19 . 1 1 82 82 CYS C C 79 175.800 175.800 173.238 2.562 18318
7963 1 19 . 1 1 82 82 CYS CA C 79 53.500 53.500 59.423 -5.923 18318
7964 1 19 . 1 1 82 82 CYS CB C 79 39.300 39.300 27.577 11.723 18318
7965 1 19 . 1 1 82 82 CYS H H 79 8.330 8.330 7.990 0.340 18318
7966 1 19 . 1 1 83 83 ALA N N 80 125.000 125.000 129.450 -4.450 18318
7967 1 19 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.435 -0.285 18318
7968 1 19 . 1 1 83 83 ALA C C 80 179.900 179.900 176.932 2.968 18318
7969 1 19 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.224 3.976 18318
7970 1 19 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.584 -1.384 18318
7971 1 19 . 1 1 83 83 ALA H H 80 7.700 7.700 8.342 -0.642 18318
7972 1 19 . 1 1 84 84 GLU N N 81 118.900 118.900 121.143 -2.243 18318
7973 1 19 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.096 -0.146 18318
7974 1 19 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.237 0.763 18318
7975 1 19 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.813 -0.913 18318
7976 1 19 . 1 1 84 84 GLU H H 81 8.920 8.920 8.714 0.206 18318
7977 1 19 . 1 1 85 85 HIS C C 82 178.500 178.500 177.191 1.309 18318
7978 1 19 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.350 -2.250 18318
7979 1 19 . 1 1 86 86 MET N N 83 118.800 118.800 116.166 2.634 18318
7980 1 19 . 1 1 86 86 MET C C 83 177.200 177.200 178.690 -1.490 18318
7981 1 19 . 1 1 86 86 MET CA C 83 58.900 58.900 59.373 -0.473 18318
7982 1 19 . 1 1 86 86 MET CB C 83 31.300 31.300 32.166 -0.867 18318
7983 1 19 . 1 1 86 86 MET H H 83 7.460 7.460 8.206 -0.746 18318
7984 1 19 . 1 1 87 87 ARG N N 84 119.500 119.500 117.239 2.261 18318
7985 1 19 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.157 -0.247 18318
7986 1 19 . 1 1 87 87 ARG C C 84 178.600 178.600 178.900 -0.300 18318
7987 1 19 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.443 1.457 18318
7988 1 19 . 1 1 87 87 ARG CB C 84 29.500 29.500 30.098 -0.598 18318
7989 1 19 . 1 1 87 87 ARG H H 84 8.220 8.220 7.685 0.535 18318
7990 1 19 . 1 1 88 88 ARG N N 85 117.900 117.900 120.896 -2.996 18318
7991 1 19 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.185 -0.265 18318
7992 1 19 . 1 1 88 88 ARG C C 85 179.700 179.700 178.177 1.523 18318
7993 1 19 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.141 0.359 18318
7994 1 19 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.750 0.250 18318
7995 1 19 . 1 1 88 88 ARG H H 85 8.100 8.100 8.276 -0.176 18318
7996 1 19 . 1 1 89 89 PHE N N 86 119.700 119.700 121.056 -1.356 18318
7997 1 19 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.246 0.104 18318
7998 1 19 . 1 1 89 89 PHE C C 86 175.600 175.600 177.450 -1.850 18318
7999 1 19 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.553 -0.453 18318
8000 1 19 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.806 -1.006 18318
8001 1 19 . 1 1 89 89 PHE H H 86 7.930 7.930 8.971 -1.041 18318
8002 1 19 . 1 1 90 90 LEU N N 87 120.400 120.400 117.825 2.575 18318
8003 1 19 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.927 -0.217 18318
8004 1 19 . 1 1 90 90 LEU C C 87 179.200 179.200 178.937 0.263 18318
8005 1 19 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.405 0.295 18318
8006 1 19 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.940 -1.640 18318
8007 1 19 . 1 1 90 90 LEU H H 87 8.640 8.640 7.743 0.897 18318
8008 1 19 . 1 1 91 91 GLN N N 88 118.200 118.200 119.787 -1.587 18318
8009 1 19 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.079 -0.039 18318
8010 1 19 . 1 1 91 91 GLN C C 88 178.000 178.000 178.534 -0.534 18318
8011 1 19 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.123 -0.423 18318
8012 1 19 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.474 -0.474 18318
8013 1 19 . 1 1 91 91 GLN H H 88 8.380 8.380 7.643 0.737 18318
8014 1 19 . 1 1 92 92 CYS N N 89 119.000 119.000 117.716 1.284 18318
8015 1 19 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.389 -0.339 18318
8016 1 19 . 1 1 92 92 CYS C C 89 176.600 176.600 177.396 -0.796 18318
8017 1 19 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.858 -1.758 18318
8018 1 19 . 1 1 92 92 CYS CB C 89 39.500 39.500 26.024 13.476 18318
8019 1 19 . 1 1 92 92 CYS H H 89 7.390 7.390 8.676 -1.286 18318
8020 1 19 . 1 1 93 93 ALA N N 90 122.900 122.900 121.681 1.219 18318
8021 1 19 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.097 -0.187 18318
8022 1 19 . 1 1 93 93 ALA C C 90 179.200 179.200 178.360 0.840 18318
8023 1 19 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.352 0.348 18318
8024 1 19 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.375 -0.575 18318
8025 1 19 . 1 1 93 93 ALA H H 90 8.410 8.410 8.107 0.303 18318
8026 1 19 . 1 1 94 94 GLU N N 91 115.800 115.800 119.259 -3.459 18318
8027 1 19 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.087 0.063 18318
8028 1 19 . 1 1 94 94 GLU C C 91 177.400 177.400 178.542 -1.142 18318
8029 1 19 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.737 0.163 18318
8030 1 19 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.873 -0.473 18318
8031 1 19 . 1 1 94 94 GLU H H 91 7.880 7.880 7.787 0.093 18318
8032 1 19 . 1 1 95 95 GLN N N 92 115.500 115.500 118.903 -3.403 18318
8033 1 19 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.140 0.150 18318
8034 1 19 . 1 1 95 95 GLN C C 92 176.600 176.600 176.280 0.320 18318
8035 1 19 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.789 -1.489 18318
8036 1 19 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.413 -0.513 18318
8037 1 19 . 1 1 95 95 GLN H H 92 7.450 7.450 7.909 -0.459 18318
8038 1 20 . 1 1 15 15 CYS N N 12 117.500 117.500 119.791 -2.291 18318
8039 1 20 . 1 1 15 15 CYS C C 12 175.500 175.500 175.694 -0.194 18318
8040 1 20 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.934 -4.234 18318
8041 1 20 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.893 6.807 18318
8042 1 20 . 1 1 15 15 CYS H H 12 8.280 8.280 8.585 -0.305 18318
8043 1 20 . 1 1 16 16 GLY N N 13 108.700 108.700 108.168 0.532 18318
8044 1 20 . 1 1 16 16 GLY C C 13 176.600 176.600 174.745 1.855 18318
8045 1 20 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.110 2.790 18318
8046 1 20 . 1 1 16 16 GLY H H 13 8.080 8.080 8.725 -0.645 18318
8047 1 20 . 1 1 17 17 ARG N N 14 123.300 123.300 118.760 4.540 18318
8048 1 20 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.157 -0.197 18318
8049 1 20 . 1 1 17 17 ARG C C 14 179.300 179.300 177.256 2.044 18318
8050 1 20 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.962 3.238 18318
8051 1 20 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.342 0.758 18318
8052 1 20 . 1 1 17 17 ARG H H 14 8.630 8.630 8.093 0.537 18318
8053 1 20 . 1 1 18 18 GLU N N 15 121.900 121.900 121.043 0.857 18318
8054 1 20 . 1 1 18 18 GLU HA H 15 4.170 4.170 3.956 0.214 18318
8055 1 20 . 1 1 18 18 GLU C C 15 177.900 177.900 177.454 0.446 18318
8056 1 20 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.944 2.156 18318
8057 1 20 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.588 -1.388 18318
8058 1 20 . 1 1 18 18 GLU H H 15 9.670 9.670 7.742 1.928 18318
8059 1 20 . 1 1 19 19 LEU N N 16 119.400 119.400 119.686 -0.286 18318
8060 1 20 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.244 2.656 18318
8061 1 20 . 1 1 19 19 LEU H H 16 8.090 8.090 8.292 -0.202 18318
8062 1 20 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.042 -0.362 18318
8063 1 20 . 1 1 20 20 GLU C C 17 177.200 177.200 178.748 -1.548 18318
8064 1 20 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.093 0.207 18318
8065 1 20 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.625 -0.625 18318
8066 1 20 . 1 1 21 21 GLN N N 18 118.500 118.500 119.665 -1.165 18318
8067 1 20 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.147 -0.107 18318
8068 1 20 . 1 1 21 21 GLN C C 18 177.200 177.200 178.090 -0.890 18318
8069 1 20 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.520 0.480 18318
8070 1 20 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.067 -0.367 18318
8071 1 20 . 1 1 21 21 GLN H H 18 8.560 8.560 7.508 1.052 18318
8072 1 20 . 1 1 22 22 TYR N N 19 120.700 120.700 119.010 1.690 18318
8073 1 20 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.721 -0.441 18318
8074 1 20 . 1 1 22 22 TYR C C 19 176.600 176.600 178.719 -2.119 18318
8075 1 20 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.827 2.273 18318
8076 1 20 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.623 1.277 18318
8077 1 20 . 1 1 22 22 TYR H H 19 8.120 8.120 8.250 -0.130 18318
8078 1 20 . 1 1 23 23 GLY N N 20 105.600 105.600 107.791 -2.191 18318
8079 1 20 . 1 1 23 23 GLY C C 20 176.700 176.700 176.392 0.308 18318
8080 1 20 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.363 -0.263 18318
8081 1 20 . 1 1 23 23 GLY H H 20 8.390 8.390 7.908 0.482 18318
8082 1 20 . 1 1 24 24 GLN N N 21 120.300 120.300 120.971 -0.671 18318
8083 1 20 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.262 -0.212 18318
8084 1 20 . 1 1 24 24 GLN C C 21 178.000 178.000 178.308 -0.308 18318
8085 1 20 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.269 -0.669 18318
8086 1 20 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.503 -0.903 18318
8087 1 20 . 1 1 24 24 GLN H H 21 8.130 8.130 7.868 0.262 18318
8088 1 20 . 1 1 25 25 CYS N N 22 121.500 121.500 118.677 2.823 18318
8089 1 20 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.352 -0.072 18318
8090 1 20 . 1 1 25 25 CYS C C 22 175.400 175.400 178.077 -2.677 18318
8091 1 20 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.947 -2.347 18318
8092 1 20 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.555 13.345 18318
8093 1 20 . 1 1 25 25 CYS H H 22 7.610 7.610 8.055 -0.445 18318
8094 1 20 . 1 1 26 26 VAL N N 23 119.900 119.900 118.708 1.192 18318
8095 1 20 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.268 -0.478 18318
8096 1 20 . 1 1 26 26 VAL C C 23 177.100 177.100 177.046 0.054 18318
8097 1 20 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.477 0.423 18318
8098 1 20 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.605 -2.305 18318
8099 1 20 . 1 1 26 26 VAL H H 23 8.040 8.040 8.240 -0.200 18318
8100 1 20 . 1 1 27 27 ALA N N 24 117.400 117.400 121.757 -4.357 18318
8101 1 20 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.179 -0.079 18318
8102 1 20 . 1 1 27 27 ALA C C 24 178.600 178.600 179.092 -0.492 18318
8103 1 20 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.638 -0.538 18318
8104 1 20 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.718 -0.818 18318
8105 1 20 . 1 1 27 27 ALA H H 24 7.430 7.430 7.709 -0.279 18318
8106 1 20 . 1 1 28 28 ALA N N 25 116.100 116.100 121.043 -4.943 18318
8107 1 20 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.228 0.102 18318
8108 1 20 . 1 1 28 28 ALA C C 25 178.100 178.100 177.962 0.138 18318
8109 1 20 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.863 -1.263 18318
8110 1 20 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.694 -0.594 18318
8111 1 20 . 1 1 28 28 ALA H H 25 7.120 7.120 7.937 -0.817 18318
8112 1 20 . 1 1 29 29 LYS N N 26 119.200 119.200 113.777 5.423 18318
8113 1 20 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.989 4.711 18318
8114 1 20 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.800 -2.700 18318
8115 1 20 . 1 1 29 29 LYS H H 26 7.560 7.560 7.455 0.105 18318
8116 1 20 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.315 -0.105 18318
8117 1 20 . 1 1 30 30 PRO C C 27 177.000 177.000 177.767 -0.767 18318
8118 1 20 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.670 0.230 18318
8119 1 20 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.322 -0.722 18318
8120 1 20 . 1 1 31 31 GLU N N 28 114.600 114.600 117.996 -3.396 18318
8121 1 20 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.533 -0.083 18318
8122 1 20 . 1 1 31 31 GLU C C 28 176.100 176.100 178.849 -2.749 18318
8123 1 20 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.381 -1.181 18318
8124 1 20 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.612 -0.012 18318
8125 1 20 . 1 1 31 31 GLU H H 28 8.770 8.770 8.622 0.148 18318
8126 1 20 . 1 1 32 32 SER N N 29 111.000 111.000 114.880 -3.880 18318
8127 1 20 . 1 1 32 32 SER HA H 29 4.510 4.510 4.327 0.183 18318
8128 1 20 . 1 1 32 32 SER C C 29 176.600 176.600 176.251 0.349 18318
8129 1 20 . 1 1 32 32 SER CA C 29 58.500 58.500 60.565 -2.065 18318
8130 1 20 . 1 1 32 32 SER CB C 29 63.800 63.800 62.650 1.150 18318
8131 1 20 . 1 1 32 32 SER H H 29 7.750 7.750 8.480 -0.730 18318
8132 1 20 . 1 1 33 33 TRP N N 30 125.000 125.000 123.256 1.744 18318
8133 1 20 . 1 1 33 33 TRP C C 30 177.200 177.200 177.480 -0.280 18318
8134 1 20 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.893 0.107 18318
8135 1 20 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.834 0.666 18318
8136 1 20 . 1 1 33 33 TRP H H 30 7.820 7.820 7.770 0.050 18318
8137 1 20 . 1 1 34 34 GLN N N 31 123.600 123.600 119.080 4.520 18318
8138 1 20 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.215 1.235 18318
8139 1 20 . 1 1 34 34 GLN C C 31 176.800 176.800 177.362 -0.562 18318
8140 1 20 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.666 2.234 18318
8141 1 20 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.052 -1.552 18318
8142 1 20 . 1 1 34 34 GLN H H 31 8.240 8.240 7.304 0.936 18318
8143 1 20 . 1 1 35 35 ARG N N 32 115.900 115.900 117.560 -1.660 18318
8144 1 20 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.176 0.104 18318
8145 1 20 . 1 1 35 35 ARG C C 32 178.900 178.900 178.254 0.646 18318
8146 1 20 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.476 -0.076 18318
8147 1 20 . 1 1 35 35 ARG CB C 32 31.300 31.300 29.981 1.319 18318
8148 1 20 . 1 1 35 35 ARG H H 32 7.450 7.450 7.247 0.203 18318
8149 1 20 . 1 1 36 36 ASP N N 33 117.700 117.700 118.680 -0.980 18318
8150 1 20 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.678 -0.538 18318
8151 1 20 . 1 1 36 36 ASP C C 33 177.600 177.600 176.531 1.069 18318
8152 1 20 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.219 0.981 18318
8153 1 20 . 1 1 36 36 ASP CB C 33 40.900 40.900 42.144 -1.244 18318
8154 1 20 . 1 1 36 36 ASP H H 33 8.760 8.760 7.984 0.776 18318
8155 1 20 . 1 1 37 37 CYS N N 34 113.300 113.300 117.967 -4.667 18318
8156 1 20 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.870 0.530 18318
8157 1 20 . 1 1 37 37 CYS C C 34 175.800 175.800 175.068 0.732 18318
8158 1 20 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.202 -3.102 18318
8159 1 20 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.653 12.847 18318
8160 1 20 . 1 1 37 37 CYS H H 34 8.260 8.260 7.466 0.794 18318
8161 1 20 . 1 1 38 38 HIS N N 35 124.200 124.200 122.284 1.916 18318
8162 1 20 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.401 -0.051 18318
8163 1 20 . 1 1 38 38 HIS C C 35 177.400 177.400 176.068 1.332 18318
8164 1 20 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.181 2.819 18318
8165 1 20 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.662 0.938 18318
8166 1 20 . 1 1 38 38 HIS H H 35 7.520 7.520 8.243 -0.723 18318
8167 1 20 . 1 1 39 39 TYR N N 36 117.100 117.100 120.596 -3.496 18318
8168 1 20 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.322 -0.022 18318
8169 1 20 . 1 1 39 39 TYR C C 36 177.700 177.700 177.179 0.521 18318
8170 1 20 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.938 -0.338 18318
8171 1 20 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.167 -1.967 18318
8172 1 20 . 1 1 39 39 TYR H H 36 8.930 8.930 7.484 1.446 18318
8173 1 20 . 1 1 40 40 LEU N N 37 122.000 122.000 119.552 2.448 18318
8174 1 20 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.942 0.228 18318
8175 1 20 . 1 1 40 40 LEU C C 37 179.400 179.400 178.707 0.693 18318
8176 1 20 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.437 -1.937 18318
8177 1 20 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.675 0.725 18318
8178 1 20 . 1 1 40 40 LEU H H 37 6.940 6.940 8.057 -1.117 18318
8179 1 20 . 1 1 41 41 LYS N N 38 125.300 125.300 118.805 6.495 18318
8180 1 20 . 1 1 41 41 LYS C C 38 179.600 179.600 179.005 0.595 18318
8181 1 20 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.436 0.164 18318
8182 1 20 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.297 -1.297 18318
8183 1 20 . 1 1 41 41 LYS H H 38 7.880 7.880 7.441 0.439 18318
8184 1 20 . 1 1 42 42 MET N N 39 117.600 117.600 117.193 0.407 18318
8185 1 20 . 1 1 42 42 MET HA H 39 4.120 4.120 4.065 0.055 18318
8186 1 20 . 1 1 42 42 MET C C 39 178.900 178.900 178.377 0.523 18318
8187 1 20 . 1 1 42 42 MET CA C 39 57.200 57.200 59.053 -1.853 18318
8188 1 20 . 1 1 42 42 MET CB C 39 30.000 30.000 32.241 -2.241 18318
8189 1 20 . 1 1 42 42 MET H H 39 8.090 8.090 7.538 0.552 18318
8190 1 20 . 1 1 43 43 SER N N 40 115.900 115.900 115.279 0.621 18318
8191 1 20 . 1 1 43 43 SER HA H 40 4.290 4.290 4.255 0.035 18318
8192 1 20 . 1 1 43 43 SER C C 40 177.400 177.400 176.167 1.233 18318
8193 1 20 . 1 1 43 43 SER CA C 40 61.700 61.700 61.247 0.453 18318
8194 1 20 . 1 1 43 43 SER CB C 40 62.500 62.500 62.966 -0.466 18318
8195 1 20 . 1 1 43 43 SER H H 40 7.600 7.600 7.583 0.017 18318
8196 1 20 . 1 1 44 44 ILE N N 41 121.900 121.900 122.103 -0.203 18318
8197 1 20 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.617 -0.077 18318
8198 1 20 . 1 1 44 44 ILE C C 41 177.500 177.500 177.286 0.214 18318
8199 1 20 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.984 1.116 18318
8200 1 20 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.731 0.169 18318
8201 1 20 . 1 1 44 44 ILE H H 41 7.540 7.540 7.713 -0.173 18318
8202 1 20 . 1 1 45 45 ALA N N 42 122.600 122.600 119.869 2.731 18318
8203 1 20 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.978 0.202 18318
8204 1 20 . 1 1 45 45 ALA C C 42 180.200 180.200 179.286 0.914 18318
8205 1 20 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.792 0.008 18318
8206 1 20 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.236 -0.937 18318
8207 1 20 . 1 1 45 45 ALA H H 42 7.420 7.420 7.652 -0.232 18318
8208 1 20 . 1 1 46 46 GLN N N 43 118.400 118.400 117.843 0.557 18318
8209 1 20 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.160 -0.190 18318
8210 1 20 . 1 1 46 46 GLN C C 43 178.500 178.500 178.579 -0.079 18318
8211 1 20 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.641 0.059 18318
8212 1 20 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.930 -1.130 18318
8213 1 20 . 1 1 46 46 GLN H H 43 8.290 8.290 7.723 0.567 18318
8214 1 20 . 1 1 47 47 CYS N N 44 119.500 119.500 119.322 0.178 18318
8215 1 20 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.214 -0.124 18318
8216 1 20 . 1 1 47 47 CYS C C 44 176.500 176.500 177.324 -0.824 18318
8217 1 20 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.600 -2.300 18318
8218 1 20 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.693 13.207 18318
8219 1 20 . 1 1 47 47 CYS H H 44 7.590 7.590 8.401 -0.811 18318
8220 1 20 . 1 1 48 48 THR N N 45 113.000 113.000 112.583 0.417 18318
8221 1 20 . 1 1 48 48 THR C C 45 175.900 175.900 174.532 1.368 18318
8222 1 20 . 1 1 48 48 THR CA C 45 65.400 65.400 64.524 0.876 18318
8223 1 20 . 1 1 48 48 THR CB C 45 68.800 68.800 68.602 0.198 18318
8224 1 20 . 1 1 48 48 THR H H 45 8.810 8.810 7.794 1.016 18318
8225 1 20 . 1 1 49 49 SER N N 46 113.200 113.200 115.121 -1.921 18318
8226 1 20 . 1 1 49 49 SER HA H 46 4.380 4.380 4.701 -0.321 18318
8227 1 20 . 1 1 49 49 SER C C 46 175.600 175.600 174.115 1.485 18318
8228 1 20 . 1 1 49 49 SER CA C 46 60.000 60.000 59.248 0.752 18318
8229 1 20 . 1 1 49 49 SER CB C 46 63.900 63.900 63.480 0.420 18318
8230 1 20 . 1 1 49 49 SER H H 46 7.890 7.890 7.435 0.455 18318
8231 1 20 . 1 1 50 50 SER N N 47 114.100 114.100 114.890 -0.790 18318
8232 1 20 . 1 1 50 50 SER HA H 47 4.390 4.390 4.482 -0.092 18318
8233 1 20 . 1 1 50 50 SER CA C 47 59.100 59.100 59.489 -0.389 18318
8234 1 20 . 1 1 50 50 SER CB C 47 64.800 64.800 63.766 1.034 18318
8235 1 20 . 1 1 50 50 SER H H 47 7.770 7.770 7.605 0.165 18318
8236 1 20 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.008 0.582 18318
8237 1 20 . 1 1 55 55 ARG C C 52 178.500 178.500 177.886 0.614 18318
8238 1 20 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.911 1.089 18318
8239 1 20 . 1 1 56 56 GLN N N 53 117.700 117.700 118.604 -0.904 18318
8240 1 20 . 1 1 56 56 GLN C C 53 175.000 175.000 178.043 -3.043 18318
8241 1 20 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.684 1.516 18318
8242 1 20 . 1 1 56 56 GLN H H 53 8.110 8.110 8.483 -0.373 18318
8243 1 20 . 1 1 57 57 ILE N N 54 121.200 121.200 119.094 2.106 18318
8244 1 20 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.736 -0.416 18318
8245 1 20 . 1 1 57 57 ILE C C 54 178.700 178.700 178.559 0.141 18318
8246 1 20 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.398 1.602 18318
8247 1 20 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.674 0.026 18318
8248 1 20 . 1 1 57 57 ILE H H 54 7.820 7.820 7.821 -0.001 18318
8249 1 20 . 1 1 58 58 ARG N N 55 118.900 118.900 119.779 -0.879 18318
8250 1 20 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.999 0.311 18318
8251 1 20 . 1 1 58 58 ARG C C 55 178.600 178.600 178.945 -0.345 18318
8252 1 20 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.472 1.428 18318
8253 1 20 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.296 2.204 18318
8254 1 20 . 1 1 58 58 ARG H H 55 8.250 8.250 7.792 0.458 18318
8255 1 20 . 1 1 59 59 GLN N N 56 115.800 115.800 117.880 -2.080 18318
8256 1 20 . 1 1 59 59 GLN C C 56 178.100 178.100 176.269 1.831 18318
8257 1 20 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.707 0.293 18318
8258 1 20 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.467 0.333 18318
8259 1 20 . 1 1 59 59 GLN H H 56 7.920 7.920 7.494 0.426 18318
8260 1 20 . 1 1 60 60 ALA N N 57 121.600 121.600 119.989 1.611 18318
8261 1 20 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.125 0.055 18318
8262 1 20 . 1 1 60 60 ALA C C 57 179.600 179.600 178.214 1.386 18318
8263 1 20 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.312 1.188 18318
8264 1 20 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.002 -0.102 18318
8265 1 20 . 1 1 60 60 ALA H H 57 8.490 8.490 7.318 1.172 18318
8266 1 20 . 1 1 61 61 CYS N N 58 114.000 114.000 118.185 -4.185 18318
8267 1 20 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.330 0.800 18318
8268 1 20 . 1 1 61 61 CYS C C 58 175.000 175.000 174.385 0.615 18318
8269 1 20 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.362 -7.662 18318
8270 1 20 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.067 14.733 18318
8271 1 20 . 1 1 61 61 CYS H H 58 8.370 8.370 7.459 0.911 18318
8272 1 20 . 1 1 62 62 ALA N N 59 124.900 124.900 127.979 -3.079 18318
8273 1 20 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.335 -0.065 18318
8274 1 20 . 1 1 62 62 ALA C C 59 179.200 179.200 178.713 0.487 18318
8275 1 20 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.202 3.298 18318
8276 1 20 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.890 -1.090 18318
8277 1 20 . 1 1 62 62 ALA H H 59 7.200 7.200 8.110 -0.910 18318
8278 1 20 . 1 1 63 63 GLN N N 60 115.800 115.800 119.590 -3.790 18318
8279 1 20 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.137 0.343 18318
8280 1 20 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.360 0.840 18318
8281 1 20 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.398 -1.698 18318
8282 1 20 . 1 1 63 63 GLN H H 60 9.040 9.040 8.793 0.247 18318
8283 1 20 . 1 1 64 64 PRO C C 61 179.700 179.700 178.169 1.531 18318
8284 1 20 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.132 0.468 18318
8285 1 20 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.224 -0.424 18318
8286 1 20 . 1 1 65 65 PHE N N 62 120.500 120.500 119.119 1.381 18318
8287 1 20 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.315 -0.035 18318
8288 1 20 . 1 1 65 65 PHE C C 62 176.400 176.400 176.741 -0.341 18318
8289 1 20 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.943 1.457 18318
8290 1 20 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.296 -0.696 18318
8291 1 20 . 1 1 65 65 PHE H H 62 8.500 8.500 8.164 0.336 18318
8292 1 20 . 1 1 66 66 GLU N N 63 120.200 120.200 119.840 0.360 18318
8293 1 20 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.828 0.202 18318
8294 1 20 . 1 1 66 66 GLU C C 63 179.300 179.300 178.439 0.861 18318
8295 1 20 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.583 -0.383 18318
8296 1 20 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.574 -1.074 18318
8297 1 20 . 1 1 66 66 GLU H H 63 8.900 8.900 8.171 0.729 18318
8298 1 20 . 1 1 67 67 ALA N N 64 120.600 120.600 122.682 -2.082 18318
8299 1 20 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.844 0.026 18318
8300 1 20 . 1 1 67 67 ALA C C 64 180.500 180.500 179.654 0.846 18318
8301 1 20 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.109 -0.409 18318
8302 1 20 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.081 0.019 18318
8303 1 20 . 1 1 67 67 ALA H H 64 8.150 8.150 7.259 0.891 18318
8304 1 20 . 1 1 68 68 PHE N N 65 120.000 120.000 116.251 3.749 18318
8305 1 20 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.120 0.200 18318
8306 1 20 . 1 1 68 68 PHE C C 65 175.400 175.400 177.574 -2.174 18318
8307 1 20 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.541 0.259 18318
8308 1 20 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.764 0.236 18318
8309 1 20 . 1 1 68 68 PHE H H 65 7.810 7.810 6.929 0.881 18318
8310 1 20 . 1 1 69 69 GLU N N 66 119.400 119.400 120.183 -0.783 18318
8311 1 20 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.745 0.425 18318
8312 1 20 . 1 1 69 69 GLU C C 66 178.800 178.800 178.742 0.058 18318
8313 1 20 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.317 0.883 18318
8314 1 20 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.098 0.002 18318
8315 1 20 . 1 1 69 69 GLU H H 66 8.330 8.330 7.677 0.653 18318
8316 1 20 . 1 1 70 70 GLU N N 67 118.600 118.600 119.004 -0.404 18318
8317 1 20 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.159 -0.189 18318
8318 1 20 . 1 1 70 70 GLU C C 67 177.700 177.700 178.569 -0.869 18318
8319 1 20 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.083 -0.283 18318
8320 1 20 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.398 -0.698 18318
8321 1 20 . 1 1 70 70 GLU H H 67 8.240 8.240 8.011 0.229 18318
8322 1 20 . 1 1 71 71 CYS N N 68 119.100 119.100 119.528 -0.428 18318
8323 1 20 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.211 -0.131 18318
8324 1 20 . 1 1 71 71 CYS C C 68 177.900 177.900 177.115 0.785 18318
8325 1 20 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.438 -2.838 18318
8326 1 20 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.383 12.617 18318
8327 1 20 . 1 1 71 71 CYS H H 68 7.580 7.580 7.547 0.033 18318
8328 1 20 . 1 1 72 72 LEU N N 69 122.000 122.000 117.521 4.479 18318
8329 1 20 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.211 -0.511 18318
8330 1 20 . 1 1 72 72 LEU C C 69 179.300 179.300 179.306 -0.006 18318
8331 1 20 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.127 0.473 18318
8332 1 20 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.696 0.304 18318
8333 1 20 . 1 1 72 72 LEU H H 69 8.090 8.090 7.754 0.336 18318
8334 1 20 . 1 1 73 73 ARG N N 70 117.400 117.400 119.222 -1.822 18318
8335 1 20 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.019 -0.009 18318
8336 1 20 . 1 1 73 73 ARG C C 70 178.500 178.500 178.551 -0.051 18318
8337 1 20 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.526 0.174 18318
8338 1 20 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.970 0.130 18318
8339 1 20 . 1 1 73 73 ARG H H 70 7.600 7.600 7.490 0.110 18318
8340 1 20 . 1 1 74 74 GLN N N 71 115.800 115.800 115.907 -0.107 18318
8341 1 20 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.411 -0.121 18318
8342 1 20 . 1 1 74 74 GLN C C 71 176.200 176.200 176.850 -0.650 18318
8343 1 20 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.345 -0.945 18318
8344 1 20 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.363 -1.163 18318
8345 1 20 . 1 1 74 74 GLN H H 71 7.580 7.580 7.720 -0.140 18318
8346 1 20 . 1 1 75 75 ASN N N 72 118.600 118.600 117.851 0.749 18318
8347 1 20 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.954 0.036 18318
8348 1 20 . 1 1 75 75 ASN C C 72 174.800 174.800 175.624 -0.824 18318
8349 1 20 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.332 0.668 18318
8350 1 20 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.046 1.754 18318
8351 1 20 . 1 1 75 75 ASN H H 72 7.750 7.750 8.319 -0.569 18318
8352 1 20 . 1 1 76 76 GLU N N 73 120.200 120.200 121.902 -1.702 18318
8353 1 20 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.883 0.077 18318
8354 1 20 . 1 1 76 76 GLU C C 73 176.800 176.800 176.881 -0.081 18318
8355 1 20 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.749 -0.549 18318
8356 1 20 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.784 -0.684 18318
8357 1 20 . 1 1 76 76 GLU H H 73 7.950 7.950 8.256 -0.306 18318
8358 1 20 . 1 1 77 77 ALA N N 74 119.200 119.200 118.713 0.487 18318
8359 1 20 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.437 -0.077 18318
8360 1 20 . 1 1 77 77 ALA C C 74 175.400 175.400 176.964 -1.564 18318
8361 1 20 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.748 0.352 18318
8362 1 20 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.099 0.101 18318
8363 1 20 . 1 1 77 77 ALA H H 74 8.320 8.320 8.062 0.258 18318
8364 1 20 . 1 1 78 78 ALA N N 75 124.400 124.400 121.827 2.573 18318
8365 1 20 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.664 -0.284 18318
8366 1 20 . 1 1 78 78 ALA C C 75 177.200 177.200 178.120 -0.920 18318
8367 1 20 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.817 -0.417 18318
8368 1 20 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.636 -1.636 18318
8369 1 20 . 1 1 78 78 ALA H H 75 7.900 7.900 7.798 0.102 18318
8370 1 20 . 1 1 79 79 VAL N N 76 118.400 118.400 118.509 -0.109 18318
8371 1 20 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.177 -0.387 18318
8372 1 20 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.078 1.022 18318
8373 1 20 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.137 0.163 18318
8374 1 20 . 1 1 79 79 VAL H H 76 8.100 8.100 8.368 -0.268 18318
8375 1 20 . 1 1 80 80 GLY C C 77 175.900 175.900 175.384 0.516 18318
8376 1 20 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.327 0.073 18318
8377 1 20 . 1 1 81 81 ASN N N 78 119.300 119.300 118.676 0.624 18318
8378 1 20 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.821 -0.221 18318
8379 1 20 . 1 1 81 81 ASN C C 78 176.700 176.700 175.170 1.530 18318
8380 1 20 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.386 1.114 18318
8381 1 20 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.428 -3.128 18318
8382 1 20 . 1 1 81 81 ASN H H 78 8.200 8.200 7.908 0.292 18318
8383 1 20 . 1 1 82 82 CYS N N 79 117.200 117.200 116.026 1.174 18318
8384 1 20 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.792 0.608 18318
8385 1 20 . 1 1 82 82 CYS C C 79 175.800 175.800 172.730 3.070 18318
8386 1 20 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.904 -2.404 18318
8387 1 20 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.731 8.569 18318
8388 1 20 . 1 1 82 82 CYS H H 79 8.330 8.330 7.478 0.852 18318
8389 1 20 . 1 1 83 83 ALA N N 80 125.000 125.000 124.484 0.516 18318
8390 1 20 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.715 -0.565 18318
8391 1 20 . 1 1 83 83 ALA C C 80 179.900 179.900 177.410 2.490 18318
8392 1 20 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.527 5.673 18318
8393 1 20 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.428 -1.228 18318
8394 1 20 . 1 1 83 83 ALA H H 80 7.700 7.700 8.493 -0.793 18318
8395 1 20 . 1 1 84 84 GLU N N 81 118.900 118.900 126.549 -7.649 18318
8396 1 20 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.725 0.225 18318
8397 1 20 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.464 -0.464 18318
8398 1 20 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.079 -0.179 18318
8399 1 20 . 1 1 84 84 GLU H H 81 8.920 8.920 8.930 -0.010 18318
8400 1 20 . 1 1 85 85 HIS C C 82 178.500 178.500 177.155 1.345 18318
8401 1 20 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.809 -3.709 18318
8402 1 20 . 1 1 86 86 MET N N 83 118.800 118.800 118.033 0.767 18318
8403 1 20 . 1 1 86 86 MET C C 83 177.200 177.200 178.430 -1.230 18318
8404 1 20 . 1 1 86 86 MET CA C 83 58.900 58.900 57.471 1.429 18318
8405 1 20 . 1 1 86 86 MET CB C 83 31.300 31.300 32.424 -1.124 18318
8406 1 20 . 1 1 86 86 MET H H 83 7.460 7.460 7.871 -0.411 18318
8407 1 20 . 1 1 87 87 ARG N N 84 119.500 119.500 119.648 -0.148 18318
8408 1 20 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.811 0.099 18318
8409 1 20 . 1 1 87 87 ARG C C 84 178.600 178.600 177.904 0.696 18318
8410 1 20 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.623 1.277 18318
8411 1 20 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.557 0.943 18318
8412 1 20 . 1 1 87 87 ARG H H 84 8.220 8.220 8.231 -0.011 18318
8413 1 20 . 1 1 88 88 ARG N N 85 117.900 117.900 120.270 -2.370 18318
8414 1 20 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.184 -0.264 18318
8415 1 20 . 1 1 88 88 ARG C C 85 179.700 179.700 178.731 0.969 18318
8416 1 20 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.232 -0.732 18318
8417 1 20 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.115 -0.115 18318
8418 1 20 . 1 1 88 88 ARG H H 85 8.100 8.100 8.120 -0.020 18318
8419 1 20 . 1 1 89 89 PHE N N 86 119.700 119.700 118.231 1.469 18318
8420 1 20 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.315 0.035 18318
8421 1 20 . 1 1 89 89 PHE C C 86 175.600 175.600 177.736 -2.136 18318
8422 1 20 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.206 -0.106 18318
8423 1 20 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.142 -1.342 18318
8424 1 20 . 1 1 89 89 PHE H H 86 7.930 7.930 7.642 0.288 18318
8425 1 20 . 1 1 90 90 LEU N N 87 120.400 120.400 120.327 0.073 18318
8426 1 20 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.927 -0.217 18318
8427 1 20 . 1 1 90 90 LEU C C 87 179.200 179.200 178.784 0.416 18318
8428 1 20 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.206 -0.506 18318
8429 1 20 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.719 -1.419 18318
8430 1 20 . 1 1 90 90 LEU H H 87 8.640 8.640 7.472 1.168 18318
8431 1 20 . 1 1 91 91 GLN N N 88 118.200 118.200 118.439 -0.239 18318
8432 1 20 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.090 -0.050 18318
8433 1 20 . 1 1 91 91 GLN C C 88 178.000 178.000 178.850 -0.850 18318
8434 1 20 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.021 -0.321 18318
8435 1 20 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.455 -0.455 18318
8436 1 20 . 1 1 91 91 GLN H H 88 8.380 8.380 8.777 -0.397 18318
8437 1 20 . 1 1 92 92 CYS N N 89 119.000 119.000 116.982 2.018 18318
8438 1 20 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.270 -0.220 18318
8439 1 20 . 1 1 92 92 CYS C C 89 176.600 176.600 177.320 -0.720 18318
8440 1 20 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.246 -2.146 18318
8441 1 20 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.613 13.886 18318
8442 1 20 . 1 1 92 92 CYS H H 89 7.390 7.390 8.185 -0.795 18318
8443 1 20 . 1 1 93 93 ALA N N 90 122.900 122.900 122.591 0.309 18318
8444 1 20 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.111 -0.201 18318
8445 1 20 . 1 1 93 93 ALA C C 90 179.200 179.200 179.330 -0.130 18318
8446 1 20 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.667 0.033 18318
8447 1 20 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.156 -0.356 18318
8448 1 20 . 1 1 93 93 ALA H H 90 8.410 8.410 7.485 0.925 18318
8449 1 20 . 1 1 94 94 GLU N N 91 115.800 115.800 118.511 -2.711 18318
8450 1 20 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.074 0.076 18318
8451 1 20 . 1 1 94 94 GLU C C 91 177.400 177.400 178.637 -1.237 18318
8452 1 20 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.543 -0.643 18318
8453 1 20 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.672 -0.272 18318
8454 1 20 . 1 1 94 94 GLU H H 91 7.880 7.880 8.020 -0.140 18318
8455 1 20 . 1 1 95 95 GLN N N 92 115.500 115.500 117.723 -2.223 18318
8456 1 20 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.164 0.126 18318
8457 1 20 . 1 1 95 95 GLN C C 92 176.600 176.600 176.285 0.315 18318
8458 1 20 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.639 -1.339 18318
8459 1 20 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.374 -0.474 18318
8460 1 20 . 1 1 95 95 GLN H H 92 7.450 7.450 7.897 -0.447 18318
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 71 2.693 0.244 2.701 18318
2 1 1 "Average Difference" HA 65 0.306 0.015 0.308 18318
3 1 1 "Average Difference" C 71 1.195 -0.016 1.204 18318
4 1 1 "Average Difference" CA 77 1.862 0.006 1.874 18318
5 1 1 "Average Difference" CB 70 4.343 -1.032 4.249 18318
6 1 1 "Average Difference" HN 71 0.615 -0.067 0.616 18318
7 1 2 "Average Difference" N 71 2.694 0.322 2.694 18318
8 1 2 "Average Difference" HA 65 0.278 0.014 0.280 18318
9 1 2 "Average Difference" C 71 1.211 -0.133 1.212 18318
10 1 2 "Average Difference" CA 77 1.879 -0.125 1.888 18318
11 1 2 "Average Difference" CB 70 4.325 -0.981 4.243 18318
12 1 2 "Average Difference" HN 71 0.544 -0.123 0.534 18318
13 1 3 "Average Difference" N 71 2.714 -0.156 2.729 18318
14 1 3 "Average Difference" HA 65 0.327 0.038 0.328 18318
15 1 3 "Average Difference" C 71 1.237 -0.227 1.225 18318
16 1 3 "Average Difference" CA 77 1.922 -0.213 1.923 18318
17 1 3 "Average Difference" CB 70 4.224 -0.931 4.150 18318
18 1 3 "Average Difference" HN 71 0.625 -0.128 0.616 18318
19 1 4 "Average Difference" N 71 2.789 0.425 2.776 18318
20 1 4 "Average Difference" HA 65 0.281 0.003 0.283 18318
21 1 4 "Average Difference" C 71 1.175 -0.173 1.170 18318
22 1 4 "Average Difference" CA 77 1.947 -0.028 1.960 18318
23 1 4 "Average Difference" CB 70 4.373 -0.924 4.306 18318
24 1 4 "Average Difference" HN 71 0.571 -0.122 0.562 18318
25 1 5 "Average Difference" N 71 2.835 0.297 2.839 18318
26 1 5 "Average Difference" HA 65 0.287 0.021 0.288 18318
27 1 5 "Average Difference" C 71 1.147 -0.081 1.152 18318
28 1 5 "Average Difference" CA 77 1.908 0.034 1.921 18318
29 1 5 "Average Difference" CB 70 4.366 -0.983 4.285 18318
30 1 5 "Average Difference" HN 71 0.553 -0.089 0.549 18318
31 1 6 "Average Difference" N 71 2.589 0.342 2.584 18318
32 1 6 "Average Difference" HA 65 0.299 -0.006 0.301 18318
33 1 6 "Average Difference" C 71 1.246 -0.125 1.249 18318
34 1 6 "Average Difference" CA 77 1.868 -0.112 1.877 18318
35 1 6 "Average Difference" CB 70 4.406 -1.055 4.309 18318
36 1 6 "Average Difference" HN 71 0.605 -0.128 0.596 18318
37 1 7 "Average Difference" N 71 2.737 0.017 2.757 18318
38 1 7 "Average Difference" HA 65 0.290 0.008 0.293 18318
39 1 7 "Average Difference" C 71 1.245 -0.168 1.242 18318
40 1 7 "Average Difference" CA 77 1.705 -0.080 1.714 18318
41 1 7 "Average Difference" CB 70 4.268 -0.985 4.183 18318
42 1 7 "Average Difference" HN 71 0.583 -0.116 0.575 18318
43 1 8 "Average Difference" N 71 2.875 0.258 2.884 18318
44 1 8 "Average Difference" HA 65 0.299 0.011 0.301 18318
45 1 8 "Average Difference" C 71 1.202 -0.174 1.197 18318
46 1 8 "Average Difference" CA 77 1.932 -0.043 1.944 18318
47 1 8 "Average Difference" CB 70 4.241 -0.873 4.180 18318
48 1 8 "Average Difference" HN 71 0.632 -0.116 0.626 18318
49 1 9 "Average Difference" N 71 2.657 0.357 2.652 18318
50 1 9 "Average Difference" HA 65 0.303 0.025 0.305 18318
51 1 9 "Average Difference" C 71 1.272 -0.117 1.276 18318
52 1 9 "Average Difference" CA 77 1.985 0.022 1.998 18318
53 1 9 "Average Difference" CB 70 4.417 -0.966 4.341 18318
54 1 9 "Average Difference" HN 71 0.647 -0.078 0.647 18318
55 1 10 "Average Difference" N 71 2.657 0.114 2.673 18318
56 1 10 "Average Difference" HA 65 0.326 0.023 0.328 18318
57 1 10 "Average Difference" C 71 1.156 -0.119 1.158 18318
58 1 10 "Average Difference" CA 77 1.965 -0.120 1.974 18318
59 1 10 "Average Difference" CB 70 4.374 -1.016 4.286 18318
60 1 10 "Average Difference" HN 71 0.580 -0.139 0.567 18318
61 1 11 "Average Difference" N 71 2.758 0.135 2.774 18318
62 1 11 "Average Difference" HA 65 0.282 0.030 0.282 18318
63 1 11 "Average Difference" C 71 1.212 -0.111 1.215 18318
64 1 11 "Average Difference" CA 77 1.751 -0.081 1.761 18318
65 1 11 "Average Difference" CB 70 4.183 -0.982 4.095 18318
66 1 11 "Average Difference" HN 71 0.568 -0.076 0.567 18318
67 1 12 "Average Difference" N 71 2.567 0.221 2.576 18318
68 1 12 "Average Difference" HA 65 0.280 0.073 0.272 18318
69 1 12 "Average Difference" C 71 1.152 0.005 1.160 18318
70 1 12 "Average Difference" CA 77 1.872 -0.136 1.880 18318
71 1 12 "Average Difference" CB 70 4.312 -0.986 4.228 18318
72 1 12 "Average Difference" HN 71 0.572 -0.083 0.570 18318
73 1 13 "Average Difference" N 71 2.650 0.178 2.663 18318
74 1 13 "Average Difference" HA 65 0.261 0.010 0.263 18318
75 1 13 "Average Difference" C 71 1.175 -0.152 1.174 18318
76 1 13 "Average Difference" CA 77 1.828 -0.062 1.839 18318
77 1 13 "Average Difference" CB 70 4.216 -0.922 4.144 18318
78 1 13 "Average Difference" HN 71 0.626 -0.112 0.620 18318
79 1 14 "Average Difference" N 71 2.596 0.214 2.606 18318
80 1 14 "Average Difference" HA 65 0.323 0.021 0.325 18318
81 1 14 "Average Difference" C 71 1.268 -0.187 1.264 18318
82 1 14 "Average Difference" CA 77 1.800 -0.006 1.811 18318
83 1 14 "Average Difference" CB 70 4.226 -0.949 4.148 18318
84 1 14 "Average Difference" HN 71 0.580 -0.112 0.573 18318
85 1 15 "Average Difference" N 71 2.598 0.326 2.595 18318
86 1 15 "Average Difference" HA 65 0.308 0.049 0.306 18318
87 1 15 "Average Difference" C 71 1.222 -0.137 1.223 18318
88 1 15 "Average Difference" CA 77 1.986 -0.081 1.997 18318
89 1 15 "Average Difference" CB 70 4.348 -0.961 4.271 18318
90 1 15 "Average Difference" HN 71 0.597 -0.125 0.588 18318
91 1 16 "Average Difference" N 71 2.555 0.291 2.556 18318
92 1 16 "Average Difference" HA 65 0.317 -0.017 0.319 18318
93 1 16 "Average Difference" C 71 1.157 -0.035 1.164 18318
94 1 16 "Average Difference" CA 77 1.804 -0.041 1.815 18318
95 1 16 "Average Difference" CB 70 4.281 -0.955 4.204 18318
96 1 16 "Average Difference" HN 71 0.595 -0.092 0.592 18318
97 1 17 "Average Difference" N 71 2.469 0.281 2.470 18318
98 1 17 "Average Difference" HA 65 0.328 0.020 0.330 18318
99 1 17 "Average Difference" C 71 1.105 -0.126 1.106 18318
100 1 17 "Average Difference" CA 77 1.892 -0.049 1.904 18318
101 1 17 "Average Difference" CB 70 4.361 -0.994 4.277 18318
102 1 17 "Average Difference" HN 71 0.531 -0.094 0.526 18318
103 1 18 "Average Difference" N 71 2.768 0.284 2.773 18318
104 1 18 "Average Difference" HA 65 0.293 0.012 0.295 18318
105 1 18 "Average Difference" C 71 1.181 -0.147 1.180 18318
106 1 18 "Average Difference" CA 77 1.810 -0.171 1.814 18318
107 1 18 "Average Difference" CB 70 4.383 -0.995 4.299 18318
108 1 18 "Average Difference" HN 71 0.577 -0.132 0.566 18318
109 1 19 "Average Difference" N 71 2.806 0.096 2.824 18318
110 1 19 "Average Difference" HA 65 0.307 0.008 0.309 18318
111 1 19 "Average Difference" C 71 1.223 -0.160 1.221 18318
112 1 19 "Average Difference" CA 77 2.072 -0.175 2.078 18318
113 1 19 "Average Difference" CB 70 4.460 -1.032 4.371 18318
114 1 19 "Average Difference" HN 71 0.556 -0.079 0.554 18318
115 1 20 "Average Difference" N 71 2.562 0.156 2.575 18318
116 1 20 "Average Difference" HA 65 0.315 0.008 0.317 18318
117 1 20 "Average Difference" C 71 1.216 -0.090 1.221 18318
118 1 20 "Average Difference" CA 77 1.933 -0.090 1.944 18318
119 1 20 "Average Difference" CB 70 4.287 -1.004 4.198 18318
120 1 20 "Average Difference" HN 71 0.632 -0.152 0.617 18318
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 18318
_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 15 15 CYS N N 12 117.500 117.500 121.155 -3.655 18318
2 1 . 1 1 15 15 CYS C C 12 175.500 175.500 175.388 0.112 18318
3 1 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.385 -4.685 18318
4 1 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.003 6.697 18318
5 1 . 1 1 15 15 CYS H H 12 8.280 8.280 8.735 -0.455 18318
6 1 . 1 1 16 16 GLY N N 13 108.700 108.700 110.082 -1.382 18318
7 1 . 1 1 16 16 GLY C C 13 176.600 176.600 175.275 1.325 18318
8 1 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.126 1.774 18318
9 1 . 1 1 16 16 GLY H H 13 8.080 8.080 8.871 -0.791 18318
10 1 . 1 1 17 17 ARG N N 14 123.300 123.300 120.479 2.821 18318
11 1 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.162 -0.202 18318
12 1 . 1 1 17 17 ARG C C 14 179.300 179.300 177.506 1.794 18318
13 1 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.892 1.308 18318
14 1 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.010 0.089 18318
15 1 . 1 1 17 17 ARG H H 14 8.630 8.630 8.413 0.217 18318
16 1 . 1 1 18 18 GLU N N 15 121.900 121.900 120.168 1.732 18318
17 1 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.207 -0.037 18318
18 1 . 1 1 18 18 GLU C C 15 177.900 177.900 178.061 -0.161 18318
19 1 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.972 2.128 18318
20 1 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.243 -1.043 18318
21 1 . 1 1 18 18 GLU H H 15 9.670 9.670 8.092 1.578 18318
22 1 . 1 1 19 19 LEU N N 16 119.400 119.400 120.547 -1.147 18318
23 1 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.378 2.522 18318
24 1 . 1 1 19 19 LEU H H 16 8.090 8.090 7.892 0.198 18318
25 1 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.024 -0.344 18318
26 1 . 1 1 20 20 GLU C C 17 177.200 177.200 179.083 -1.883 18318
27 1 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.520 -0.220 18318
28 1 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.621 -0.621 18318
29 1 . 1 1 21 21 GLN N N 18 118.500 118.500 118.959 -0.459 18318
30 1 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.154 -0.114 18318
31 1 . 1 1 21 21 GLN C C 18 177.200 177.200 178.285 -1.085 18318
32 1 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.540 0.460 18318
33 1 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.881 -0.181 18318
34 1 . 1 1 21 21 GLN H H 18 8.560 8.560 7.935 0.625 18318
35 1 . 1 1 22 22 TYR N N 19 120.700 120.700 120.780 -0.080 18318
36 1 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.427 -0.147 18318
37 1 . 1 1 22 22 TYR C C 19 176.600 176.600 177.941 -1.341 18318
38 1 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.367 1.733 18318
39 1 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.123 0.778 18318
40 1 . 1 1 22 22 TYR H H 19 8.120 8.120 8.554 -0.434 18318
41 1 . 1 1 23 23 GLY N N 20 105.600 105.600 106.615 -1.015 18318
42 1 . 1 1 23 23 GLY C C 20 176.700 176.700 176.053 0.647 18318
43 1 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.808 0.291 18318
44 1 . 1 1 23 23 GLY H H 20 8.390 8.390 7.934 0.456 18318
45 1 . 1 1 24 24 GLN N N 21 120.300 120.300 121.077 -0.777 18318
46 1 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.176 -0.126 18318
47 1 . 1 1 24 24 GLN C C 21 178.000 178.000 178.308 -0.308 18318
48 1 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.813 -0.213 18318
49 1 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.754 -1.154 18318
50 1 . 1 1 24 24 GLN H H 21 8.130 8.130 7.711 0.419 18318
51 1 . 1 1 25 25 CYS N N 22 121.500 121.500 118.503 2.997 18318
52 1 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.410 -0.130 18318
53 1 . 1 1 25 25 CYS C C 22 175.400 175.400 177.387 -1.987 18318
54 1 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.767 -2.166 18318
55 1 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.622 13.278 18318
56 1 . 1 1 25 25 CYS H H 22 7.610 7.610 8.056 -0.446 18318
57 1 . 1 1 26 26 VAL N N 23 119.900 119.900 119.623 0.277 18318
58 1 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.079 -0.289 18318
59 1 . 1 1 26 26 VAL C C 23 177.100 177.100 177.242 -0.143 18318
60 1 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.002 0.898 18318
61 1 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.474 -2.174 18318
62 1 . 1 1 26 26 VAL H H 23 8.040 8.040 7.759 0.281 18318
63 1 . 1 1 27 27 ALA N N 24 117.400 117.400 121.468 -4.068 18318
64 1 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.078 0.022 18318
65 1 . 1 1 27 27 ALA C C 24 178.600 178.600 178.769 -0.169 18318
66 1 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.498 -0.398 18318
67 1 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.666 -0.766 18318
68 1 . 1 1 27 27 ALA H H 24 7.430 7.430 7.676 -0.246 18318
69 1 . 1 1 28 28 ALA N N 25 116.100 116.100 120.743 -4.643 18318
70 1 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.166 0.164 18318
71 1 . 1 1 28 28 ALA C C 25 178.100 178.100 177.903 0.197 18318
72 1 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.719 -1.119 18318
73 1 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.644 -0.544 18318
74 1 . 1 1 28 28 ALA H H 25 7.120 7.120 7.737 -0.617 18318
75 1 . 1 1 29 29 LYS N N 26 119.200 119.200 113.991 5.209 18318
76 1 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.522 5.178 18318
77 1 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.473 -2.373 18318
78 1 . 1 1 29 29 LYS H H 26 7.560 7.560 7.511 0.049 18318
79 1 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.315 -0.105 18318
80 1 . 1 1 30 30 PRO C C 27 177.000 177.000 178.205 -1.205 18318
81 1 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.487 0.413 18318
82 1 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318
83 1 . 1 1 31 31 GLU N N 28 114.600 114.600 118.264 -3.664 18318
84 1 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.375 0.075 18318
85 1 . 1 1 31 31 GLU C C 28 176.100 176.100 178.462 -2.362 18318
86 1 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.279 -1.079 18318
87 1 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.782 0.818 18318
88 1 . 1 1 31 31 GLU H H 28 8.770 8.770 8.773 -0.003 18318
89 1 . 1 1 32 32 SER N N 29 111.000 111.000 115.591 -4.591 18318
90 1 . 1 1 32 32 SER HA H 29 4.510 4.510 4.276 0.234 18318
91 1 . 1 1 32 32 SER C C 29 176.600 176.600 176.005 0.595 18318
92 1 . 1 1 32 32 SER CA C 29 58.500 58.500 60.589 -2.089 18318
93 1 . 1 1 32 32 SER CB C 29 63.800 63.800 62.626 1.174 18318
94 1 . 1 1 32 32 SER H H 29 7.750 7.750 8.378 -0.628 18318
95 1 . 1 1 33 33 TRP N N 30 125.000 125.000 123.337 1.663 18318
96 1 . 1 1 33 33 TRP C C 30 177.200 177.200 177.591 -0.391 18318
97 1 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.482 -0.482 18318
98 1 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.694 0.805 18318
99 1 . 1 1 33 33 TRP H H 30 7.820 7.820 7.722 0.098 18318
100 1 . 1 1 34 34 GLN N N 31 123.600 123.600 117.283 6.317 18318
101 1 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.808 0.642 18318
102 1 . 1 1 34 34 GLN C C 31 176.800 176.800 177.742 -0.942 18318
103 1 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.654 2.246 18318
104 1 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.549 -2.049 18318
105 1 . 1 1 34 34 GLN H H 31 8.240 8.240 7.468 0.772 18318
106 1 . 1 1 35 35 ARG N N 32 115.900 115.900 118.687 -2.787 18318
107 1 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.046 0.234 18318
108 1 . 1 1 35 35 ARG C C 32 178.900 178.900 178.219 0.681 18318
109 1 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.808 -1.408 18318
110 1 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.251 1.049 18318
111 1 . 1 1 35 35 ARG H H 32 7.450 7.450 7.464 -0.014 18318
112 1 . 1 1 36 36 ASP N N 33 117.700 117.700 118.895 -1.195 18318
113 1 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.569 -0.429 18318
114 1 . 1 1 36 36 ASP C C 33 177.600 177.600 176.935 0.665 18318
115 1 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.628 0.572 18318
116 1 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.603 -0.703 18318
117 1 . 1 1 36 36 ASP H H 33 8.760 8.760 8.239 0.521 18318
118 1 . 1 1 37 37 CYS N N 34 113.300 113.300 117.358 -4.058 18318
119 1 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.763 0.637 18318
120 1 . 1 1 37 37 CYS C C 34 175.800 175.800 174.719 1.081 18318
121 1 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.165 -4.065 18318
122 1 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.861 13.639 18318
123 1 . 1 1 37 37 CYS H H 34 8.260 8.260 7.695 0.565 18318
124 1 . 1 1 38 38 HIS N N 35 124.200 124.200 124.370 -0.170 18318
125 1 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.375 -0.025 18318
126 1 . 1 1 38 38 HIS C C 35 177.400 177.400 176.149 1.251 18318
127 1 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.017 1.983 18318
128 1 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.635 -0.035 18318
129 1 . 1 1 38 38 HIS H H 35 7.520 7.520 8.237 -0.717 18318
130 1 . 1 1 39 39 TYR N N 36 117.100 117.100 118.689 -1.589 18318
131 1 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.302 -0.002 18318
132 1 . 1 1 39 39 TYR C C 36 177.700 177.700 177.400 0.300 18318
133 1 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.992 -0.392 18318
134 1 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.988 -1.788 18318
135 1 . 1 1 39 39 TYR H H 36 8.930 8.930 8.291 0.639 18318
136 1 . 1 1 40 40 LEU N N 37 122.000 122.000 118.655 3.345 18318
137 1 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.096 0.074 18318
138 1 . 1 1 40 40 LEU C C 37 179.400 179.400 178.815 0.585 18318
139 1 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.619 -1.119 18318
140 1 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.370 1.030 18318
141 1 . 1 1 40 40 LEU H H 37 6.940 6.940 8.152 -1.212 18318
142 1 . 1 1 41 41 LYS N N 38 125.300 125.300 119.212 6.088 18318
143 1 . 1 1 41 41 LYS C C 38 179.600 179.600 178.546 1.054 18318
144 1 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.103 0.497 18318
145 1 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.921 -0.921 18318
146 1 . 1 1 41 41 LYS H H 38 7.880 7.880 7.629 0.251 18318
147 1 . 1 1 42 42 MET N N 39 117.600 117.600 117.985 -0.385 18318
148 1 . 1 1 42 42 MET HA H 39 4.120 4.120 4.271 -0.151 18318
149 1 . 1 1 42 42 MET C C 39 178.900 178.900 178.097 0.803 18318
150 1 . 1 1 42 42 MET CA C 39 57.200 57.200 57.953 -0.753 18318
151 1 . 1 1 42 42 MET CB C 39 30.000 30.000 32.514 -2.514 18318
152 1 . 1 1 42 42 MET H H 39 8.090 8.090 7.591 0.499 18318
153 1 . 1 1 43 43 SER N N 40 115.900 115.900 116.212 -0.312 18318
154 1 . 1 1 43 43 SER HA H 40 4.290 4.290 4.291 -0.001 18318
155 1 . 1 1 43 43 SER C C 40 177.400 177.400 176.543 0.857 18318
156 1 . 1 1 43 43 SER CA C 40 61.700 61.700 61.695 0.005 18318
157 1 . 1 1 43 43 SER CB C 40 62.500 62.500 63.320 -0.820 18318
158 1 . 1 1 43 43 SER H H 40 7.600 7.600 7.877 -0.277 18318
159 1 . 1 1 44 44 ILE N N 41 121.900 121.900 118.907 2.993 18318
160 1 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.905 -0.365 18318
161 1 . 1 1 44 44 ILE C C 41 177.500 177.500 177.268 0.232 18318
162 1 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.958 2.142 18318
163 1 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.332 0.568 18318
164 1 . 1 1 44 44 ILE H H 41 7.540 7.540 7.986 -0.446 18318
165 1 . 1 1 45 45 ALA N N 42 122.600 122.600 122.174 0.426 18318
166 1 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.032 0.148 18318
167 1 . 1 1 45 45 ALA C C 42 180.200 180.200 179.703 0.497 18318
168 1 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.941 -0.141 18318
169 1 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.292 -0.992 18318
170 1 . 1 1 45 45 ALA H H 42 7.420 7.420 7.739 -0.319 18318
171 1 . 1 1 46 46 GLN N N 43 118.400 118.400 117.269 1.131 18318
172 1 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.092 -0.122 18318
173 1 . 1 1 46 46 GLN C C 43 178.500 178.500 177.795 0.705 18318
174 1 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.414 0.286 18318
175 1 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.694 -0.894 18318
176 1 . 1 1 46 46 GLN H H 43 8.290 8.290 7.837 0.453 18318
177 1 . 1 1 47 47 CYS N N 44 119.500 119.500 118.727 0.773 18318
178 1 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.237 -0.147 18318
179 1 . 1 1 47 47 CYS C C 44 176.500 176.500 177.159 -0.659 18318
180 1 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.003 -1.703 18318
181 1 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.567 13.333 18318
182 1 . 1 1 47 47 CYS H H 44 7.590 7.590 7.820 -0.230 18318
183 1 . 1 1 48 48 THR N N 45 113.000 113.000 114.255 -1.255 18318
184 1 . 1 1 48 48 THR C C 45 175.900 175.900 175.979 -0.079 18318
185 1 . 1 1 48 48 THR CA C 45 65.400 65.400 64.974 0.426 18318
186 1 . 1 1 48 48 THR CB C 45 68.800 68.800 68.462 0.338 18318
187 1 . 1 1 48 48 THR H H 45 8.810 8.810 7.838 0.972 18318
188 1 . 1 1 49 49 SER N N 46 113.200 113.200 116.379 -3.179 18318
189 1 . 1 1 49 49 SER HA H 46 4.380 4.380 4.400 -0.020 18318
190 1 . 1 1 49 49 SER C C 46 175.600 175.600 175.293 0.307 18318
191 1 . 1 1 49 49 SER CA C 46 60.000 60.000 59.577 0.423 18318
192 1 . 1 1 49 49 SER CB C 46 63.900 63.900 63.091 0.809 18318
193 1 . 1 1 49 49 SER H H 46 7.890 7.890 7.742 0.148 18318
194 1 . 1 1 50 50 SER N N 47 114.100 114.100 115.582 -1.482 18318
195 1 . 1 1 50 50 SER HA H 47 4.390 4.390 4.392 -0.002 18318
196 1 . 1 1 50 50 SER CA C 47 59.100 59.100 59.852 -0.752 18318
197 1 . 1 1 50 50 SER CB C 47 64.800 64.800 64.053 0.747 18318
198 1 . 1 1 50 50 SER H H 47 7.770 7.770 7.720 0.050 18318
199 1 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.069 0.521 18318
200 1 . 1 1 55 55 ARG C C 52 178.500 178.500 177.942 0.558 18318
201 1 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.766 1.233 18318
202 1 . 1 1 56 56 GLN N N 53 117.700 117.700 118.819 -1.119 18318
203 1 . 1 1 56 56 GLN C C 53 175.000 175.000 178.255 -3.255 18318
204 1 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.032 1.168 18318
205 1 . 1 1 56 56 GLN H H 53 8.110 8.110 8.455 -0.345 18318
206 1 . 1 1 57 57 ILE N N 54 121.200 121.200 116.642 4.558 18318
207 1 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.838 -0.518 18318
208 1 . 1 1 57 57 ILE C C 54 178.700 178.700 177.806 0.894 18318
209 1 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.612 2.388 18318
210 1 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.294 0.406 18318
211 1 . 1 1 57 57 ILE H H 54 7.820 7.820 7.822 -0.002 18318
212 1 . 1 1 58 58 ARG N N 55 118.900 118.900 119.742 -0.842 18318
213 1 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.010 0.300 18318
214 1 . 1 1 58 58 ARG C C 55 178.600 178.600 178.173 0.427 18318
215 1 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.692 1.208 18318
216 1 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.868 1.632 18318
217 1 . 1 1 58 58 ARG H H 55 8.250 8.250 7.650 0.600 18318
218 1 . 1 1 59 59 GLN N N 56 115.800 115.800 117.898 -2.098 18318
219 1 . 1 1 59 59 GLN C C 56 178.100 178.100 176.909 1.191 18318
220 1 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.115 -0.115 18318
221 1 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.734 0.066 18318
222 1 . 1 1 59 59 GLN H H 56 7.920 7.920 7.816 0.104 18318
223 1 . 1 1 60 60 ALA N N 57 121.600 121.600 120.393 1.207 18318
224 1 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.222 -0.042 18318
225 1 . 1 1 60 60 ALA C C 57 179.600 179.600 177.891 1.709 18318
226 1 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.211 1.289 18318
227 1 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.305 -0.405 18318
228 1 . 1 1 60 60 ALA H H 57 8.490 8.490 7.530 0.960 18318
229 1 . 1 1 61 61 CYS N N 58 114.000 114.000 117.120 -3.120 18318
230 1 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.432 0.698 18318
231 1 . 1 1 61 61 CYS C C 58 175.000 175.000 174.640 0.360 18318
232 1 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.450 -6.750 18318
233 1 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.433 14.367 18318
234 1 . 1 1 61 61 CYS H H 58 8.370 8.370 7.752 0.618 18318
235 1 . 1 1 62 62 ALA N N 59 124.900 124.900 127.227 -2.327 18318
236 1 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.399 -0.129 18318
237 1 . 1 1 62 62 ALA C C 59 179.200 179.200 178.622 0.578 18318
238 1 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.397 3.103 18318
239 1 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.752 -0.951 18318
240 1 . 1 1 62 62 ALA H H 59 7.200 7.200 8.256 -1.056 18318
241 1 . 1 1 63 63 GLN N N 60 115.800 115.800 119.722 -3.922 18318
242 1 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.139 0.341 18318
243 1 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.838 0.362 18318
244 1 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.772 -2.072 18318
245 1 . 1 1 63 63 GLN H H 60 9.040 9.040 8.761 0.279 18318
246 1 . 1 1 64 64 PRO C C 61 179.700 179.700 178.020 1.680 18318
247 1 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.295 0.305 18318
248 1 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.178 -0.378 18318
249 1 . 1 1 65 65 PHE N N 62 120.500 120.500 119.151 1.349 18318
250 1 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.382 -0.102 18318
251 1 . 1 1 65 65 PHE C C 62 176.400 176.400 176.977 -0.577 18318
252 1 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.260 2.140 18318
253 1 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.121 -0.521 18318
254 1 . 1 1 65 65 PHE H H 62 8.500 8.500 7.962 0.538 18318
255 1 . 1 1 66 66 GLU N N 63 120.200 120.200 120.236 -0.036 18318
256 1 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.852 0.178 18318
257 1 . 1 1 66 66 GLU C C 63 179.300 179.300 178.407 0.893 18318
258 1 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.303 -0.103 18318
259 1 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.626 -1.126 18318
260 1 . 1 1 66 66 GLU H H 63 8.900 8.900 8.347 0.553 18318
261 1 . 1 1 67 67 ALA N N 64 120.600 120.600 122.212 -1.612 18318
262 1 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.978 -0.108 18318
263 1 . 1 1 67 67 ALA C C 64 180.500 180.500 179.500 1.000 18318
264 1 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.991 -0.291 18318
265 1 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.213 -0.113 18318
266 1 . 1 1 67 67 ALA H H 64 8.150 8.150 7.381 0.769 18318
267 1 . 1 1 68 68 PHE N N 65 120.000 120.000 117.597 2.403 18318
268 1 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.168 0.152 18318
269 1 . 1 1 68 68 PHE C C 65 175.400 175.400 177.417 -2.017 18318
270 1 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.876 -0.076 18318
271 1 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.369 -0.369 18318
272 1 . 1 1 68 68 PHE H H 65 7.810 7.810 7.348 0.462 18318
273 1 . 1 1 69 69 GLU N N 66 119.400 119.400 119.159 0.241 18318
274 1 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.613 0.557 18318
275 1 . 1 1 69 69 GLU C C 66 178.800 178.800 178.755 0.045 18318
276 1 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.976 1.224 18318
277 1 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.010 0.090 18318
278 1 . 1 1 69 69 GLU H H 66 8.330 8.330 7.828 0.502 18318
279 1 . 1 1 70 70 GLU N N 67 118.600 118.600 119.065 -0.465 18318
280 1 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.131 -0.161 18318
281 1 . 1 1 70 70 GLU C C 67 177.700 177.700 178.362 -0.662 18318
282 1 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.811 -0.011 18318
283 1 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.728 -1.028 18318
284 1 . 1 1 70 70 GLU H H 67 8.240 8.240 7.860 0.380 18318
285 1 . 1 1 71 71 CYS N N 68 119.100 119.100 119.015 0.085 18318
286 1 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.194 -0.114 18318
287 1 . 1 1 71 71 CYS C C 68 177.900 177.900 177.276 0.624 18318
288 1 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.254 -2.655 18318
289 1 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.540 12.460 18318
290 1 . 1 1 71 71 CYS H H 68 7.580 7.580 7.767 -0.187 18318
291 1 . 1 1 72 72 LEU N N 69 122.000 122.000 118.353 3.647 18318
292 1 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.210 -0.510 18318
293 1 . 1 1 72 72 LEU C C 69 179.300 179.300 178.919 0.380 18318
294 1 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.054 0.546 18318
295 1 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.282 -0.281 18318
296 1 . 1 1 72 72 LEU H H 69 8.090 8.090 7.646 0.444 18318
297 1 . 1 1 73 73 ARG N N 70 117.400 117.400 118.726 -1.326 18318
298 1 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.958 0.052 18318
299 1 . 1 1 73 73 ARG C C 70 178.500 178.500 178.041 0.459 18318
300 1 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.782 -0.082 18318
301 1 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.912 0.188 18318
302 1 . 1 1 73 73 ARG H H 70 7.600 7.600 7.525 0.075 18318
303 1 . 1 1 74 74 GLN N N 71 115.800 115.800 115.224 0.576 18318
304 1 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.423 -0.133 18318
305 1 . 1 1 74 74 GLN C C 71 176.200 176.200 176.050 0.150 18318
306 1 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.569 -0.169 18318
307 1 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.570 -1.370 18318
308 1 . 1 1 74 74 GLN H H 71 7.580 7.580 7.681 -0.101 18318
309 1 . 1 1 75 75 ASN N N 72 118.600 118.600 118.352 0.248 18318
310 1 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.961 0.029 18318
311 1 . 1 1 75 75 ASN C C 72 174.800 174.800 175.045 -0.245 18318
312 1 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.745 0.255 18318
313 1 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.675 1.126 18318
314 1 . 1 1 75 75 ASN H H 72 7.750 7.750 8.030 -0.280 18318
315 1 . 1 1 76 76 GLU N N 73 120.200 120.200 121.799 -1.599 18318
316 1 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.947 0.013 18318
317 1 . 1 1 76 76 GLU C C 73 176.800 176.800 176.972 -0.172 18318
318 1 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.268 -0.068 18318
319 1 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.468 -0.368 18318
320 1 . 1 1 76 76 GLU H H 73 7.950 7.950 8.077 -0.127 18318
321 1 . 1 1 77 77 ALA N N 74 119.200 119.200 120.207 -1.007 18318
322 1 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.447 -0.087 18318
323 1 . 1 1 77 77 ALA C C 74 175.400 175.400 177.235 -1.835 18318
324 1 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.177 -0.077 18318
325 1 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.289 -0.089 18318
326 1 . 1 1 77 77 ALA H H 74 8.320 8.320 8.107 0.213 18318
327 1 . 1 1 78 78 ALA N N 75 124.400 124.400 121.759 2.641 18318
328 1 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.612 -0.232 18318
329 1 . 1 1 78 78 ALA C C 75 177.200 177.200 178.125 -0.925 18318
330 1 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.703 -0.303 18318
331 1 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.977 -0.977 18318
332 1 . 1 1 78 78 ALA H H 75 7.900 7.900 7.619 0.281 18318
333 1 . 1 1 79 79 VAL N N 76 118.400 118.400 118.917 -0.517 18318
334 1 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.064 -0.274 18318
335 1 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.101 0.999 18318
336 1 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.147 0.153 18318
337 1 . 1 1 79 79 VAL H H 76 8.100 8.100 8.045 0.055 18318
338 1 . 1 1 80 80 GLY C C 77 175.900 175.900 175.380 0.520 18318
339 1 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.599 -0.199 18318
340 1 . 1 1 81 81 ASN N N 78 119.300 119.300 118.131 1.169 18318
341 1 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.846 -0.246 18318
342 1 . 1 1 81 81 ASN C C 78 176.700 176.700 174.817 1.883 18318
343 1 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.000 0.500 18318
344 1 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.149 -2.849 18318
345 1 . 1 1 81 81 ASN H H 78 8.200 8.200 7.877 0.323 18318
346 1 . 1 1 82 82 CYS N N 79 117.200 117.200 116.345 0.855 18318
347 1 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.775 0.625 18318
348 1 . 1 1 82 82 CYS C C 79 175.800 175.800 172.933 2.867 18318
349 1 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.889 -3.389 18318
350 1 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.946 9.354 18318
351 1 . 1 1 82 82 CYS H H 79 8.330 8.330 7.741 0.589 18318
352 1 . 1 1 83 83 ALA N N 80 125.000 125.000 125.672 -0.672 18318
353 1 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.676 -0.526 18318
354 1 . 1 1 83 83 ALA C C 80 179.900 179.900 177.367 2.534 18318
355 1 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.397 4.803 18318
356 1 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.910 -1.710 18318
357 1 . 1 1 83 83 ALA H H 80 7.700 7.700 8.403 -0.703 18318
358 1 . 1 1 84 84 GLU N N 81 118.900 118.900 124.080 -5.180 18318
359 1 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.992 -0.042 18318
360 1 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.936 0.064 18318
361 1 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.434 -0.534 18318
362 1 . 1 1 84 84 GLU H H 81 8.920 8.920 8.893 0.027 18318
363 1 . 1 1 85 85 HIS C C 82 178.500 178.500 177.018 1.482 18318
364 1 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.781 -2.681 18318
365 1 . 1 1 86 86 MET N N 83 118.800 118.800 117.856 0.944 18318
366 1 . 1 1 86 86 MET C C 83 177.200 177.200 178.334 -1.134 18318
367 1 . 1 1 86 86 MET CA C 83 58.900 58.900 58.388 0.512 18318
368 1 . 1 1 86 86 MET CB C 83 31.300 31.300 32.323 -1.023 18318
369 1 . 1 1 86 86 MET H H 83 7.460 7.460 7.999 -0.539 18318
370 1 . 1 1 87 87 ARG N N 84 119.500 119.500 118.721 0.779 18318
371 1 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.989 -0.079 18318
372 1 . 1 1 87 87 ARG C C 84 178.600 178.600 178.383 0.217 18318
373 1 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.698 1.202 18318
374 1 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.326 0.174 18318
375 1 . 1 1 87 87 ARG H H 84 8.220 8.220 7.858 0.362 18318
376 1 . 1 1 88 88 ARG N N 85 117.900 117.900 119.634 -1.734 18318
377 1 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.075 -0.155 18318
378 1 . 1 1 88 88 ARG C C 85 179.700 179.700 178.586 1.114 18318
379 1 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.426 0.074 18318
380 1 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.749 0.251 18318
381 1 . 1 1 88 88 ARG H H 85 8.100 8.100 7.860 0.240 18318
382 1 . 1 1 89 89 PHE N N 86 119.700 119.700 119.198 0.502 18318
383 1 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.285 0.065 18318
384 1 . 1 1 89 89 PHE C C 86 175.600 175.600 177.394 -1.794 18318
385 1 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.876 0.224 18318
386 1 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.041 -1.241 18318
387 1 . 1 1 89 89 PHE H H 86 7.930 7.930 7.877 0.053 18318
388 1 . 1 1 90 90 LEU N N 87 120.400 120.400 119.723 0.677 18318
389 1 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.979 -0.269 18318
390 1 . 1 1 90 90 LEU C C 87 179.200 179.200 178.713 0.487 18318
391 1 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.787 -0.087 18318
392 1 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.821 -1.521 18318
393 1 . 1 1 90 90 LEU H H 87 8.640 8.640 7.636 1.004 18318
394 1 . 1 1 91 91 GLN N N 88 118.200 118.200 118.833 -0.633 18318
395 1 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.100 -0.060 18318
396 1 . 1 1 91 91 GLN C C 88 178.000 178.000 178.548 -0.548 18318
397 1 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.062 -0.362 18318
398 1 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.497 -0.497 18318
399 1 . 1 1 91 91 GLN H H 88 8.380 8.380 8.407 -0.027 18318
400 1 . 1 1 92 92 CYS N N 89 119.000 119.000 117.585 1.415 18318
401 1 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.303 -0.253 18318
402 1 . 1 1 92 92 CYS C C 89 176.600 176.600 177.068 -0.468 18318
403 1 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.660 -1.560 18318
404 1 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.766 13.734 18318
405 1 . 1 1 92 92 CYS H H 89 7.390 7.390 8.077 -0.687 18318
406 1 . 1 1 93 93 ALA N N 90 122.900 122.900 122.164 0.736 18318
407 1 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.069 -0.159 18318
408 1 . 1 1 93 93 ALA C C 90 179.200 179.200 178.985 0.215 18318
409 1 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.588 0.112 18318
410 1 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.299 -0.499 18318
411 1 . 1 1 93 93 ALA H H 90 8.410 8.410 7.659 0.751 18318
412 1 . 1 1 94 94 GLU N N 91 115.800 115.800 118.479 -2.679 18318
413 1 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.109 0.041 18318
414 1 . 1 1 94 94 GLU C C 91 177.400 177.400 178.468 -1.068 18318
415 1 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.120 -0.220 18318
416 1 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.805 -0.405 18318
417 1 . 1 1 94 94 GLU H H 91 7.880 7.880 7.862 0.018 18318
418 1 . 1 1 95 95 GLN N N 92 115.500 115.500 118.150 -2.650 18318
419 1 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.179 0.111 18318
420 1 . 1 1 95 95 GLN C C 92 176.600 176.600 176.374 0.227 18318
421 1 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.343 -1.043 18318
422 1 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.337 -0.437 18318
423 1 . 1 1 95 95 GLN H H 92 7.450 7.450 7.868 -0.418 18318
stop_
save_