data_17926
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17926
_Entry.PDB_ID 2LJ9
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 17926
_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 79 79 ASP N N 58 123.580 123.580 123.364 0.216 17926
2 1 1 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.803 0.167 17926
3 1 1 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.969 -0.929 17926
4 1 1 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.543 0.297 17926
5 1 1 . 1 1 79 79 ASP H H 58 8.600 8.600 8.531 0.069 17926
6 1 1 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.271 0.169 17926
7 1 1 . 1 1 80 80 PRO C C 59 178.090 178.090 177.834 0.256 17926
8 1 1 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.795 -0.665 17926
9 1 1 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.855 0.354 17926
10 1 1 . 1 1 81 81 LEU N N 60 120.900 120.900 118.905 1.995 17926
11 1 1 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.921 0.419 17926
12 1 1 . 1 1 81 81 LEU C C 60 177.750 177.750 178.092 -0.342 17926
13 1 1 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.849 -1.699 17926
14 1 1 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.832 -0.152 17926
15 1 1 . 1 1 81 81 LEU H H 60 8.430 8.430 7.728 0.702 17926
16 1 1 . 1 1 82 82 GLU N N 61 120.390 120.390 119.574 0.816 17926
17 1 1 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.912 -0.002 17926
18 1 1 . 1 1 82 82 GLU C C 61 178.630 178.630 178.863 -0.233 17926
19 1 1 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.842 -0.392 17926
20 1 1 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.658 0.002 17926
21 1 1 . 1 1 82 82 GLU H H 61 7.960 7.960 8.206 -0.246 17926
22 1 1 . 1 1 83 83 GLU N N 62 118.100 118.100 119.243 -1.143 17926
23 1 1 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.040 0.080 17926
24 1 1 . 1 1 83 83 GLU C C 62 178.320 178.320 179.209 -0.889 17926
25 1 1 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.096 -2.446 17926
26 1 1 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.543 0.037 17926
27 1 1 . 1 1 83 83 GLU H H 62 8.150 8.150 8.085 0.065 17926
28 1 1 . 1 1 84 84 TYR N N 63 120.940 120.940 120.798 0.142 17926
29 1 1 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.194 0.096 17926
30 1 1 . 1 1 84 84 TYR C C 63 178.780 178.780 177.912 0.868 17926
31 1 1 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.508 0.002 17926
32 1 1 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.218 0.372 17926
33 1 1 . 1 1 84 84 TYR H H 63 8.080 8.080 7.842 0.238 17926
34 1 1 . 1 1 85 85 CYS N N 64 116.400 116.400 116.324 0.076 17926
35 1 1 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.369 0.171 17926
36 1 1 . 1 1 85 85 CYS C C 64 176.760 176.760 177.444 -0.684 17926
37 1 1 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.026 -6.796 17926
38 1 1 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.443 11.127 17926
39 1 1 . 1 1 85 85 CYS H H 64 8.810 8.810 8.064 0.746 17926
40 1 1 . 1 1 86 86 LYS N N 65 121.420 121.420 120.098 1.322 17926
41 1 1 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.183 -0.113 17926
42 1 1 . 1 1 86 86 LYS C C 65 177.870 177.870 177.181 0.689 17926
43 1 1 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.912 0.138 17926
44 1 1 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.657 -0.657 17926
45 1 1 . 1 1 86 86 LYS H H 65 7.700 7.700 7.560 0.140 17926
46 1 1 . 1 1 87 87 ASP N N 66 116.020 116.020 117.841 -1.821 17926
47 1 1 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.750 -0.070 17926
48 1 1 . 1 1 87 87 ASP C C 66 175.740 175.740 176.063 -0.323 17926
49 1 1 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.116 0.874 17926
50 1 1 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.600 0.370 17926
51 1 1 . 1 1 87 87 ASP H H 66 7.180 7.180 8.170 -0.990 17926
52 1 1 . 1 1 88 88 ASN N N 67 117.170 117.170 119.866 -2.696 17926
53 1 1 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.014 0.106 17926
54 1 1 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.384 0.216 17926
55 1 1 . 1 1 88 88 ASN CB C 67 39.850 39.850 38.940 0.910 17926
56 1 1 . 1 1 88 88 ASN H H 67 7.510 7.510 8.375 -0.865 17926
57 1 1 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.328 0.072 17926
58 1 1 . 1 1 89 89 PRO C C 68 177.710 177.710 176.845 0.865 17926
59 1 1 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.396 -0.156 17926
60 1 1 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.565 0.665 17926
61 1 1 . 1 1 90 90 GLU N N 69 117.090 117.090 115.334 1.756 17926
62 1 1 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.268 0.122 17926
63 1 1 . 1 1 90 90 GLU C C 69 177.110 177.110 176.286 0.824 17926
64 1 1 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.446 -1.315 17926
65 1 1 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.012 -1.162 17926
66 1 1 . 1 1 90 90 GLU H H 69 8.740 8.740 8.593 0.147 17926
67 1 1 . 1 1 91 91 THR N N 70 111.550 111.550 112.052 -0.502 17926
68 1 1 . 1 1 91 91 THR HA H 70 4.530 4.530 4.524 0.006 17926
69 1 1 . 1 1 91 91 THR C C 70 176.260 176.260 175.176 1.084 17926
70 1 1 . 1 1 91 91 THR CA C 70 61.400 61.400 63.187 -1.787 17926
71 1 1 . 1 1 91 91 THR CB C 70 70.900 70.900 69.112 1.788 17926
72 1 1 . 1 1 91 91 THR H H 70 7.350 7.350 7.741 -0.391 17926
73 1 1 . 1 1 92 92 ASN N N 71 122.700 122.700 120.742 1.958 17926
74 1 1 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.852 -0.472 17926
75 1 1 . 1 1 92 92 ASN C C 71 177.720 177.720 176.752 0.968 17926
76 1 1 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.567 2.193 17926
77 1 1 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.128 -0.798 17926
78 1 1 . 1 1 92 92 ASN H H 71 9.140 9.140 8.980 0.160 17926
79 1 1 . 1 1 93 93 GLU N N 72 118.080 118.080 118.339 -0.259 17926
80 1 1 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.564 -0.334 17926
81 1 1 . 1 1 93 93 GLU C C 72 176.810 176.810 176.977 -0.167 17926
82 1 1 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.635 2.025 17926
83 1 1 . 1 1 93 93 GLU CB C 72 28.820 28.820 28.787 0.033 17926
84 1 1 . 1 1 93 93 GLU H H 72 9.800 9.800 7.886 1.914 17926
85 1 1 . 1 1 94 94 CYS N N 73 117.020 117.020 117.343 -0.323 17926
86 1 1 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.407 0.433 17926
87 1 1 . 1 1 94 94 CYS C C 73 175.280 175.280 176.464 -1.184 17926
88 1 1 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.120 -4.750 17926
89 1 1 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.282 13.328 17926
90 1 1 . 1 1 94 94 CYS H H 73 7.690 7.690 8.369 -0.679 17926
91 1 1 . 1 1 95 95 ARG N N 74 121.930 121.930 120.235 1.695 17926
92 1 1 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.176 0.224 17926
93 1 1 . 1 1 95 95 ARG C C 74 176.500 176.500 177.386 -0.886 17926
94 1 1 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.406 -1.286 17926
95 1 1 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.282 0.478 17926
96 1 1 . 1 1 95 95 ARG H H 74 7.790 7.790 8.366 -0.576 17926
97 1 1 . 1 1 96 96 THR N N 75 113.200 113.200 113.062 0.138 17926
98 1 1 . 1 1 96 96 THR HA H 75 4.340 4.340 4.279 0.061 17926
99 1 1 . 1 1 96 96 THR C C 75 174.100 174.100 174.805 -0.705 17926
100 1 1 . 1 1 96 96 THR CA C 75 61.720 61.720 63.827 -2.107 17926
101 1 1 . 1 1 96 96 THR CB C 75 69.700 69.700 69.755 -0.055 17926
102 1 1 . 1 1 96 96 THR H H 75 8.100 8.100 7.835 0.265 17926
103 1 1 . 1 1 97 97 TYR N N 76 121.920 121.920 123.266 -1.346 17926
104 1 1 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.640 -0.050 17926
105 1 1 . 1 1 97 97 TYR C C 76 175.280 175.280 173.971 1.309 17926
106 1 1 . 1 1 97 97 TYR CA C 76 57.920 57.920 57.799 0.121 17926
107 1 1 . 1 1 97 97 TYR CB C 76 39.080 39.080 40.646 -1.566 17926
108 1 1 . 1 1 97 97 TYR H H 76 8.060 8.060 8.317 -0.257 17926
109 1 1 . 1 1 98 98 ASP N N 77 122.130 122.130 120.521 1.609 17926
110 1 1 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.556 0.074 17926
111 1 1 . 1 1 98 98 ASP C C 77 174.820 174.820 174.623 0.197 17926
112 1 1 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.559 0.741 17926
113 1 1 . 1 1 98 98 ASP CB C 77 41.200 41.200 42.347 -1.147 17926
114 1 1 . 1 1 98 98 ASP H H 77 8.310 8.310 7.167 1.143 17926
115 1 2 . 1 1 79 79 ASP N N 58 123.580 123.580 122.439 1.141 17926
116 1 2 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.765 0.205 17926
117 1 2 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.456 -1.416 17926
118 1 2 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.485 0.355 17926
119 1 2 . 1 1 79 79 ASP H H 58 8.600 8.600 8.268 0.332 17926
120 1 2 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.440 -0.000 17926
121 1 2 . 1 1 80 80 PRO C C 59 178.090 178.090 178.366 -0.276 17926
122 1 2 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.375 -0.245 17926
123 1 2 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.935 0.275 17926
124 1 2 . 1 1 81 81 LEU N N 60 120.900 120.900 119.426 1.474 17926
125 1 2 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.276 0.064 17926
126 1 2 . 1 1 81 81 LEU C C 60 177.750 177.750 178.122 -0.372 17926
127 1 2 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.681 -1.531 17926
128 1 2 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.615 0.065 17926
129 1 2 . 1 1 81 81 LEU H H 60 8.430 8.430 7.921 0.509 17926
130 1 2 . 1 1 82 82 GLU N N 61 120.390 120.390 119.531 0.859 17926
131 1 2 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.853 0.057 17926
132 1 2 . 1 1 82 82 GLU C C 61 178.630 178.630 178.806 -0.176 17926
133 1 2 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.217 -0.767 17926
134 1 2 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.705 -0.045 17926
135 1 2 . 1 1 82 82 GLU H H 61 7.960 7.960 8.290 -0.330 17926
136 1 2 . 1 1 83 83 GLU N N 62 118.100 118.100 118.817 -0.717 17926
137 1 2 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.051 0.069 17926
138 1 2 . 1 1 83 83 GLU C C 62 178.320 178.320 179.092 -0.772 17926
139 1 2 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.301 -2.651 17926
140 1 2 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.016 0.564 17926
141 1 2 . 1 1 83 83 GLU H H 62 8.150 8.150 8.495 -0.345 17926
142 1 2 . 1 1 84 84 TYR N N 63 120.940 120.940 120.618 0.322 17926
143 1 2 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.181 0.109 17926
144 1 2 . 1 1 84 84 TYR C C 63 178.780 178.780 178.013 0.767 17926
145 1 2 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.844 -0.334 17926
146 1 2 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.100 0.490 17926
147 1 2 . 1 1 84 84 TYR H H 63 8.080 8.080 7.764 0.316 17926
148 1 2 . 1 1 85 85 CYS N N 64 116.400 116.400 117.026 -0.626 17926
149 1 2 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.620 -0.080 17926
150 1 2 . 1 1 85 85 CYS C C 64 176.760 176.760 177.210 -0.450 17926
151 1 2 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.778 -6.548 17926
152 1 2 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.741 10.829 17926
153 1 2 . 1 1 85 85 CYS H H 64 8.810 8.810 8.086 0.724 17926
154 1 2 . 1 1 86 86 LYS N N 65 121.420 121.420 120.394 1.026 17926
155 1 2 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.089 -0.019 17926
156 1 2 . 1 1 86 86 LYS C C 65 177.870 177.870 177.695 0.175 17926
157 1 2 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.172 -0.122 17926
158 1 2 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.222 -0.222 17926
159 1 2 . 1 1 86 86 LYS H H 65 7.700 7.700 7.550 0.150 17926
160 1 2 . 1 1 87 87 ASP N N 66 116.020 116.020 117.633 -1.613 17926
161 1 2 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.622 0.058 17926
162 1 2 . 1 1 87 87 ASP C C 66 175.740 175.740 176.719 -0.979 17926
163 1 2 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.528 -0.538 17926
164 1 2 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.952 0.018 17926
165 1 2 . 1 1 87 87 ASP H H 66 7.180 7.180 7.996 -0.816 17926
166 1 2 . 1 1 88 88 ASN N N 67 117.170 117.170 118.189 -1.019 17926
167 1 2 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.225 -0.105 17926
168 1 2 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.424 0.176 17926
169 1 2 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.498 0.352 17926
170 1 2 . 1 1 88 88 ASN H H 67 7.510 7.510 8.765 -1.255 17926
171 1 2 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.649 -0.249 17926
172 1 2 . 1 1 89 89 PRO C C 68 177.710 177.710 176.544 1.166 17926
173 1 2 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.209 1.031 17926
174 1 2 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.888 0.342 17926
175 1 2 . 1 1 90 90 GLU N N 69 117.090 117.090 117.987 -0.897 17926
176 1 2 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.319 0.071 17926
177 1 2 . 1 1 90 90 GLU C C 69 177.110 177.110 176.656 0.454 17926
178 1 2 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.603 -1.473 17926
179 1 2 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.337 -1.487 17926
180 1 2 . 1 1 90 90 GLU H H 69 8.740 8.740 8.260 0.480 17926
181 1 2 . 1 1 91 91 THR N N 70 111.550 111.550 109.717 1.833 17926
182 1 2 . 1 1 91 91 THR HA H 70 4.530 4.530 4.497 0.033 17926
183 1 2 . 1 1 91 91 THR C C 70 176.260 176.260 174.456 1.804 17926
184 1 2 . 1 1 91 91 THR CA C 70 61.400 61.400 63.196 -1.796 17926
185 1 2 . 1 1 91 91 THR CB C 70 70.900 70.900 69.331 1.569 17926
186 1 2 . 1 1 91 91 THR H H 70 7.350 7.350 7.929 -0.579 17926
187 1 2 . 1 1 92 92 ASN N N 71 122.700 122.700 120.003 2.697 17926
188 1 2 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.462 -0.082 17926
189 1 2 . 1 1 92 92 ASN C C 71 177.720 177.720 176.637 1.083 17926
190 1 2 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.978 0.782 17926
191 1 2 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.166 0.164 17926
192 1 2 . 1 1 92 92 ASN H H 71 9.140 9.140 8.458 0.682 17926
193 1 2 . 1 1 93 93 GLU N N 72 118.080 118.080 117.331 0.749 17926
194 1 2 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.433 -0.203 17926
195 1 2 . 1 1 93 93 GLU C C 72 176.810 176.810 176.392 0.418 17926
196 1 2 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.498 2.162 17926
197 1 2 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.637 -1.817 17926
198 1 2 . 1 1 93 93 GLU H H 72 9.800 9.800 7.974 1.826 17926
199 1 2 . 1 1 94 94 CYS N N 73 117.020 117.020 119.199 -2.179 17926
200 1 2 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.963 -0.123 17926
201 1 2 . 1 1 94 94 CYS C C 73 175.280 175.280 176.198 -0.918 17926
202 1 2 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.506 -3.136 17926
203 1 2 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.841 13.769 17926
204 1 2 . 1 1 94 94 CYS H H 73 7.690 7.690 8.075 -0.385 17926
205 1 2 . 1 1 95 95 ARG N N 74 121.930 121.930 122.063 -0.133 17926
206 1 2 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.217 0.183 17926
207 1 2 . 1 1 95 95 ARG C C 74 176.500 176.500 176.850 -0.350 17926
208 1 2 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.578 -1.458 17926
209 1 2 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.404 0.356 17926
210 1 2 . 1 1 95 95 ARG H H 74 7.790 7.790 8.001 -0.211 17926
211 1 2 . 1 1 96 96 THR N N 75 113.200 113.200 112.761 0.439 17926
212 1 2 . 1 1 96 96 THR HA H 75 4.340 4.340 4.434 -0.094 17926
213 1 2 . 1 1 96 96 THR C C 75 174.100 174.100 174.956 -0.856 17926
214 1 2 . 1 1 96 96 THR CA C 75 61.720 61.720 63.102 -1.382 17926
215 1 2 . 1 1 96 96 THR CB C 75 69.700 69.700 70.447 -0.747 17926
216 1 2 . 1 1 96 96 THR H H 75 8.100 8.100 8.084 0.016 17926
217 1 2 . 1 1 97 97 TYR N N 76 121.920 121.920 121.732 0.188 17926
218 1 2 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.466 0.124 17926
219 1 2 . 1 1 97 97 TYR C C 76 175.280 175.280 175.471 -0.191 17926
220 1 2 . 1 1 97 97 TYR CA C 76 57.920 57.920 58.943 -1.022 17926
221 1 2 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.288 -0.208 17926
222 1 2 . 1 1 97 97 TYR H H 76 8.060 8.060 8.107 -0.047 17926
223 1 2 . 1 1 98 98 ASP N N 77 122.130 122.130 118.676 3.454 17926
224 1 2 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.264 0.366 17926
225 1 2 . 1 1 98 98 ASP C C 77 174.820 174.820 174.134 0.686 17926
226 1 2 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.812 -0.512 17926
227 1 2 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.334 -0.134 17926
228 1 2 . 1 1 98 98 ASP H H 77 8.310 8.310 8.187 0.123 17926
229 1 3 . 1 1 79 79 ASP N N 58 123.580 123.580 122.552 1.028 17926
230 1 3 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.811 0.159 17926
231 1 3 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.100 -1.060 17926
232 1 3 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.338 0.502 17926
233 1 3 . 1 1 79 79 ASP H H 58 8.600 8.600 8.299 0.301 17926
234 1 3 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.293 0.147 17926
235 1 3 . 1 1 80 80 PRO C C 59 178.090 178.090 177.928 0.162 17926
236 1 3 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.755 -0.626 17926
237 1 3 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.967 0.243 17926
238 1 3 . 1 1 81 81 LEU N N 60 120.900 120.900 118.566 2.334 17926
239 1 3 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.956 0.384 17926
240 1 3 . 1 1 81 81 LEU C C 60 177.750 177.750 178.105 -0.355 17926
241 1 3 . 1 1 81 81 LEU CA C 60 56.150 56.150 58.054 -1.904 17926
242 1 3 . 1 1 81 81 LEU CB C 60 41.680 41.680 42.017 -0.337 17926
243 1 3 . 1 1 81 81 LEU H H 60 8.430 8.430 7.718 0.712 17926
244 1 3 . 1 1 82 82 GLU N N 61 120.390 120.390 118.623 1.767 17926
245 1 3 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.977 -0.067 17926
246 1 3 . 1 1 82 82 GLU C C 61 178.630 178.630 179.109 -0.479 17926
247 1 3 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.733 -0.283 17926
248 1 3 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.439 0.221 17926
249 1 3 . 1 1 82 82 GLU H H 61 7.960 7.960 7.910 0.050 17926
250 1 3 . 1 1 83 83 GLU N N 62 118.100 118.100 118.574 -0.474 17926
251 1 3 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.113 0.007 17926
252 1 3 . 1 1 83 83 GLU C C 62 178.320 178.320 179.164 -0.844 17926
253 1 3 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.240 -2.590 17926
254 1 3 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.232 0.348 17926
255 1 3 . 1 1 83 83 GLU H H 62 8.150 8.150 7.813 0.337 17926
256 1 3 . 1 1 84 84 TYR N N 63 120.940 120.940 120.769 0.171 17926
257 1 3 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.194 0.096 17926
258 1 3 . 1 1 84 84 TYR C C 63 178.780 178.780 177.836 0.944 17926
259 1 3 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.966 -0.456 17926
260 1 3 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.138 0.452 17926
261 1 3 . 1 1 84 84 TYR H H 63 8.080 8.080 7.519 0.561 17926
262 1 3 . 1 1 85 85 CYS N N 64 116.400 116.400 115.275 1.125 17926
263 1 3 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.249 0.291 17926
264 1 3 . 1 1 85 85 CYS C C 64 176.760 176.760 176.843 -0.083 17926
265 1 3 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.591 -6.361 17926
266 1 3 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.469 11.101 17926
267 1 3 . 1 1 85 85 CYS H H 64 8.810 8.810 7.898 0.912 17926
268 1 3 . 1 1 86 86 LYS N N 65 121.420 121.420 119.575 1.845 17926
269 1 3 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.201 -0.131 17926
270 1 3 . 1 1 86 86 LYS C C 65 177.870 177.870 177.007 0.863 17926
271 1 3 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.584 0.466 17926
272 1 3 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.556 -0.556 17926
273 1 3 . 1 1 86 86 LYS H H 65 7.700 7.700 7.481 0.219 17926
274 1 3 . 1 1 87 87 ASP N N 66 116.020 116.020 117.977 -1.957 17926
275 1 3 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.641 0.039 17926
276 1 3 . 1 1 87 87 ASP C C 66 175.740 175.740 176.503 -0.763 17926
277 1 3 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.647 0.343 17926
278 1 3 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.179 0.791 17926
279 1 3 . 1 1 87 87 ASP H H 66 7.180 7.180 8.034 -0.854 17926
280 1 3 . 1 1 88 88 ASN N N 67 117.170 117.170 118.804 -1.634 17926
281 1 3 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.106 0.014 17926
282 1 3 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.315 0.285 17926
283 1 3 . 1 1 88 88 ASN CB C 67 39.850 39.850 38.966 0.884 17926
284 1 3 . 1 1 88 88 ASN H H 67 7.510 7.510 8.208 -0.698 17926
285 1 3 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.320 0.080 17926
286 1 3 . 1 1 89 89 PRO C C 68 177.710 177.710 178.018 -0.308 17926
287 1 3 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.046 0.194 17926
288 1 3 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.199 0.031 17926
289 1 3 . 1 1 90 90 GLU N N 69 117.090 117.090 117.411 -0.321 17926
290 1 3 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.304 0.086 17926
291 1 3 . 1 1 90 90 GLU C C 69 177.110 177.110 175.931 1.179 17926
292 1 3 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.405 -2.275 17926
293 1 3 . 1 1 90 90 GLU CB C 69 28.850 28.850 28.815 0.035 17926
294 1 3 . 1 1 90 90 GLU H H 69 8.740 8.740 8.914 -0.174 17926
295 1 3 . 1 1 91 91 THR N N 70 111.550 111.550 109.115 2.435 17926
296 1 3 . 1 1 91 91 THR HA H 70 4.530 4.530 4.528 0.002 17926
297 1 3 . 1 1 91 91 THR C C 70 176.260 176.260 174.766 1.494 17926
298 1 3 . 1 1 91 91 THR CA C 70 61.400 61.400 60.230 1.170 17926
299 1 3 . 1 1 91 91 THR CB C 70 70.900 70.900 68.147 2.752 17926
300 1 3 . 1 1 91 91 THR H H 70 7.350 7.350 7.587 -0.237 17926
301 1 3 . 1 1 92 92 ASN N N 71 122.700 122.700 120.135 2.565 17926
302 1 3 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.443 -0.063 17926
303 1 3 . 1 1 92 92 ASN C C 71 177.720 177.720 175.806 1.914 17926
304 1 3 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.701 2.059 17926
305 1 3 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.338 -0.008 17926
306 1 3 . 1 1 92 92 ASN H H 71 9.140 9.140 7.850 1.290 17926
307 1 3 . 1 1 93 93 GLU N N 72 118.080 118.080 118.157 -0.077 17926
308 1 3 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.416 -0.186 17926
309 1 3 . 1 1 93 93 GLU C C 72 176.810 176.810 177.249 -0.439 17926
310 1 3 . 1 1 93 93 GLU CA C 72 58.660 58.660 55.983 2.677 17926
311 1 3 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.140 -0.320 17926
312 1 3 . 1 1 93 93 GLU H H 72 9.800 9.800 8.313 1.487 17926
313 1 3 . 1 1 94 94 CYS N N 73 117.020 117.020 118.877 -1.857 17926
314 1 3 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.324 0.516 17926
315 1 3 . 1 1 94 94 CYS C C 73 175.280 175.280 175.291 -0.011 17926
316 1 3 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.574 -3.204 17926
317 1 3 . 1 1 94 94 CYS CB C 73 39.610 39.610 24.783 14.827 17926
318 1 3 . 1 1 94 94 CYS H H 73 7.690 7.690 8.732 -1.042 17926
319 1 3 . 1 1 95 95 ARG N N 74 121.930 121.930 122.488 -0.558 17926
320 1 3 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.295 0.105 17926
321 1 3 . 1 1 95 95 ARG C C 74 176.500 176.500 176.511 -0.011 17926
322 1 3 . 1 1 95 95 ARG CA C 74 57.120 57.120 56.361 0.759 17926
323 1 3 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.188 0.572 17926
324 1 3 . 1 1 95 95 ARG H H 74 7.790 7.790 8.579 -0.789 17926
325 1 3 . 1 1 96 96 THR N N 75 113.200 113.200 111.246 1.954 17926
326 1 3 . 1 1 96 96 THR HA H 75 4.340 4.340 4.097 0.243 17926
327 1 3 . 1 1 96 96 THR C C 75 174.100 174.100 174.080 0.020 17926
328 1 3 . 1 1 96 96 THR CA C 75 61.720 61.720 63.272 -1.552 17926
329 1 3 . 1 1 96 96 THR CB C 75 69.700 69.700 69.406 0.294 17926
330 1 3 . 1 1 96 96 THR H H 75 8.100 8.100 7.484 0.616 17926
331 1 3 . 1 1 97 97 TYR N N 76 121.920 121.920 121.831 0.089 17926
332 1 3 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.569 0.021 17926
333 1 3 . 1 1 97 97 TYR C C 76 175.280 175.280 176.402 -1.122 17926
334 1 3 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.426 -1.506 17926
335 1 3 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.147 -0.067 17926
336 1 3 . 1 1 97 97 TYR H H 76 8.060 8.060 8.451 -0.391 17926
337 1 3 . 1 1 98 98 ASP N N 77 122.130 122.130 119.561 2.569 17926
338 1 3 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.793 -0.163 17926
339 1 3 . 1 1 98 98 ASP C C 77 174.820 174.820 175.870 -1.050 17926
340 1 3 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.257 0.043 17926
341 1 3 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.596 -0.396 17926
342 1 3 . 1 1 98 98 ASP H H 77 8.310 8.310 8.264 0.046 17926
343 1 4 . 1 1 79 79 ASP N N 58 123.580 123.580 123.146 0.434 17926
344 1 4 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.790 0.180 17926
345 1 4 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.222 -1.183 17926
346 1 4 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.617 0.223 17926
347 1 4 . 1 1 79 79 ASP H H 58 8.600 8.600 8.551 0.049 17926
348 1 4 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.249 0.191 17926
349 1 4 . 1 1 80 80 PRO C C 59 178.090 178.090 177.624 0.466 17926
350 1 4 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.763 -0.633 17926
351 1 4 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.755 0.455 17926
352 1 4 . 1 1 81 81 LEU N N 60 120.900 120.900 117.347 3.553 17926
353 1 4 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.819 0.521 17926
354 1 4 . 1 1 81 81 LEU C C 60 177.750 177.750 179.130 -1.380 17926
355 1 4 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.854 -1.704 17926
356 1 4 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.277 0.403 17926
357 1 4 . 1 1 81 81 LEU H H 60 8.430 8.430 7.648 0.782 17926
358 1 4 . 1 1 82 82 GLU N N 61 120.390 120.390 118.760 1.630 17926
359 1 4 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.945 -0.035 17926
360 1 4 . 1 1 82 82 GLU C C 61 178.630 178.630 179.091 -0.461 17926
361 1 4 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.685 -0.235 17926
362 1 4 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.297 0.363 17926
363 1 4 . 1 1 82 82 GLU H H 61 7.960 7.960 8.236 -0.276 17926
364 1 4 . 1 1 83 83 GLU N N 62 118.100 118.100 119.885 -1.785 17926
365 1 4 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.077 0.043 17926
366 1 4 . 1 1 83 83 GLU C C 62 178.320 178.320 179.087 -0.767 17926
367 1 4 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.004 -2.354 17926
368 1 4 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.620 -0.040 17926
369 1 4 . 1 1 83 83 GLU H H 62 8.150 8.150 8.231 -0.081 17926
370 1 4 . 1 1 84 84 TYR N N 63 120.940 120.940 120.754 0.186 17926
371 1 4 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.177 0.113 17926
372 1 4 . 1 1 84 84 TYR C C 63 178.780 178.780 177.984 0.796 17926
373 1 4 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.444 0.066 17926
374 1 4 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.998 0.592 17926
375 1 4 . 1 1 84 84 TYR H H 63 8.080 8.080 8.048 0.032 17926
376 1 4 . 1 1 85 85 CYS N N 64 116.400 116.400 117.891 -1.491 17926
377 1 4 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.487 0.053 17926
378 1 4 . 1 1 85 85 CYS C C 64 176.760 176.760 177.105 -0.345 17926
379 1 4 . 1 1 85 85 CYS CA C 64 55.230 55.230 60.528 -5.298 17926
380 1 4 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.580 10.990 17926
381 1 4 . 1 1 85 85 CYS H H 64 8.810 8.810 8.048 0.762 17926
382 1 4 . 1 1 86 86 LYS N N 65 121.420 121.420 120.371 1.049 17926
383 1 4 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.047 0.023 17926
384 1 4 . 1 1 86 86 LYS C C 65 177.870 177.870 177.774 0.096 17926
385 1 4 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.245 -0.195 17926
386 1 4 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.162 -0.162 17926
387 1 4 . 1 1 86 86 LYS H H 65 7.700 7.700 7.468 0.232 17926
388 1 4 . 1 1 87 87 ASP N N 66 116.020 116.020 117.437 -1.417 17926
389 1 4 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.597 0.083 17926
390 1 4 . 1 1 87 87 ASP C C 66 175.740 175.740 176.754 -1.014 17926
391 1 4 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.667 -0.677 17926
392 1 4 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.724 0.246 17926
393 1 4 . 1 1 87 87 ASP H H 66 7.180 7.180 7.948 -0.768 17926
394 1 4 . 1 1 88 88 ASN N N 67 117.170 117.170 118.464 -1.294 17926
395 1 4 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.153 -0.033 17926
396 1 4 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.261 0.339 17926
397 1 4 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.267 0.583 17926
398 1 4 . 1 1 88 88 ASN H H 67 7.510 7.510 8.584 -1.074 17926
399 1 4 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.617 -0.217 17926
400 1 4 . 1 1 89 89 PRO C C 68 177.710 177.710 176.935 0.775 17926
401 1 4 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.786 0.454 17926
402 1 4 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.913 0.317 17926
403 1 4 . 1 1 90 90 GLU N N 69 117.090 117.090 116.934 0.156 17926
404 1 4 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.317 0.073 17926
405 1 4 . 1 1 90 90 GLU C C 69 177.110 177.110 176.467 0.643 17926
406 1 4 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.761 -1.631 17926
407 1 4 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.060 -1.210 17926
408 1 4 . 1 1 90 90 GLU H H 69 8.740 8.740 8.209 0.531 17926
409 1 4 . 1 1 91 91 THR N N 70 111.550 111.550 109.597 1.953 17926
410 1 4 . 1 1 91 91 THR HA H 70 4.530 4.530 4.449 0.081 17926
411 1 4 . 1 1 91 91 THR C C 70 176.260 176.260 174.536 1.724 17926
412 1 4 . 1 1 91 91 THR CA C 70 61.400 61.400 63.324 -1.924 17926
413 1 4 . 1 1 91 91 THR CB C 70 70.900 70.900 69.615 1.285 17926
414 1 4 . 1 1 91 91 THR H H 70 7.350 7.350 7.851 -0.501 17926
415 1 4 . 1 1 92 92 ASN N N 71 122.700 122.700 119.524 3.176 17926
416 1 4 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.410 -0.030 17926
417 1 4 . 1 1 92 92 ASN C C 71 177.720 177.720 176.216 1.504 17926
418 1 4 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.021 0.739 17926
419 1 4 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.222 0.108 17926
420 1 4 . 1 1 92 92 ASN H H 71 9.140 9.140 8.417 0.723 17926
421 1 4 . 1 1 93 93 GLU N N 72 118.080 118.080 116.497 1.583 17926
422 1 4 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.585 -0.355 17926
423 1 4 . 1 1 93 93 GLU C C 72 176.810 176.810 176.857 -0.047 17926
424 1 4 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.308 2.352 17926
425 1 4 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.454 -1.634 17926
426 1 4 . 1 1 93 93 GLU H H 72 9.800 9.800 8.303 1.497 17926
427 1 4 . 1 1 94 94 CYS N N 73 117.020 117.020 118.721 -1.701 17926
428 1 4 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.678 0.162 17926
429 1 4 . 1 1 94 94 CYS C C 73 175.280 175.280 175.358 -0.078 17926
430 1 4 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.595 -3.225 17926
431 1 4 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.869 13.741 17926
432 1 4 . 1 1 94 94 CYS H H 73 7.690 7.690 8.185 -0.495 17926
433 1 4 . 1 1 95 95 ARG N N 74 121.930 121.930 120.370 1.560 17926
434 1 4 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.296 0.104 17926
435 1 4 . 1 1 95 95 ARG C C 74 176.500 176.500 176.680 -0.180 17926
436 1 4 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.873 -0.753 17926
437 1 4 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.889 -0.129 17926
438 1 4 . 1 1 95 95 ARG H H 74 7.790 7.790 8.153 -0.363 17926
439 1 4 . 1 1 96 96 THR N N 75 113.200 113.200 115.620 -2.420 17926
440 1 4 . 1 1 96 96 THR HA H 75 4.340 4.340 4.183 0.157 17926
441 1 4 . 1 1 96 96 THR C C 75 174.100 174.100 174.983 -0.883 17926
442 1 4 . 1 1 96 96 THR CA C 75 61.720 61.720 63.168 -1.448 17926
443 1 4 . 1 1 96 96 THR CB C 75 69.700 69.700 69.184 0.516 17926
444 1 4 . 1 1 96 96 THR H H 75 8.100 8.100 7.798 0.302 17926
445 1 4 . 1 1 97 97 TYR N N 76 121.920 121.920 120.152 1.768 17926
446 1 4 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.334 0.256 17926
447 1 4 . 1 1 97 97 TYR C C 76 175.280 175.280 175.599 -0.319 17926
448 1 4 . 1 1 97 97 TYR CA C 76 57.920 57.920 58.807 -0.887 17926
449 1 4 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.974 0.106 17926
450 1 4 . 1 1 97 97 TYR H H 76 8.060 8.060 8.358 -0.298 17926
451 1 4 . 1 1 98 98 ASP N N 77 122.130 122.130 118.382 3.748 17926
452 1 4 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.820 -0.190 17926
453 1 4 . 1 1 98 98 ASP C C 77 174.820 174.820 174.004 0.816 17926
454 1 4 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.557 0.743 17926
455 1 4 . 1 1 98 98 ASP CB C 77 41.200 41.200 42.869 -1.669 17926
456 1 4 . 1 1 98 98 ASP H H 77 8.310 8.310 8.586 -0.276 17926
457 1 5 . 1 1 79 79 ASP N N 58 123.580 123.580 122.349 1.231 17926
458 1 5 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.776 0.194 17926
459 1 5 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.973 -0.933 17926
460 1 5 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.251 0.589 17926
461 1 5 . 1 1 79 79 ASP H H 58 8.600 8.600 8.380 0.220 17926
462 1 5 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.244 0.196 17926
463 1 5 . 1 1 80 80 PRO C C 59 178.090 178.090 177.494 0.596 17926
464 1 5 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.925 -0.795 17926
465 1 5 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.660 0.550 17926
466 1 5 . 1 1 81 81 LEU N N 60 120.900 120.900 115.824 5.076 17926
467 1 5 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.967 0.373 17926
468 1 5 . 1 1 81 81 LEU C C 60 177.750 177.750 178.255 -0.505 17926
469 1 5 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.413 -1.263 17926
470 1 5 . 1 1 81 81 LEU CB C 60 41.680 41.680 40.861 0.820 17926
471 1 5 . 1 1 81 81 LEU H H 60 8.430 8.430 7.567 0.863 17926
472 1 5 . 1 1 82 82 GLU N N 61 120.390 120.390 118.759 1.631 17926
473 1 5 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.908 0.002 17926
474 1 5 . 1 1 82 82 GLU C C 61 178.630 178.630 178.819 -0.189 17926
475 1 5 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.351 0.099 17926
476 1 5 . 1 1 82 82 GLU CB C 61 29.660 29.660 28.661 0.999 17926
477 1 5 . 1 1 82 82 GLU H H 61 7.960 7.960 8.461 -0.501 17926
478 1 5 . 1 1 83 83 GLU N N 62 118.100 118.100 119.401 -1.301 17926
479 1 5 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.138 -0.018 17926
480 1 5 . 1 1 83 83 GLU C C 62 178.320 178.320 178.762 -0.442 17926
481 1 5 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.695 -2.045 17926
482 1 5 . 1 1 83 83 GLU CB C 62 29.580 29.580 28.753 0.827 17926
483 1 5 . 1 1 83 83 GLU H H 62 8.150 8.150 7.995 0.155 17926
484 1 5 . 1 1 84 84 TYR N N 63 120.940 120.940 121.387 -0.447 17926
485 1 5 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.206 0.084 17926
486 1 5 . 1 1 84 84 TYR C C 63 178.780 178.780 177.951 0.829 17926
487 1 5 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.405 0.105 17926
488 1 5 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.916 0.674 17926
489 1 5 . 1 1 84 84 TYR H H 63 8.080 8.080 7.732 0.348 17926
490 1 5 . 1 1 85 85 CYS N N 64 116.400 116.400 116.722 -0.322 17926
491 1 5 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.611 -0.071 17926
492 1 5 . 1 1 85 85 CYS C C 64 176.760 176.760 177.177 -0.417 17926
493 1 5 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.541 -6.311 17926
494 1 5 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.666 10.903 17926
495 1 5 . 1 1 85 85 CYS H H 64 8.810 8.810 8.073 0.737 17926
496 1 5 . 1 1 86 86 LYS N N 65 121.420 121.420 120.592 0.828 17926
497 1 5 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.090 -0.020 17926
498 1 5 . 1 1 86 86 LYS C C 65 177.870 177.870 177.619 0.251 17926
499 1 5 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.019 0.031 17926
500 1 5 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.044 -0.043 17926
501 1 5 . 1 1 86 86 LYS H H 65 7.700 7.700 7.519 0.181 17926
502 1 5 . 1 1 87 87 ASP N N 66 116.020 116.020 117.742 -1.722 17926
503 1 5 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.602 0.078 17926
504 1 5 . 1 1 87 87 ASP C C 66 175.740 175.740 176.796 -1.056 17926
505 1 5 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.721 -0.731 17926
506 1 5 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.787 0.183 17926
507 1 5 . 1 1 87 87 ASP H H 66 7.180 7.180 7.985 -0.805 17926
508 1 5 . 1 1 88 88 ASN N N 67 117.170 117.170 118.079 -0.909 17926
509 1 5 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.158 -0.038 17926
510 1 5 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.281 0.319 17926
511 1 5 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.339 0.511 17926
512 1 5 . 1 1 88 88 ASN H H 67 7.510 7.510 8.636 -1.126 17926
513 1 5 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.610 -0.210 17926
514 1 5 . 1 1 89 89 PRO C C 68 177.710 177.710 176.529 1.181 17926
515 1 5 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.305 0.935 17926
516 1 5 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.849 0.381 17926
517 1 5 . 1 1 90 90 GLU N N 69 117.090 117.090 118.540 -1.450 17926
518 1 5 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.319 0.071 17926
519 1 5 . 1 1 90 90 GLU C C 69 177.110 177.110 176.488 0.622 17926
520 1 5 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.714 -1.584 17926
521 1 5 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.005 -1.155 17926
522 1 5 . 1 1 90 90 GLU H H 69 8.740 8.740 8.148 0.592 17926
523 1 5 . 1 1 91 91 THR N N 70 111.550 111.550 109.375 2.175 17926
524 1 5 . 1 1 91 91 THR HA H 70 4.530 4.530 4.452 0.078 17926
525 1 5 . 1 1 91 91 THR C C 70 176.260 176.260 174.793 1.467 17926
526 1 5 . 1 1 91 91 THR CA C 70 61.400 61.400 62.492 -1.092 17926
527 1 5 . 1 1 91 91 THR CB C 70 70.900 70.900 69.497 1.403 17926
528 1 5 . 1 1 91 91 THR H H 70 7.350 7.350 7.818 -0.468 17926
529 1 5 . 1 1 92 92 ASN N N 71 122.700 122.700 119.997 2.703 17926
530 1 5 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.466 -0.086 17926
531 1 5 . 1 1 92 92 ASN C C 71 177.720 177.720 176.634 1.086 17926
532 1 5 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.937 0.823 17926
533 1 5 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.100 0.230 17926
534 1 5 . 1 1 92 92 ASN H H 71 9.140 9.140 8.519 0.621 17926
535 1 5 . 1 1 93 93 GLU N N 72 118.080 118.080 117.645 0.435 17926
536 1 5 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.630 -0.400 17926
537 1 5 . 1 1 93 93 GLU C C 72 176.810 176.810 176.642 0.168 17926
538 1 5 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.554 2.106 17926
539 1 5 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.587 -1.767 17926
540 1 5 . 1 1 93 93 GLU H H 72 9.800 9.800 8.318 1.482 17926
541 1 5 . 1 1 94 94 CYS N N 73 117.020 117.020 118.895 -1.875 17926
542 1 5 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.862 -0.022 17926
543 1 5 . 1 1 94 94 CYS C C 73 175.280 175.280 175.450 -0.170 17926
544 1 5 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.247 -2.877 17926
545 1 5 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.982 13.629 17926
546 1 5 . 1 1 94 94 CYS H H 73 7.690 7.690 8.060 -0.370 17926
547 1 5 . 1 1 95 95 ARG N N 74 121.930 121.930 120.641 1.289 17926
548 1 5 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.222 0.178 17926
549 1 5 . 1 1 95 95 ARG C C 74 176.500 176.500 177.051 -0.551 17926
550 1 5 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.837 -0.716 17926
551 1 5 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.807 -0.047 17926
552 1 5 . 1 1 95 95 ARG H H 74 7.790 7.790 8.132 -0.342 17926
553 1 5 . 1 1 96 96 THR N N 75 113.200 113.200 111.433 1.767 17926
554 1 5 . 1 1 96 96 THR HA H 75 4.340 4.340 4.115 0.225 17926
555 1 5 . 1 1 96 96 THR C C 75 174.100 174.100 174.092 0.008 17926
556 1 5 . 1 1 96 96 THR CA C 75 61.720 61.720 63.785 -2.064 17926
557 1 5 . 1 1 96 96 THR CB C 75 69.700 69.700 68.723 0.977 17926
558 1 5 . 1 1 96 96 THR H H 75 8.100 8.100 7.820 0.280 17926
559 1 5 . 1 1 97 97 TYR N N 76 121.920 121.920 122.243 -0.323 17926
560 1 5 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.587 0.003 17926
561 1 5 . 1 1 97 97 TYR C C 76 175.280 175.280 175.522 -0.242 17926
562 1 5 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.084 -1.163 17926
563 1 5 . 1 1 97 97 TYR CB C 76 39.080 39.080 40.055 -0.975 17926
564 1 5 . 1 1 97 97 TYR H H 76 8.060 8.060 8.404 -0.344 17926
565 1 5 . 1 1 98 98 ASP N N 77 122.130 122.130 118.374 3.756 17926
566 1 5 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.859 -0.229 17926
567 1 5 . 1 1 98 98 ASP C C 77 174.820 174.820 174.730 0.090 17926
568 1 5 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.654 0.646 17926
569 1 5 . 1 1 98 98 ASP CB C 77 41.200 41.200 44.412 -3.212 17926
570 1 5 . 1 1 98 98 ASP H H 77 8.310 8.310 8.293 0.017 17926
571 1 6 . 1 1 79 79 ASP N N 58 123.580 123.580 122.576 1.004 17926
572 1 6 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.758 0.212 17926
573 1 6 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.401 -1.361 17926
574 1 6 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.346 0.493 17926
575 1 6 . 1 1 79 79 ASP H H 58 8.600 8.600 8.278 0.322 17926
576 1 6 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.253 0.187 17926
577 1 6 . 1 1 80 80 PRO C C 59 178.090 178.090 177.462 0.628 17926
578 1 6 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.890 -0.760 17926
579 1 6 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.739 0.471 17926
580 1 6 . 1 1 81 81 LEU N N 60 120.900 120.900 114.824 6.076 17926
581 1 6 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.204 0.136 17926
582 1 6 . 1 1 81 81 LEU C C 60 177.750 177.750 178.343 -0.593 17926
583 1 6 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.360 -1.210 17926
584 1 6 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.071 0.609 17926
585 1 6 . 1 1 81 81 LEU H H 60 8.430 8.430 7.515 0.915 17926
586 1 6 . 1 1 82 82 GLU N N 61 120.390 120.390 120.300 0.090 17926
587 1 6 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.865 0.045 17926
588 1 6 . 1 1 82 82 GLU C C 61 178.630 178.630 178.870 -0.240 17926
589 1 6 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.188 -0.738 17926
590 1 6 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.668 -0.007 17926
591 1 6 . 1 1 82 82 GLU H H 61 7.960 7.960 8.601 -0.641 17926
592 1 6 . 1 1 83 83 GLU N N 62 118.100 118.100 117.950 0.150 17926
593 1 6 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.073 0.047 17926
594 1 6 . 1 1 83 83 GLU C C 62 178.320 178.320 178.864 -0.544 17926
595 1 6 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.234 -2.584 17926
596 1 6 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.123 0.457 17926
597 1 6 . 1 1 83 83 GLU H H 62 8.150 8.150 8.232 -0.082 17926
598 1 6 . 1 1 84 84 TYR N N 63 120.940 120.940 120.277 0.663 17926
599 1 6 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.234 0.056 17926
600 1 6 . 1 1 84 84 TYR C C 63 178.780 178.780 177.867 0.913 17926
601 1 6 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.723 -0.213 17926
602 1 6 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.993 0.597 17926
603 1 6 . 1 1 84 84 TYR H H 63 8.080 8.080 7.728 0.352 17926
604 1 6 . 1 1 85 85 CYS N N 64 116.400 116.400 117.111 -0.711 17926
605 1 6 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.364 0.176 17926
606 1 6 . 1 1 85 85 CYS C C 64 176.760 176.760 176.701 0.059 17926
607 1 6 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.326 -7.096 17926
608 1 6 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.498 11.072 17926
609 1 6 . 1 1 85 85 CYS H H 64 8.810 8.810 8.110 0.700 17926
610 1 6 . 1 1 86 86 LYS N N 65 121.420 121.420 120.124 1.296 17926
611 1 6 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.090 -0.020 17926
612 1 6 . 1 1 86 86 LYS C C 65 177.870 177.870 177.764 0.106 17926
613 1 6 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.138 -0.088 17926
614 1 6 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.211 -0.210 17926
615 1 6 . 1 1 86 86 LYS H H 65 7.700 7.700 7.514 0.186 17926
616 1 6 . 1 1 87 87 ASP N N 66 116.020 116.020 117.588 -1.568 17926
617 1 6 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.558 0.122 17926
618 1 6 . 1 1 87 87 ASP C C 66 175.740 175.740 176.704 -0.964 17926
619 1 6 . 1 1 87 87 ASP CA C 66 54.990 54.990 56.284 -1.294 17926
620 1 6 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.352 0.619 17926
621 1 6 . 1 1 87 87 ASP H H 66 7.180 7.180 8.079 -0.899 17926
622 1 6 . 1 1 88 88 ASN N N 67 117.170 117.170 117.453 -0.283 17926
623 1 6 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.162 -0.042 17926
624 1 6 . 1 1 88 88 ASN CA C 67 51.600 51.600 50.791 0.809 17926
625 1 6 . 1 1 88 88 ASN CB C 67 39.850 39.850 38.486 1.364 17926
626 1 6 . 1 1 88 88 ASN H H 67 7.510 7.510 8.375 -0.865 17926
627 1 6 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.440 -0.040 17926
628 1 6 . 1 1 89 89 PRO C C 68 177.710 177.710 177.265 0.445 17926
629 1 6 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.130 0.110 17926
630 1 6 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.076 0.154 17926
631 1 6 . 1 1 90 90 GLU N N 69 117.090 117.090 115.319 1.771 17926
632 1 6 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.270 0.120 17926
633 1 6 . 1 1 90 90 GLU C C 69 177.110 177.110 176.161 0.949 17926
634 1 6 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.421 -1.291 17926
635 1 6 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.077 -1.227 17926
636 1 6 . 1 1 90 90 GLU H H 69 8.740 8.740 8.489 0.251 17926
637 1 6 . 1 1 91 91 THR N N 70 111.550 111.550 110.810 0.740 17926
638 1 6 . 1 1 91 91 THR HA H 70 4.530 4.530 4.473 0.057 17926
639 1 6 . 1 1 91 91 THR C C 70 176.260 176.260 174.330 1.930 17926
640 1 6 . 1 1 91 91 THR CA C 70 61.400 61.400 63.223 -1.823 17926
641 1 6 . 1 1 91 91 THR CB C 70 70.900 70.900 69.919 0.981 17926
642 1 6 . 1 1 91 91 THR H H 70 7.350 7.350 7.856 -0.506 17926
643 1 6 . 1 1 92 92 ASN N N 71 122.700 122.700 120.871 1.829 17926
644 1 6 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.442 -0.062 17926
645 1 6 . 1 1 92 92 ASN C C 71 177.720 177.720 176.225 1.495 17926
646 1 6 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.806 0.954 17926
647 1 6 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.055 0.275 17926
648 1 6 . 1 1 92 92 ASN H H 71 9.140 9.140 8.419 0.721 17926
649 1 6 . 1 1 93 93 GLU N N 72 118.080 118.080 117.737 0.343 17926
650 1 6 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.419 -0.189 17926
651 1 6 . 1 1 93 93 GLU C C 72 176.810 176.810 177.008 -0.198 17926
652 1 6 . 1 1 93 93 GLU CA C 72 58.660 58.660 57.557 1.103 17926
653 1 6 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.369 -1.549 17926
654 1 6 . 1 1 93 93 GLU H H 72 9.800 9.800 8.406 1.394 17926
655 1 6 . 1 1 94 94 CYS N N 73 117.020 117.020 119.527 -2.507 17926
656 1 6 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.873 -0.033 17926
657 1 6 . 1 1 94 94 CYS C C 73 175.280 175.280 176.013 -0.733 17926
658 1 6 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.346 -2.976 17926
659 1 6 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.133 14.477 17926
660 1 6 . 1 1 94 94 CYS H H 73 7.690 7.690 8.326 -0.636 17926
661 1 6 . 1 1 95 95 ARG N N 74 121.930 121.930 120.405 1.525 17926
662 1 6 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.211 0.189 17926
663 1 6 . 1 1 95 95 ARG C C 74 176.500 176.500 176.632 -0.132 17926
664 1 6 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.505 -0.385 17926
665 1 6 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.110 0.649 17926
666 1 6 . 1 1 95 95 ARG H H 74 7.790 7.790 8.208 -0.418 17926
667 1 6 . 1 1 96 96 THR N N 75 113.200 113.200 114.730 -1.530 17926
668 1 6 . 1 1 96 96 THR HA H 75 4.340 4.340 4.464 -0.124 17926
669 1 6 . 1 1 96 96 THR C C 75 174.100 174.100 173.839 0.261 17926
670 1 6 . 1 1 96 96 THR CA C 75 61.720 61.720 61.383 0.337 17926
671 1 6 . 1 1 96 96 THR CB C 75 69.700 69.700 70.215 -0.515 17926
672 1 6 . 1 1 96 96 THR H H 75 8.100 8.100 7.752 0.348 17926
673 1 6 . 1 1 97 97 TYR N N 76 121.920 121.920 119.072 2.848 17926
674 1 6 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.601 -0.011 17926
675 1 6 . 1 1 97 97 TYR C C 76 175.280 175.280 175.610 -0.330 17926
676 1 6 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.699 -1.778 17926
677 1 6 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.482 -0.402 17926
678 1 6 . 1 1 97 97 TYR H H 76 8.060 8.060 8.426 -0.366 17926
679 1 6 . 1 1 98 98 ASP N N 77 122.130 122.130 117.973 4.157 17926
680 1 6 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.770 -0.140 17926
681 1 6 . 1 1 98 98 ASP C C 77 174.820 174.820 174.450 0.370 17926
682 1 6 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.701 0.599 17926
683 1 6 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.844 -0.644 17926
684 1 6 . 1 1 98 98 ASP H H 77 8.310 8.310 8.437 -0.127 17926
685 1 7 . 1 1 79 79 ASP N N 58 123.580 123.580 122.469 1.111 17926
686 1 7 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.754 0.216 17926
687 1 7 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.367 -1.327 17926
688 1 7 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.385 0.456 17926
689 1 7 . 1 1 79 79 ASP H H 58 8.600 8.600 8.282 0.318 17926
690 1 7 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.476 -0.036 17926
691 1 7 . 1 1 80 80 PRO C C 59 178.090 178.090 177.939 0.151 17926
692 1 7 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.658 -0.528 17926
693 1 7 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.738 0.472 17926
694 1 7 . 1 1 81 81 LEU N N 60 120.900 120.900 115.684 5.216 17926
695 1 7 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.905 0.435 17926
696 1 7 . 1 1 81 81 LEU C C 60 177.750 177.750 178.625 -0.875 17926
697 1 7 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.913 -1.764 17926
698 1 7 . 1 1 81 81 LEU CB C 60 41.680 41.680 40.829 0.851 17926
699 1 7 . 1 1 81 81 LEU H H 60 8.430 8.430 7.537 0.893 17926
700 1 7 . 1 1 82 82 GLU N N 61 120.390 120.390 118.709 1.681 17926
701 1 7 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.824 0.086 17926
702 1 7 . 1 1 82 82 GLU C C 61 178.630 178.630 179.203 -0.573 17926
703 1 7 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.273 0.177 17926
704 1 7 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.157 0.503 17926
705 1 7 . 1 1 82 82 GLU H H 61 7.960 7.960 8.142 -0.182 17926
706 1 7 . 1 1 83 83 GLU N N 62 118.100 118.100 119.531 -1.431 17926
707 1 7 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.074 0.046 17926
708 1 7 . 1 1 83 83 GLU C C 62 178.320 178.320 179.079 -0.759 17926
709 1 7 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.902 -2.252 17926
710 1 7 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.435 0.145 17926
711 1 7 . 1 1 83 83 GLU H H 62 8.150 8.150 8.111 0.039 17926
712 1 7 . 1 1 84 84 TYR N N 63 120.940 120.940 120.804 0.136 17926
713 1 7 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.136 0.154 17926
714 1 7 . 1 1 84 84 TYR C C 63 178.780 178.780 177.961 0.819 17926
715 1 7 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.493 0.017 17926
716 1 7 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.036 0.554 17926
717 1 7 . 1 1 84 84 TYR H H 63 8.080 8.080 7.947 0.133 17926
718 1 7 . 1 1 85 85 CYS N N 64 116.400 116.400 116.659 -0.259 17926
719 1 7 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.568 -0.028 17926
720 1 7 . 1 1 85 85 CYS C C 64 176.760 176.760 177.092 -0.332 17926
721 1 7 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.485 -6.255 17926
722 1 7 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.564 11.006 17926
723 1 7 . 1 1 85 85 CYS H H 64 8.810 8.810 7.985 0.825 17926
724 1 7 . 1 1 86 86 LYS N N 65 121.420 121.420 120.451 0.969 17926
725 1 7 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.067 0.003 17926
726 1 7 . 1 1 86 86 LYS C C 65 177.870 177.870 177.632 0.238 17926
727 1 7 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.073 -0.023 17926
728 1 7 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.137 -0.137 17926
729 1 7 . 1 1 86 86 LYS H H 65 7.700 7.700 7.553 0.147 17926
730 1 7 . 1 1 87 87 ASP N N 66 116.020 116.020 117.691 -1.671 17926
731 1 7 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.563 0.117 17926
732 1 7 . 1 1 87 87 ASP C C 66 175.740 175.740 176.780 -1.040 17926
733 1 7 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.649 -0.659 17926
734 1 7 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.933 0.037 17926
735 1 7 . 1 1 87 87 ASP H H 66 7.180 7.180 8.023 -0.843 17926
736 1 7 . 1 1 88 88 ASN N N 67 117.170 117.170 116.784 0.386 17926
737 1 7 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.153 -0.033 17926
738 1 7 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.046 0.554 17926
739 1 7 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.404 0.446 17926
740 1 7 . 1 1 88 88 ASN H H 67 7.510 7.510 8.601 -1.091 17926
741 1 7 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.596 -0.196 17926
742 1 7 . 1 1 89 89 PRO C C 68 177.710 177.710 176.765 0.945 17926
743 1 7 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.173 1.067 17926
744 1 7 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.302 -0.072 17926
745 1 7 . 1 1 90 90 GLU N N 69 117.090 117.090 117.051 0.039 17926
746 1 7 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.623 -0.233 17926
747 1 7 . 1 1 90 90 GLU C C 69 177.110 177.110 177.187 -0.077 17926
748 1 7 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.058 -1.928 17926
749 1 7 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.575 -1.725 17926
750 1 7 . 1 1 90 90 GLU H H 69 8.740 8.740 8.387 0.353 17926
751 1 7 . 1 1 91 91 THR N N 70 111.550 111.550 109.581 1.969 17926
752 1 7 . 1 1 91 91 THR HA H 70 4.530 4.530 4.481 0.050 17926
753 1 7 . 1 1 91 91 THR C C 70 176.260 176.260 174.649 1.611 17926
754 1 7 . 1 1 91 91 THR CA C 70 61.400 61.400 63.868 -2.468 17926
755 1 7 . 1 1 91 91 THR CB C 70 70.900 70.900 69.340 1.560 17926
756 1 7 . 1 1 91 91 THR H H 70 7.350 7.350 7.893 -0.543 17926
757 1 7 . 1 1 92 92 ASN N N 71 122.700 122.700 119.998 2.702 17926
758 1 7 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.482 -0.102 17926
759 1 7 . 1 1 92 92 ASN C C 71 177.720 177.720 176.553 1.167 17926
760 1 7 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.058 0.702 17926
761 1 7 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.128 0.202 17926
762 1 7 . 1 1 92 92 ASN H H 71 9.140 9.140 8.482 0.658 17926
763 1 7 . 1 1 93 93 GLU N N 72 118.080 118.080 117.590 0.490 17926
764 1 7 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.624 -0.394 17926
765 1 7 . 1 1 93 93 GLU C C 72 176.810 176.810 176.645 0.165 17926
766 1 7 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.562 2.098 17926
767 1 7 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.613 -1.793 17926
768 1 7 . 1 1 93 93 GLU H H 72 9.800 9.800 8.301 1.499 17926
769 1 7 . 1 1 94 94 CYS N N 73 117.020 117.020 119.276 -2.256 17926
770 1 7 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.937 -0.097 17926
771 1 7 . 1 1 94 94 CYS C C 73 175.280 175.280 176.203 -0.923 17926
772 1 7 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.258 -2.888 17926
773 1 7 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.924 13.686 17926
774 1 7 . 1 1 94 94 CYS H H 73 7.690 7.690 8.130 -0.440 17926
775 1 7 . 1 1 95 95 ARG N N 74 121.930 121.930 121.984 -0.054 17926
776 1 7 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.210 0.190 17926
777 1 7 . 1 1 95 95 ARG C C 74 176.500 176.500 177.122 -0.622 17926
778 1 7 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.652 -1.532 17926
779 1 7 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.374 0.386 17926
780 1 7 . 1 1 95 95 ARG H H 74 7.790 7.790 8.055 -0.265 17926
781 1 7 . 1 1 96 96 THR N N 75 113.200 113.200 113.073 0.127 17926
782 1 7 . 1 1 96 96 THR HA H 75 4.340 4.340 4.333 0.007 17926
783 1 7 . 1 1 96 96 THR C C 75 174.100 174.100 175.068 -0.968 17926
784 1 7 . 1 1 96 96 THR CA C 75 61.720 61.720 63.460 -1.740 17926
785 1 7 . 1 1 96 96 THR CB C 75 69.700 69.700 69.654 0.046 17926
786 1 7 . 1 1 96 96 THR H H 75 8.100 8.100 8.162 -0.062 17926
787 1 7 . 1 1 97 97 TYR N N 76 121.920 121.920 121.725 0.195 17926
788 1 7 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.426 0.164 17926
789 1 7 . 1 1 97 97 TYR C C 76 175.280 175.280 174.961 0.319 17926
790 1 7 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.390 -1.470 17926
791 1 7 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.534 -0.454 17926
792 1 7 . 1 1 97 97 TYR H H 76 8.060 8.060 8.040 0.020 17926
793 1 7 . 1 1 98 98 ASP N N 77 122.130 122.130 119.439 2.691 17926
794 1 7 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.826 -0.196 17926
795 1 7 . 1 1 98 98 ASP C C 77 174.820 174.820 175.307 -0.487 17926
796 1 7 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.642 0.658 17926
797 1 7 . 1 1 98 98 ASP CB C 77 41.200 41.200 43.298 -2.098 17926
798 1 7 . 1 1 98 98 ASP H H 77 8.310 8.310 8.366 -0.056 17926
799 1 8 . 1 1 79 79 ASP N N 58 123.580 123.580 122.982 0.598 17926
800 1 8 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.835 0.135 17926
801 1 8 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.997 -0.957 17926
802 1 8 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.363 0.477 17926
803 1 8 . 1 1 79 79 ASP H H 58 8.600 8.600 8.375 0.225 17926
804 1 8 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.571 -0.131 17926
805 1 8 . 1 1 80 80 PRO C C 59 178.090 178.090 177.961 0.129 17926
806 1 8 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.639 -0.509 17926
807 1 8 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.887 0.323 17926
808 1 8 . 1 1 81 81 LEU N N 60 120.900 120.900 114.897 6.003 17926
809 1 8 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.133 0.207 17926
810 1 8 . 1 1 81 81 LEU C C 60 177.750 177.750 178.575 -0.825 17926
811 1 8 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.736 -1.586 17926
812 1 8 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.095 0.585 17926
813 1 8 . 1 1 81 81 LEU H H 60 8.430 8.430 7.532 0.898 17926
814 1 8 . 1 1 82 82 GLU N N 61 120.390 120.390 120.422 -0.032 17926
815 1 8 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.896 0.014 17926
816 1 8 . 1 1 82 82 GLU C C 61 178.630 178.630 179.003 -0.373 17926
817 1 8 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.238 -0.788 17926
818 1 8 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.666 -0.006 17926
819 1 8 . 1 1 82 82 GLU H H 61 7.960 7.960 8.456 -0.496 17926
820 1 8 . 1 1 83 83 GLU N N 62 118.100 118.100 118.569 -0.469 17926
821 1 8 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.064 0.056 17926
822 1 8 . 1 1 83 83 GLU C C 62 178.320 178.320 179.212 -0.892 17926
823 1 8 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.139 -2.489 17926
824 1 8 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.380 0.200 17926
825 1 8 . 1 1 83 83 GLU H H 62 8.150 8.150 8.245 -0.095 17926
826 1 8 . 1 1 84 84 TYR N N 63 120.940 120.940 120.463 0.477 17926
827 1 8 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.203 0.087 17926
828 1 8 . 1 1 84 84 TYR C C 63 178.780 178.780 177.664 1.116 17926
829 1 8 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.865 -0.355 17926
830 1 8 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.247 0.343 17926
831 1 8 . 1 1 84 84 TYR H H 63 8.080 8.080 7.637 0.443 17926
832 1 8 . 1 1 85 85 CYS N N 64 116.400 116.400 116.302 0.098 17926
833 1 8 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.646 -0.106 17926
834 1 8 . 1 1 85 85 CYS C C 64 176.760 176.760 176.607 0.153 17926
835 1 8 . 1 1 85 85 CYS CA C 64 55.230 55.230 60.740 -5.511 17926
836 1 8 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.890 10.680 17926
837 1 8 . 1 1 85 85 CYS H H 64 8.810 8.810 7.823 0.987 17926
838 1 8 . 1 1 86 86 LYS N N 65 121.420 121.420 118.079 3.341 17926
839 1 8 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.254 -0.184 17926
840 1 8 . 1 1 86 86 LYS C C 65 177.870 177.870 177.298 0.572 17926
841 1 8 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.379 0.671 17926
842 1 8 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.732 -0.732 17926
843 1 8 . 1 1 86 86 LYS H H 65 7.700 7.700 7.370 0.330 17926
844 1 8 . 1 1 87 87 ASP N N 66 116.020 116.020 117.967 -1.947 17926
845 1 8 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.717 -0.037 17926
846 1 8 . 1 1 87 87 ASP C C 66 175.740 175.740 176.330 -0.590 17926
847 1 8 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.734 0.256 17926
848 1 8 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.975 -0.005 17926
849 1 8 . 1 1 87 87 ASP H H 66 7.180 7.180 8.157 -0.977 17926
850 1 8 . 1 1 88 88 ASN N N 67 117.170 117.170 120.074 -2.904 17926
851 1 8 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.097 0.023 17926
852 1 8 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.044 0.556 17926
853 1 8 . 1 1 88 88 ASN CB C 67 39.850 39.850 38.998 0.852 17926
854 1 8 . 1 1 88 88 ASN H H 67 7.510 7.510 8.382 -0.872 17926
855 1 8 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.108 0.292 17926
856 1 8 . 1 1 89 89 PRO C C 68 177.710 177.710 177.273 0.437 17926
857 1 8 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.760 -0.520 17926
858 1 8 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.621 0.609 17926
859 1 8 . 1 1 90 90 GLU N N 69 117.090 117.090 113.771 3.319 17926
860 1 8 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.266 0.124 17926
861 1 8 . 1 1 90 90 GLU C C 69 177.110 177.110 176.300 0.810 17926
862 1 8 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.544 -2.414 17926
863 1 8 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.027 -1.177 17926
864 1 8 . 1 1 90 90 GLU H H 69 8.740 8.740 8.587 0.153 17926
865 1 8 . 1 1 91 91 THR N N 70 111.550 111.550 110.853 0.697 17926
866 1 8 . 1 1 91 91 THR HA H 70 4.530 4.530 4.513 0.017 17926
867 1 8 . 1 1 91 91 THR C C 70 176.260 176.260 175.097 1.163 17926
868 1 8 . 1 1 91 91 THR CA C 70 61.400 61.400 62.596 -1.196 17926
869 1 8 . 1 1 91 91 THR CB C 70 70.900 70.900 69.376 1.524 17926
870 1 8 . 1 1 91 91 THR H H 70 7.350 7.350 7.240 0.110 17926
871 1 8 . 1 1 92 92 ASN N N 71 122.700 122.700 121.348 1.352 17926
872 1 8 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.645 -0.265 17926
873 1 8 . 1 1 92 92 ASN C C 71 177.720 177.720 176.665 1.055 17926
874 1 8 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.145 1.615 17926
875 1 8 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.963 -0.633 17926
876 1 8 . 1 1 92 92 ASN H H 71 9.140 9.140 9.002 0.138 17926
877 1 8 . 1 1 93 93 GLU N N 72 118.080 118.080 117.636 0.444 17926
878 1 8 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.492 -0.262 17926
879 1 8 . 1 1 93 93 GLU C C 72 176.810 176.810 177.643 -0.833 17926
880 1 8 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.875 1.785 17926
881 1 8 . 1 1 93 93 GLU CB C 72 28.820 28.820 28.971 -0.151 17926
882 1 8 . 1 1 93 93 GLU H H 72 9.800 9.800 7.822 1.978 17926
883 1 8 . 1 1 94 94 CYS N N 73 117.020 117.020 119.355 -2.335 17926
884 1 8 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.284 0.556 17926
885 1 8 . 1 1 94 94 CYS C C 73 175.280 175.280 176.162 -0.882 17926
886 1 8 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.880 -5.510 17926
887 1 8 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.166 13.444 17926
888 1 8 . 1 1 94 94 CYS H H 73 7.690 7.690 8.469 -0.779 17926
889 1 8 . 1 1 95 95 ARG N N 74 121.930 121.930 121.168 0.762 17926
890 1 8 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.225 0.175 17926
891 1 8 . 1 1 95 95 ARG C C 74 176.500 176.500 176.377 0.123 17926
892 1 8 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.744 -0.624 17926
893 1 8 . 1 1 95 95 ARG CB C 74 30.760 30.760 29.821 0.939 17926
894 1 8 . 1 1 95 95 ARG H H 74 7.790 7.790 8.133 -0.343 17926
895 1 8 . 1 1 96 96 THR N N 75 113.200 113.200 113.955 -0.755 17926
896 1 8 . 1 1 96 96 THR HA H 75 4.340 4.340 4.514 -0.174 17926
897 1 8 . 1 1 96 96 THR C C 75 174.100 174.100 173.369 0.731 17926
898 1 8 . 1 1 96 96 THR CA C 75 61.720 61.720 61.010 0.710 17926
899 1 8 . 1 1 96 96 THR CB C 75 69.700 69.700 70.201 -0.501 17926
900 1 8 . 1 1 96 96 THR H H 75 8.100 8.100 7.757 0.343 17926
901 1 8 . 1 1 97 97 TYR N N 76 121.920 121.920 119.210 2.710 17926
902 1 8 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.492 0.098 17926
903 1 8 . 1 1 97 97 TYR C C 76 175.280 175.280 175.405 -0.125 17926
904 1 8 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.799 -1.879 17926
905 1 8 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.755 -0.675 17926
906 1 8 . 1 1 97 97 TYR H H 76 8.060 8.060 8.323 -0.263 17926
907 1 8 . 1 1 98 98 ASP N N 77 122.130 122.130 120.947 1.183 17926
908 1 8 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.654 -0.024 17926
909 1 8 . 1 1 98 98 ASP C C 77 174.820 174.820 175.356 -0.536 17926
910 1 8 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.741 -0.441 17926
911 1 8 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.446 -0.246 17926
912 1 8 . 1 1 98 98 ASP H H 77 8.310 8.310 8.331 -0.021 17926
913 1 9 . 1 1 79 79 ASP N N 58 123.580 123.580 122.975 0.605 17926
914 1 9 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.828 0.142 17926
915 1 9 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.224 -1.183 17926
916 1 9 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.460 0.380 17926
917 1 9 . 1 1 79 79 ASP H H 58 8.600 8.600 8.482 0.118 17926
918 1 9 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.300 0.140 17926
919 1 9 . 1 1 80 80 PRO C C 59 178.090 178.090 177.432 0.658 17926
920 1 9 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.803 -0.673 17926
921 1 9 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.766 0.444 17926
922 1 9 . 1 1 81 81 LEU N N 60 120.900 120.900 115.693 5.207 17926
923 1 9 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.166 0.174 17926
924 1 9 . 1 1 81 81 LEU C C 60 177.750 177.750 178.613 -0.863 17926
925 1 9 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.995 -1.845 17926
926 1 9 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.042 0.638 17926
927 1 9 . 1 1 81 81 LEU H H 60 8.430 8.430 7.532 0.898 17926
928 1 9 . 1 1 82 82 GLU N N 61 120.390 120.390 120.455 -0.065 17926
929 1 9 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.925 -0.015 17926
930 1 9 . 1 1 82 82 GLU C C 61 178.630 178.630 178.990 -0.360 17926
931 1 9 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.881 -0.431 17926
932 1 9 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.527 0.133 17926
933 1 9 . 1 1 82 82 GLU H H 61 7.960 7.960 8.070 -0.110 17926
934 1 9 . 1 1 83 83 GLU N N 62 118.100 118.100 118.399 -0.299 17926
935 1 9 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.007 0.113 17926
936 1 9 . 1 1 83 83 GLU C C 62 178.320 178.320 179.071 -0.751 17926
937 1 9 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.440 -2.790 17926
938 1 9 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.574 0.006 17926
939 1 9 . 1 1 83 83 GLU H H 62 8.150 8.150 7.901 0.249 17926
940 1 9 . 1 1 84 84 TYR N N 63 120.940 120.940 120.527 0.413 17926
941 1 9 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.217 0.073 17926
942 1 9 . 1 1 84 84 TYR C C 63 178.780 178.780 177.701 1.079 17926
943 1 9 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.656 -0.146 17926
944 1 9 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.163 0.427 17926
945 1 9 . 1 1 84 84 TYR H H 63 8.080 8.080 7.494 0.586 17926
946 1 9 . 1 1 85 85 CYS N N 64 116.400 116.400 117.218 -0.818 17926
947 1 9 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.450 0.090 17926
948 1 9 . 1 1 85 85 CYS C C 64 176.760 176.760 177.591 -0.831 17926
949 1 9 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.245 -6.015 17926
950 1 9 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.523 11.047 17926
951 1 9 . 1 1 85 85 CYS H H 64 8.810 8.810 8.091 0.719 17926
952 1 9 . 1 1 86 86 LYS N N 65 121.420 121.420 120.401 1.019 17926
953 1 9 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.222 -0.152 17926
954 1 9 . 1 1 86 86 LYS C C 65 177.870 177.870 177.282 0.588 17926
955 1 9 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.852 0.198 17926
956 1 9 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.415 -0.415 17926
957 1 9 . 1 1 86 86 LYS H H 65 7.700 7.700 7.516 0.184 17926
958 1 9 . 1 1 87 87 ASP N N 66 116.020 116.020 118.085 -2.065 17926
959 1 9 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.721 -0.041 17926
960 1 9 . 1 1 87 87 ASP C C 66 175.740 175.740 176.078 -0.338 17926
961 1 9 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.331 0.659 17926
962 1 9 . 1 1 87 87 ASP CB C 66 41.970 41.970 42.028 -0.058 17926
963 1 9 . 1 1 87 87 ASP H H 66 7.180 7.180 8.232 -1.052 17926
964 1 9 . 1 1 88 88 ASN N N 67 117.170 117.170 119.808 -2.638 17926
965 1 9 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.074 0.046 17926
966 1 9 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.214 0.386 17926
967 1 9 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.238 0.612 17926
968 1 9 . 1 1 88 88 ASN H H 67 7.510 7.510 8.377 -0.867 17926
969 1 9 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.159 0.241 17926
970 1 9 . 1 1 89 89 PRO C C 68 177.710 177.710 177.365 0.345 17926
971 1 9 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.730 -0.490 17926
972 1 9 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.745 0.485 17926
973 1 9 . 1 1 90 90 GLU N N 69 117.090 117.090 113.903 3.187 17926
974 1 9 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.291 0.099 17926
975 1 9 . 1 1 90 90 GLU C C 69 177.110 177.110 176.212 0.898 17926
976 1 9 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.453 -2.323 17926
977 1 9 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.753 -0.903 17926
978 1 9 . 1 1 90 90 GLU H H 69 8.740 8.740 8.597 0.143 17926
979 1 9 . 1 1 91 91 THR N N 70 111.550 111.550 110.131 1.419 17926
980 1 9 . 1 1 91 91 THR HA H 70 4.530 4.530 4.443 0.087 17926
981 1 9 . 1 1 91 91 THR C C 70 176.260 176.260 175.213 1.047 17926
982 1 9 . 1 1 91 91 THR CA C 70 61.400 61.400 62.318 -0.918 17926
983 1 9 . 1 1 91 91 THR CB C 70 70.900 70.900 68.441 2.459 17926
984 1 9 . 1 1 91 91 THR H H 70 7.350 7.350 7.721 -0.371 17926
985 1 9 . 1 1 92 92 ASN N N 71 122.700 122.700 121.086 1.614 17926
986 1 9 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.763 -0.383 17926
987 1 9 . 1 1 92 92 ASN C C 71 177.720 177.720 176.615 1.105 17926
988 1 9 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.683 2.077 17926
989 1 9 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.181 -0.851 17926
990 1 9 . 1 1 92 92 ASN H H 71 9.140 9.140 8.928 0.212 17926
991 1 9 . 1 1 93 93 GLU N N 72 118.080 118.080 117.307 0.773 17926
992 1 9 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.664 -0.434 17926
993 1 9 . 1 1 93 93 GLU C C 72 176.810 176.810 177.524 -0.714 17926
994 1 9 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.956 1.704 17926
995 1 9 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.485 -0.665 17926
996 1 9 . 1 1 93 93 GLU H H 72 9.800 9.800 7.821 1.979 17926
997 1 9 . 1 1 94 94 CYS N N 73 117.020 117.020 119.335 -2.315 17926
998 1 9 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.293 0.546 17926
999 1 9 . 1 1 94 94 CYS C C 73 175.280 175.280 175.688 -0.408 17926
1000 1 9 . 1 1 94 94 CYS CA C 73 55.370 55.370 61.271 -5.901 17926
1001 1 9 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.101 13.509 17926
1002 1 9 . 1 1 94 94 CYS H H 73 7.690 7.690 8.514 -0.824 17926
1003 1 9 . 1 1 95 95 ARG N N 74 121.930 121.930 119.677 2.253 17926
1004 1 9 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.430 -0.030 17926
1005 1 9 . 1 1 95 95 ARG C C 74 176.500 176.500 177.643 -1.143 17926
1006 1 9 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.291 -0.171 17926
1007 1 9 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.699 0.061 17926
1008 1 9 . 1 1 95 95 ARG H H 74 7.790 7.790 7.723 0.067 17926
1009 1 9 . 1 1 96 96 THR N N 75 113.200 113.200 116.087 -2.887 17926
1010 1 9 . 1 1 96 96 THR HA H 75 4.340 4.340 4.184 0.156 17926
1011 1 9 . 1 1 96 96 THR C C 75 174.100 174.100 175.583 -1.483 17926
1012 1 9 . 1 1 96 96 THR CA C 75 61.720 61.720 65.595 -3.875 17926
1013 1 9 . 1 1 96 96 THR CB C 75 69.700 69.700 69.149 0.551 17926
1014 1 9 . 1 1 96 96 THR H H 75 8.100 8.100 7.801 0.299 17926
1015 1 9 . 1 1 97 97 TYR N N 76 121.920 121.920 121.775 0.145 17926
1016 1 9 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.271 0.319 17926
1017 1 9 . 1 1 97 97 TYR C C 76 175.280 175.280 174.879 0.401 17926
1018 1 9 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.494 -1.574 17926
1019 1 9 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.131 -0.051 17926
1020 1 9 . 1 1 97 97 TYR H H 76 8.060 8.060 7.968 0.092 17926
1021 1 9 . 1 1 98 98 ASP N N 77 122.130 122.130 118.585 3.545 17926
1022 1 9 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.620 0.010 17926
1023 1 9 . 1 1 98 98 ASP C C 77 174.820 174.820 175.470 -0.650 17926
1024 1 9 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.485 0.815 17926
1025 1 9 . 1 1 98 98 ASP CB C 77 41.200 41.200 42.255 -1.055 17926
1026 1 9 . 1 1 98 98 ASP H H 77 8.310 8.310 7.821 0.489 17926
1027 1 10 . 1 1 79 79 ASP N N 58 123.580 123.580 122.617 0.963 17926
1028 1 10 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.849 0.121 17926
1029 1 10 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.230 -1.190 17926
1030 1 10 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.503 0.337 17926
1031 1 10 . 1 1 79 79 ASP H H 58 8.600 8.600 8.294 0.306 17926
1032 1 10 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.244 0.196 17926
1033 1 10 . 1 1 80 80 PRO C C 59 178.090 178.090 177.714 0.376 17926
1034 1 10 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.721 -0.591 17926
1035 1 10 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.928 0.282 17926
1036 1 10 . 1 1 81 81 LEU N N 60 120.900 120.900 118.857 2.043 17926
1037 1 10 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.101 0.239 17926
1038 1 10 . 1 1 81 81 LEU C C 60 177.750 177.750 178.025 -0.275 17926
1039 1 10 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.388 -1.238 17926
1040 1 10 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.622 0.058 17926
1041 1 10 . 1 1 81 81 LEU H H 60 8.430 8.430 7.817 0.613 17926
1042 1 10 . 1 1 82 82 GLU N N 61 120.390 120.390 119.379 1.011 17926
1043 1 10 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.951 -0.041 17926
1044 1 10 . 1 1 82 82 GLU C C 61 178.630 178.630 178.985 -0.355 17926
1045 1 10 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.624 -0.174 17926
1046 1 10 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.361 0.299 17926
1047 1 10 . 1 1 82 82 GLU H H 61 7.960 7.960 8.317 -0.357 17926
1048 1 10 . 1 1 83 83 GLU N N 62 118.100 118.100 118.807 -0.707 17926
1049 1 10 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.011 0.109 17926
1050 1 10 . 1 1 83 83 GLU C C 62 178.320 178.320 178.951 -0.631 17926
1051 1 10 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.770 -2.120 17926
1052 1 10 . 1 1 83 83 GLU CB C 62 29.580 29.580 28.676 0.904 17926
1053 1 10 . 1 1 83 83 GLU H H 62 8.150 8.150 8.559 -0.409 17926
1054 1 10 . 1 1 84 84 TYR N N 63 120.940 120.940 120.304 0.636 17926
1055 1 10 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.173 0.117 17926
1056 1 10 . 1 1 84 84 TYR C C 63 178.780 178.780 177.749 1.031 17926
1057 1 10 . 1 1 84 84 TYR CA C 63 61.510 61.510 62.057 -0.547 17926
1058 1 10 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.317 0.273 17926
1059 1 10 . 1 1 84 84 TYR H H 63 8.080 8.080 7.552 0.528 17926
1060 1 10 . 1 1 85 85 CYS N N 64 116.400 116.400 118.340 -1.940 17926
1061 1 10 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.316 0.224 17926
1062 1 10 . 1 1 85 85 CYS C C 64 176.760 176.760 176.693 0.067 17926
1063 1 10 . 1 1 85 85 CYS CA C 64 55.230 55.230 60.959 -5.729 17926
1064 1 10 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.540 11.030 17926
1065 1 10 . 1 1 85 85 CYS H H 64 8.810 8.810 8.017 0.793 17926
1066 1 10 . 1 1 86 86 LYS N N 65 121.420 121.420 120.046 1.374 17926
1067 1 10 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.064 0.006 17926
1068 1 10 . 1 1 86 86 LYS C C 65 177.870 177.870 177.923 -0.053 17926
1069 1 10 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.111 -0.061 17926
1070 1 10 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.120 -0.120 17926
1071 1 10 . 1 1 86 86 LYS H H 65 7.700 7.700 7.504 0.196 17926
1072 1 10 . 1 1 87 87 ASP N N 66 116.020 116.020 117.995 -1.975 17926
1073 1 10 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.523 0.157 17926
1074 1 10 . 1 1 87 87 ASP C C 66 175.740 175.740 176.813 -1.073 17926
1075 1 10 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.891 -0.901 17926
1076 1 10 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.645 0.325 17926
1077 1 10 . 1 1 87 87 ASP H H 66 7.180 7.180 7.949 -0.769 17926
1078 1 10 . 1 1 88 88 ASN N N 67 117.170 117.170 118.078 -0.908 17926
1079 1 10 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.218 -0.098 17926
1080 1 10 . 1 1 88 88 ASN CA C 67 51.600 51.600 50.881 0.719 17926
1081 1 10 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.212 0.638 17926
1082 1 10 . 1 1 88 88 ASN H H 67 7.510 7.510 8.567 -1.057 17926
1083 1 10 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.472 -0.072 17926
1084 1 10 . 1 1 89 89 PRO C C 68 177.710 177.710 177.355 0.355 17926
1085 1 10 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.463 -0.223 17926
1086 1 10 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.030 0.200 17926
1087 1 10 . 1 1 90 90 GLU N N 69 117.090 117.090 114.150 2.940 17926
1088 1 10 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.321 0.069 17926
1089 1 10 . 1 1 90 90 GLU C C 69 177.110 177.110 176.679 0.431 17926
1090 1 10 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.564 -1.434 17926
1091 1 10 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.210 -1.360 17926
1092 1 10 . 1 1 90 90 GLU H H 69 8.740 8.740 8.355 0.385 17926
1093 1 10 . 1 1 91 91 THR N N 70 111.550 111.550 109.322 2.228 17926
1094 1 10 . 1 1 91 91 THR HA H 70 4.530 4.530 4.243 0.287 17926
1095 1 10 . 1 1 91 91 THR C C 70 176.260 176.260 174.183 2.077 17926
1096 1 10 . 1 1 91 91 THR CA C 70 61.400 61.400 63.222 -1.822 17926
1097 1 10 . 1 1 91 91 THR CB C 70 70.900 70.900 69.343 1.557 17926
1098 1 10 . 1 1 91 91 THR H H 70 7.350 7.350 7.837 -0.487 17926
1099 1 10 . 1 1 92 92 ASN N N 71 122.700 122.700 118.874 3.826 17926
1100 1 10 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.382 -0.002 17926
1101 1 10 . 1 1 92 92 ASN C C 71 177.720 177.720 176.312 1.408 17926
1102 1 10 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.401 0.359 17926
1103 1 10 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.141 0.189 17926
1104 1 10 . 1 1 92 92 ASN H H 71 9.140 9.140 8.410 0.730 17926
1105 1 10 . 1 1 93 93 GLU N N 72 118.080 118.080 116.687 1.393 17926
1106 1 10 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.438 -0.208 17926
1107 1 10 . 1 1 93 93 GLU C C 72 176.810 176.810 176.438 0.372 17926
1108 1 10 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.417 2.243 17926
1109 1 10 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.193 -1.373 17926
1110 1 10 . 1 1 93 93 GLU H H 72 9.800 9.800 8.083 1.717 17926
1111 1 10 . 1 1 94 94 CYS N N 73 117.020 117.020 117.723 -0.703 17926
1112 1 10 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.490 0.350 17926
1113 1 10 . 1 1 94 94 CYS C C 73 175.280 175.280 175.614 -0.334 17926
1114 1 10 . 1 1 94 94 CYS CA C 73 55.370 55.370 59.791 -4.421 17926
1115 1 10 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.285 13.325 17926
1116 1 10 . 1 1 94 94 CYS H H 73 7.690 7.690 8.280 -0.590 17926
1117 1 10 . 1 1 95 95 ARG N N 74 121.930 121.930 119.755 2.175 17926
1118 1 10 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.354 0.046 17926
1119 1 10 . 1 1 95 95 ARG C C 74 176.500 176.500 175.880 0.620 17926
1120 1 10 . 1 1 95 95 ARG CA C 74 57.120 57.120 56.824 0.296 17926
1121 1 10 . 1 1 95 95 ARG CB C 74 30.760 30.760 32.322 -1.562 17926
1122 1 10 . 1 1 95 95 ARG H H 74 7.790 7.790 8.322 -0.532 17926
1123 1 10 . 1 1 96 96 THR N N 75 113.200 113.200 112.085 1.115 17926
1124 1 10 . 1 1 96 96 THR HA H 75 4.340 4.340 4.569 -0.229 17926
1125 1 10 . 1 1 96 96 THR C C 75 174.100 174.100 173.239 0.861 17926
1126 1 10 . 1 1 96 96 THR CA C 75 61.720 61.720 61.159 0.561 17926
1127 1 10 . 1 1 96 96 THR CB C 75 69.700 69.700 70.343 -0.643 17926
1128 1 10 . 1 1 96 96 THR H H 75 8.100 8.100 7.549 0.551 17926
1129 1 10 . 1 1 97 97 TYR N N 76 121.920 121.920 122.169 -0.249 17926
1130 1 10 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.092 0.498 17926
1131 1 10 . 1 1 97 97 TYR C C 76 175.280 175.280 176.283 -1.003 17926
1132 1 10 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.784 -2.864 17926
1133 1 10 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.639 0.441 17926
1134 1 10 . 1 1 97 97 TYR H H 76 8.060 8.060 8.572 -0.512 17926
1135 1 10 . 1 1 98 98 ASP N N 77 122.130 122.130 117.385 4.745 17926
1136 1 10 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.374 0.256 17926
1137 1 10 . 1 1 98 98 ASP C C 77 174.820 174.820 174.655 0.165 17926
1138 1 10 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.582 -0.282 17926
1139 1 10 . 1 1 98 98 ASP CB C 77 41.200 41.200 40.938 0.262 17926
1140 1 10 . 1 1 98 98 ASP H H 77 8.310 8.310 8.000 0.310 17926
1141 1 11 . 1 1 79 79 ASP N N 58 123.580 123.580 122.302 1.278 17926
1142 1 11 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.830 0.140 17926
1143 1 11 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.062 -1.022 17926
1144 1 11 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.339 0.501 17926
1145 1 11 . 1 1 79 79 ASP H H 58 8.600 8.600 8.503 0.097 17926
1146 1 11 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.320 0.120 17926
1147 1 11 . 1 1 80 80 PRO C C 59 178.090 178.090 177.870 0.220 17926
1148 1 11 . 1 1 80 80 PRO CA C 59 64.130 64.130 65.020 -0.890 17926
1149 1 11 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.924 0.286 17926
1150 1 11 . 1 1 81 81 LEU N N 60 120.900 120.900 118.184 2.716 17926
1151 1 11 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.029 0.311 17926
1152 1 11 . 1 1 81 81 LEU C C 60 177.750 177.750 178.113 -0.363 17926
1153 1 11 . 1 1 81 81 LEU CA C 60 56.150 56.150 58.045 -1.895 17926
1154 1 11 . 1 1 81 81 LEU CB C 60 41.680 41.680 42.181 -0.501 17926
1155 1 11 . 1 1 81 81 LEU H H 60 8.430 8.430 7.611 0.819 17926
1156 1 11 . 1 1 82 82 GLU N N 61 120.390 120.390 119.597 0.793 17926
1157 1 11 . 1 1 82 82 GLU HA H 61 3.910 3.910 4.012 -0.102 17926
1158 1 11 . 1 1 82 82 GLU C C 61 178.630 178.630 179.091 -0.461 17926
1159 1 11 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.173 0.277 17926
1160 1 11 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.324 0.336 17926
1161 1 11 . 1 1 82 82 GLU H H 61 7.960 7.960 7.904 0.056 17926
1162 1 11 . 1 1 83 83 GLU N N 62 118.100 118.100 118.476 -0.376 17926
1163 1 11 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.048 0.072 17926
1164 1 11 . 1 1 83 83 GLU C C 62 178.320 178.320 178.923 -0.603 17926
1165 1 11 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.133 -2.483 17926
1166 1 11 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.503 0.077 17926
1167 1 11 . 1 1 83 83 GLU H H 62 8.150 8.150 7.802 0.348 17926
1168 1 11 . 1 1 84 84 TYR N N 63 120.940 120.940 120.819 0.121 17926
1169 1 11 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.202 0.088 17926
1170 1 11 . 1 1 84 84 TYR C C 63 178.780 178.780 177.907 0.873 17926
1171 1 11 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.756 -0.246 17926
1172 1 11 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.175 0.415 17926
1173 1 11 . 1 1 84 84 TYR H H 63 8.080 8.080 7.621 0.459 17926
1174 1 11 . 1 1 85 85 CYS N N 64 116.400 116.400 116.271 0.129 17926
1175 1 11 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.393 0.147 17926
1176 1 11 . 1 1 85 85 CYS C C 64 176.760 176.760 177.326 -0.566 17926
1177 1 11 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.934 -6.704 17926
1178 1 11 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.320 11.250 17926
1179 1 11 . 1 1 85 85 CYS H H 64 8.810 8.810 8.140 0.670 17926
1180 1 11 . 1 1 86 86 LYS N N 65 121.420 121.420 120.297 1.123 17926
1181 1 11 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.173 -0.103 17926
1182 1 11 . 1 1 86 86 LYS C C 65 177.870 177.870 177.307 0.563 17926
1183 1 11 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.889 0.161 17926
1184 1 11 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.358 -0.358 17926
1185 1 11 . 1 1 86 86 LYS H H 65 7.700 7.700 7.478 0.222 17926
1186 1 11 . 1 1 87 87 ASP N N 66 116.020 116.020 118.308 -2.288 17926
1187 1 11 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.748 -0.068 17926
1188 1 11 . 1 1 87 87 ASP C C 66 175.740 175.740 176.117 -0.377 17926
1189 1 11 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.367 0.624 17926
1190 1 11 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.739 0.231 17926
1191 1 11 . 1 1 87 87 ASP H H 66 7.180 7.180 8.177 -0.997 17926
1192 1 11 . 1 1 88 88 ASN N N 67 117.170 117.170 119.831 -2.661 17926
1193 1 11 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.082 0.038 17926
1194 1 11 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.224 0.376 17926
1195 1 11 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.263 0.587 17926
1196 1 11 . 1 1 88 88 ASN H H 67 7.510 7.510 8.384 -0.874 17926
1197 1 11 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.148 0.252 17926
1198 1 11 . 1 1 89 89 PRO C C 68 177.710 177.710 177.245 0.465 17926
1199 1 11 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.669 -0.429 17926
1200 1 11 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.644 0.586 17926
1201 1 11 . 1 1 90 90 GLU N N 69 117.090 117.090 114.367 2.723 17926
1202 1 11 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.326 0.064 17926
1203 1 11 . 1 1 90 90 GLU C C 69 177.110 177.110 176.510 0.600 17926
1204 1 11 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.384 -2.254 17926
1205 1 11 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.173 -1.323 17926
1206 1 11 . 1 1 90 90 GLU H H 69 8.740 8.740 8.649 0.091 17926
1207 1 11 . 1 1 91 91 THR N N 70 111.550 111.550 110.619 0.931 17926
1208 1 11 . 1 1 91 91 THR HA H 70 4.530 4.530 4.454 0.076 17926
1209 1 11 . 1 1 91 91 THR C C 70 176.260 176.260 175.291 0.969 17926
1210 1 11 . 1 1 91 91 THR CA C 70 61.400 61.400 63.115 -1.715 17926
1211 1 11 . 1 1 91 91 THR CB C 70 70.900 70.900 69.103 1.797 17926
1212 1 11 . 1 1 91 91 THR H H 70 7.350 7.350 7.865 -0.515 17926
1213 1 11 . 1 1 92 92 ASN N N 71 122.700 122.700 121.117 1.583 17926
1214 1 11 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.903 -0.523 17926
1215 1 11 . 1 1 92 92 ASN C C 71 177.720 177.720 176.894 0.826 17926
1216 1 11 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.693 2.067 17926
1217 1 11 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.357 -1.027 17926
1218 1 11 . 1 1 92 92 ASN H H 71 9.140 9.140 8.984 0.156 17926
1219 1 11 . 1 1 93 93 GLU N N 72 118.080 118.080 117.318 0.762 17926
1220 1 11 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.631 -0.401 17926
1221 1 11 . 1 1 93 93 GLU C C 72 176.810 176.810 177.318 -0.508 17926
1222 1 11 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.906 1.754 17926
1223 1 11 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.491 -0.671 17926
1224 1 11 . 1 1 93 93 GLU H H 72 9.800 9.800 7.913 1.887 17926
1225 1 11 . 1 1 94 94 CYS N N 73 117.020 117.020 117.026 -0.006 17926
1226 1 11 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.244 0.596 17926
1227 1 11 . 1 1 94 94 CYS C C 73 175.280 175.280 176.151 -0.871 17926
1228 1 11 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.212 -4.842 17926
1229 1 11 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.295 13.315 17926
1230 1 11 . 1 1 94 94 CYS H H 73 7.690 7.690 8.503 -0.813 17926
1231 1 11 . 1 1 95 95 ARG N N 74 121.930 121.930 117.999 3.931 17926
1232 1 11 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.312 0.088 17926
1233 1 11 . 1 1 95 95 ARG C C 74 176.500 176.500 177.111 -0.611 17926
1234 1 11 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.973 -0.853 17926
1235 1 11 . 1 1 95 95 ARG CB C 74 30.760 30.760 29.790 0.970 17926
1236 1 11 . 1 1 95 95 ARG H H 74 7.790 7.790 8.137 -0.347 17926
1237 1 11 . 1 1 96 96 THR N N 75 113.200 113.200 115.076 -1.876 17926
1238 1 11 . 1 1 96 96 THR HA H 75 4.340 4.340 4.176 0.164 17926
1239 1 11 . 1 1 96 96 THR C C 75 174.100 174.100 175.042 -0.942 17926
1240 1 11 . 1 1 96 96 THR CA C 75 61.720 61.720 64.219 -2.499 17926
1241 1 11 . 1 1 96 96 THR CB C 75 69.700 69.700 68.894 0.806 17926
1242 1 11 . 1 1 96 96 THR H H 75 8.100 8.100 7.355 0.745 17926
1243 1 11 . 1 1 97 97 TYR N N 76 121.920 121.920 121.231 0.689 17926
1244 1 11 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.351 0.239 17926
1245 1 11 . 1 1 97 97 TYR C C 76 175.280 175.280 174.639 0.641 17926
1246 1 11 . 1 1 97 97 TYR CA C 76 57.920 57.920 58.729 -0.809 17926
1247 1 11 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.439 -0.359 17926
1248 1 11 . 1 1 97 97 TYR H H 76 8.060 8.060 8.131 -0.071 17926
1249 1 11 . 1 1 98 98 ASP N N 77 122.130 122.130 117.643 4.487 17926
1250 1 11 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.720 -0.090 17926
1251 1 11 . 1 1 98 98 ASP C C 77 174.820 174.820 174.638 0.182 17926
1252 1 11 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.782 0.518 17926
1253 1 11 . 1 1 98 98 ASP CB C 77 41.200 41.200 43.285 -2.084 17926
1254 1 11 . 1 1 98 98 ASP H H 77 8.310 8.310 8.257 0.053 17926
1255 1 12 . 1 1 79 79 ASP N N 58 123.580 123.580 122.521 1.059 17926
1256 1 12 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.800 0.170 17926
1257 1 12 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.187 -1.147 17926
1258 1 12 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.370 0.470 17926
1259 1 12 . 1 1 79 79 ASP H H 58 8.600 8.600 8.298 0.302 17926
1260 1 12 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.296 0.144 17926
1261 1 12 . 1 1 80 80 PRO C C 59 178.090 178.090 177.821 0.269 17926
1262 1 12 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.786 -0.656 17926
1263 1 12 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.680 0.530 17926
1264 1 12 . 1 1 81 81 LEU N N 60 120.900 120.900 116.231 4.669 17926
1265 1 12 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.000 0.340 17926
1266 1 12 . 1 1 81 81 LEU C C 60 177.750 177.750 178.715 -0.965 17926
1267 1 12 . 1 1 81 81 LEU CA C 60 56.150 56.150 58.029 -1.879 17926
1268 1 12 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.080 0.601 17926
1269 1 12 . 1 1 81 81 LEU H H 60 8.430 8.430 7.584 0.846 17926
1270 1 12 . 1 1 82 82 GLU N N 61 120.390 120.390 119.954 0.436 17926
1271 1 12 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.927 -0.017 17926
1272 1 12 . 1 1 82 82 GLU C C 61 178.630 178.630 178.732 -0.102 17926
1273 1 12 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.620 -0.169 17926
1274 1 12 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.639 0.021 17926
1275 1 12 . 1 1 82 82 GLU H H 61 7.960 7.960 8.125 -0.165 17926
1276 1 12 . 1 1 83 83 GLU N N 62 118.100 118.100 119.482 -1.382 17926
1277 1 12 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.022 0.098 17926
1278 1 12 . 1 1 83 83 GLU C C 62 178.320 178.320 179.157 -0.837 17926
1279 1 12 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.121 -2.471 17926
1280 1 12 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.533 0.047 17926
1281 1 12 . 1 1 83 83 GLU H H 62 8.150 8.150 8.122 0.028 17926
1282 1 12 . 1 1 84 84 TYR N N 63 120.940 120.940 120.725 0.215 17926
1283 1 12 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.171 0.119 17926
1284 1 12 . 1 1 84 84 TYR C C 63 178.780 178.780 177.915 0.865 17926
1285 1 12 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.779 -0.269 17926
1286 1 12 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.195 0.395 17926
1287 1 12 . 1 1 84 84 TYR H H 63 8.080 8.080 7.965 0.115 17926
1288 1 12 . 1 1 85 85 CYS N N 64 116.400 116.400 116.382 0.018 17926
1289 1 12 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.360 0.180 17926
1290 1 12 . 1 1 85 85 CYS C C 64 176.760 176.760 177.434 -0.674 17926
1291 1 12 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.003 -6.773 17926
1292 1 12 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.373 11.197 17926
1293 1 12 . 1 1 85 85 CYS H H 64 8.810 8.810 8.068 0.742 17926
1294 1 12 . 1 1 86 86 LYS N N 65 121.420 121.420 120.092 1.328 17926
1295 1 12 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.176 -0.106 17926
1296 1 12 . 1 1 86 86 LYS C C 65 177.870 177.870 177.222 0.648 17926
1297 1 12 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.870 0.180 17926
1298 1 12 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.525 -0.525 17926
1299 1 12 . 1 1 86 86 LYS H H 65 7.700 7.700 7.556 0.144 17926
1300 1 12 . 1 1 87 87 ASP N N 66 116.020 116.020 117.753 -1.733 17926
1301 1 12 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.729 -0.049 17926
1302 1 12 . 1 1 87 87 ASP C C 66 175.740 175.740 176.026 -0.286 17926
1303 1 12 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.284 0.706 17926
1304 1 12 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.911 0.059 17926
1305 1 12 . 1 1 87 87 ASP H H 66 7.180 7.180 8.168 -0.988 17926
1306 1 12 . 1 1 88 88 ASN N N 67 117.170 117.170 119.748 -2.578 17926
1307 1 12 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.067 0.053 17926
1308 1 12 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.189 0.411 17926
1309 1 12 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.247 0.603 17926
1310 1 12 . 1 1 88 88 ASN H H 67 7.510 7.510 8.353 -0.843 17926
1311 1 12 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.157 0.243 17926
1312 1 12 . 1 1 89 89 PRO C C 68 177.710 177.710 176.896 0.814 17926
1313 1 12 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.611 -0.371 17926
1314 1 12 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.629 0.601 17926
1315 1 12 . 1 1 90 90 GLU N N 69 117.090 117.090 114.290 2.800 17926
1316 1 12 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.344 0.046 17926
1317 1 12 . 1 1 90 90 GLU C C 69 177.110 177.110 176.643 0.467 17926
1318 1 12 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.298 -2.168 17926
1319 1 12 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.770 -0.920 17926
1320 1 12 . 1 1 90 90 GLU H H 69 8.740 8.740 8.660 0.080 17926
1321 1 12 . 1 1 91 91 THR N N 70 111.550 111.550 110.807 0.743 17926
1322 1 12 . 1 1 91 91 THR HA H 70 4.530 4.530 4.378 0.152 17926
1323 1 12 . 1 1 91 91 THR C C 70 176.260 176.260 175.195 1.065 17926
1324 1 12 . 1 1 91 91 THR CA C 70 61.400 61.400 63.455 -2.055 17926
1325 1 12 . 1 1 91 91 THR CB C 70 70.900 70.900 68.979 1.921 17926
1326 1 12 . 1 1 91 91 THR H H 70 7.350 7.350 7.828 -0.478 17926
1327 1 12 . 1 1 92 92 ASN N N 71 122.700 122.700 120.905 1.795 17926
1328 1 12 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.884 -0.504 17926
1329 1 12 . 1 1 92 92 ASN C C 71 177.720 177.720 176.750 0.970 17926
1330 1 12 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.563 2.197 17926
1331 1 12 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.284 -0.954 17926
1332 1 12 . 1 1 92 92 ASN H H 71 9.140 9.140 8.924 0.216 17926
1333 1 12 . 1 1 93 93 GLU N N 72 118.080 118.080 117.527 0.553 17926
1334 1 12 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.507 -0.277 17926
1335 1 12 . 1 1 93 93 GLU C C 72 176.810 176.810 177.642 -0.832 17926
1336 1 12 . 1 1 93 93 GLU CA C 72 58.660 58.660 57.209 1.451 17926
1337 1 12 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.352 -0.532 17926
1338 1 12 . 1 1 93 93 GLU H H 72 9.800 9.800 7.884 1.916 17926
1339 1 12 . 1 1 94 94 CYS N N 73 117.020 117.020 117.384 -0.364 17926
1340 1 12 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.290 0.550 17926
1341 1 12 . 1 1 94 94 CYS C C 73 175.280 175.280 176.476 -1.196 17926
1342 1 12 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.207 -4.837 17926
1343 1 12 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.871 13.739 17926
1344 1 12 . 1 1 94 94 CYS H H 73 7.690 7.690 8.524 -0.834 17926
1345 1 12 . 1 1 95 95 ARG N N 74 121.930 121.930 120.017 1.913 17926
1346 1 12 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.076 0.324 17926
1347 1 12 . 1 1 95 95 ARG C C 74 176.500 176.500 177.807 -1.307 17926
1348 1 12 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.794 -1.674 17926
1349 1 12 . 1 1 95 95 ARG CB C 74 30.760 30.760 29.391 1.369 17926
1350 1 12 . 1 1 95 95 ARG H H 74 7.790 7.790 8.506 -0.716 17926
1351 1 12 . 1 1 96 96 THR N N 75 113.200 113.200 111.575 1.625 17926
1352 1 12 . 1 1 96 96 THR HA H 75 4.340 4.340 4.380 -0.040 17926
1353 1 12 . 1 1 96 96 THR C C 75 174.100 174.100 175.192 -1.092 17926
1354 1 12 . 1 1 96 96 THR CA C 75 61.720 61.720 63.895 -2.175 17926
1355 1 12 . 1 1 96 96 THR CB C 75 69.700 69.700 69.330 0.370 17926
1356 1 12 . 1 1 96 96 THR H H 75 8.100 8.100 8.156 -0.056 17926
1357 1 12 . 1 1 97 97 TYR N N 76 121.920 121.920 122.146 -0.226 17926
1358 1 12 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.267 0.323 17926
1359 1 12 . 1 1 97 97 TYR C C 76 175.280 175.280 176.438 -1.158 17926
1360 1 12 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.892 -2.973 17926
1361 1 12 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.013 0.067 17926
1362 1 12 . 1 1 97 97 TYR H H 76 8.060 8.060 7.591 0.469 17926
1363 1 12 . 1 1 98 98 ASP N N 77 122.130 122.130 119.847 2.283 17926
1364 1 12 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.552 0.078 17926
1365 1 12 . 1 1 98 98 ASP C C 77 174.820 174.820 174.681 0.139 17926
1366 1 12 . 1 1 98 98 ASP CA C 77 54.300 54.300 56.122 -1.822 17926
1367 1 12 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.422 -0.222 17926
1368 1 12 . 1 1 98 98 ASP H H 77 8.310 8.310 8.095 0.215 17926
1369 1 13 . 1 1 79 79 ASP N N 58 123.580 123.580 122.370 1.210 17926
1370 1 13 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.799 0.171 17926
1371 1 13 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.350 -1.310 17926
1372 1 13 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.427 0.413 17926
1373 1 13 . 1 1 79 79 ASP H H 58 8.600 8.600 8.287 0.313 17926
1374 1 13 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.287 0.153 17926
1375 1 13 . 1 1 80 80 PRO C C 59 178.090 178.090 177.636 0.454 17926
1376 1 13 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.811 -0.681 17926
1377 1 13 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.640 0.570 17926
1378 1 13 . 1 1 81 81 LEU N N 60 120.900 120.900 114.973 5.927 17926
1379 1 13 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.200 0.140 17926
1380 1 13 . 1 1 81 81 LEU C C 60 177.750 177.750 178.452 -0.702 17926
1381 1 13 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.471 -1.321 17926
1382 1 13 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.074 0.606 17926
1383 1 13 . 1 1 81 81 LEU H H 60 8.430 8.430 7.507 0.923 17926
1384 1 13 . 1 1 82 82 GLU N N 61 120.390 120.390 120.874 -0.484 17926
1385 1 13 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.882 0.028 17926
1386 1 13 . 1 1 82 82 GLU C C 61 178.630 178.630 178.818 -0.188 17926
1387 1 13 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.193 -0.743 17926
1388 1 13 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.595 0.065 17926
1389 1 13 . 1 1 82 82 GLU H H 61 7.960 7.960 8.499 -0.539 17926
1390 1 13 . 1 1 83 83 GLU N N 62 118.100 118.100 118.653 -0.553 17926
1391 1 13 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.057 0.063 17926
1392 1 13 . 1 1 83 83 GLU C C 62 178.320 178.320 179.131 -0.811 17926
1393 1 13 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.962 -2.312 17926
1394 1 13 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.400 0.180 17926
1395 1 13 . 1 1 83 83 GLU H H 62 8.150 8.150 8.420 -0.270 17926
1396 1 13 . 1 1 84 84 TYR N N 63 120.940 120.940 120.494 0.446 17926
1397 1 13 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.174 0.116 17926
1398 1 13 . 1 1 84 84 TYR C C 63 178.780 178.780 177.906 0.874 17926
1399 1 13 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.895 -0.385 17926
1400 1 13 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.051 0.539 17926
1401 1 13 . 1 1 84 84 TYR H H 63 8.080 8.080 7.618 0.462 17926
1402 1 13 . 1 1 85 85 CYS N N 64 116.400 116.400 116.700 -0.300 17926
1403 1 13 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.088 0.452 17926
1404 1 13 . 1 1 85 85 CYS C C 64 176.760 176.760 176.372 0.388 17926
1405 1 13 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.725 -7.495 17926
1406 1 13 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.755 10.815 17926
1407 1 13 . 1 1 85 85 CYS H H 64 8.810 8.810 8.006 0.804 17926
1408 1 13 . 1 1 86 86 LYS N N 65 121.420 121.420 118.431 2.989 17926
1409 1 13 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.176 -0.106 17926
1410 1 13 . 1 1 86 86 LYS C C 65 177.870 177.870 177.656 0.214 17926
1411 1 13 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.739 0.311 17926
1412 1 13 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.201 -0.201 17926
1413 1 13 . 1 1 86 86 LYS H H 65 7.700 7.700 7.427 0.273 17926
1414 1 13 . 1 1 87 87 ASP N N 66 116.020 116.020 118.829 -2.809 17926
1415 1 13 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.564 0.116 17926
1416 1 13 . 1 1 87 87 ASP C C 66 175.740 175.740 176.545 -0.805 17926
1417 1 13 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.570 -0.580 17926
1418 1 13 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.981 -0.011 17926
1419 1 13 . 1 1 87 87 ASP H H 66 7.180 7.180 8.123 -0.943 17926
1420 1 13 . 1 1 88 88 ASN N N 67 117.170 117.170 118.030 -0.860 17926
1421 1 13 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.091 0.029 17926
1422 1 13 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.262 0.338 17926
1423 1 13 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.213 0.637 17926
1424 1 13 . 1 1 88 88 ASN H H 67 7.510 7.510 8.440 -0.930 17926
1425 1 13 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.333 0.067 17926
1426 1 13 . 1 1 89 89 PRO C C 68 177.710 177.710 177.046 0.664 17926
1427 1 13 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.293 0.947 17926
1428 1 13 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.991 0.239 17926
1429 1 13 . 1 1 90 90 GLU N N 69 117.090 117.090 118.035 -0.945 17926
1430 1 13 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.198 0.192 17926
1431 1 13 . 1 1 90 90 GLU C C 69 177.110 177.110 177.373 -0.263 17926
1432 1 13 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.603 -2.473 17926
1433 1 13 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.929 -1.079 17926
1434 1 13 . 1 1 90 90 GLU H H 69 8.740 8.740 8.212 0.528 17926
1435 1 13 . 1 1 91 91 THR N N 70 111.550 111.550 110.361 1.189 17926
1436 1 13 . 1 1 91 91 THR HA H 70 4.530 4.530 4.478 0.052 17926
1437 1 13 . 1 1 91 91 THR C C 70 176.260 176.260 174.827 1.433 17926
1438 1 13 . 1 1 91 91 THR CA C 70 61.400 61.400 63.369 -1.969 17926
1439 1 13 . 1 1 91 91 THR CB C 70 70.900 70.900 70.650 0.250 17926
1440 1 13 . 1 1 91 91 THR H H 70 7.350 7.350 7.666 -0.316 17926
1441 1 13 . 1 1 92 92 ASN N N 71 122.700 122.700 120.930 1.770 17926
1442 1 13 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.467 -0.087 17926
1443 1 13 . 1 1 92 92 ASN C C 71 177.720 177.720 176.035 1.685 17926
1444 1 13 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.101 1.659 17926
1445 1 13 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.783 -0.453 17926
1446 1 13 . 1 1 92 92 ASN H H 71 9.140 9.140 8.098 1.042 17926
1447 1 13 . 1 1 93 93 GLU N N 72 118.080 118.080 117.665 0.415 17926
1448 1 13 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.251 -0.021 17926
1449 1 13 . 1 1 93 93 GLU C C 72 176.810 176.810 178.252 -1.442 17926
1450 1 13 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.804 1.856 17926
1451 1 13 . 1 1 93 93 GLU CB C 72 28.820 28.820 28.726 0.094 17926
1452 1 13 . 1 1 93 93 GLU H H 72 9.800 9.800 8.146 1.654 17926
1453 1 13 . 1 1 94 94 CYS N N 73 117.020 117.020 118.802 -1.782 17926
1454 1 13 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.374 0.466 17926
1455 1 13 . 1 1 94 94 CYS C C 73 175.280 175.280 175.425 -0.145 17926
1456 1 13 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.386 -3.016 17926
1457 1 13 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.010 14.600 17926
1458 1 13 . 1 1 94 94 CYS H H 73 7.690 7.690 8.091 -0.401 17926
1459 1 13 . 1 1 95 95 ARG N N 74 121.930 121.930 121.306 0.624 17926
1460 1 13 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.348 0.052 17926
1461 1 13 . 1 1 95 95 ARG C C 74 176.500 176.500 177.167 -0.667 17926
1462 1 13 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.338 -0.218 17926
1463 1 13 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.942 -0.182 17926
1464 1 13 . 1 1 95 95 ARG H H 74 7.790 7.790 8.843 -1.053 17926
1465 1 13 . 1 1 96 96 THR N N 75 113.200 113.200 113.294 -0.094 17926
1466 1 13 . 1 1 96 96 THR HA H 75 4.340 4.340 3.864 0.476 17926
1467 1 13 . 1 1 96 96 THR C C 75 174.100 174.100 174.943 -0.843 17926
1468 1 13 . 1 1 96 96 THR CA C 75 61.720 61.720 66.615 -4.895 17926
1469 1 13 . 1 1 96 96 THR CB C 75 69.700 69.700 67.170 2.530 17926
1470 1 13 . 1 1 96 96 THR H H 75 8.100 8.100 7.675 0.425 17926
1471 1 13 . 1 1 97 97 TYR N N 76 121.920 121.920 122.019 -0.099 17926
1472 1 13 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.270 0.320 17926
1473 1 13 . 1 1 97 97 TYR C C 76 175.280 175.280 176.744 -1.464 17926
1474 1 13 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.408 -2.488 17926
1475 1 13 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.729 0.351 17926
1476 1 13 . 1 1 97 97 TYR H H 76 8.060 8.060 8.128 -0.068 17926
1477 1 13 . 1 1 98 98 ASP N N 77 122.130 122.130 118.738 3.392 17926
1478 1 13 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.656 -0.026 17926
1479 1 13 . 1 1 98 98 ASP C C 77 174.820 174.820 175.013 -0.193 17926
1480 1 13 . 1 1 98 98 ASP CA C 77 54.300 54.300 55.604 -1.304 17926
1481 1 13 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.436 -0.236 17926
1482 1 13 . 1 1 98 98 ASP H H 77 8.310 8.310 8.581 -0.271 17926
1483 1 14 . 1 1 79 79 ASP N N 58 123.580 123.580 122.467 1.113 17926
1484 1 14 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.741 0.229 17926
1485 1 14 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.419 -1.379 17926
1486 1 14 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.472 0.368 17926
1487 1 14 . 1 1 79 79 ASP H H 58 8.600 8.600 8.256 0.344 17926
1488 1 14 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.220 0.220 17926
1489 1 14 . 1 1 80 80 PRO C C 59 178.090 178.090 177.801 0.289 17926
1490 1 14 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.689 -0.559 17926
1491 1 14 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.809 0.401 17926
1492 1 14 . 1 1 81 81 LEU N N 60 120.900 120.900 119.768 1.132 17926
1493 1 14 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.885 0.455 17926
1494 1 14 . 1 1 81 81 LEU C C 60 177.750 177.750 178.441 -0.691 17926
1495 1 14 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.797 -1.647 17926
1496 1 14 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.573 0.107 17926
1497 1 14 . 1 1 81 81 LEU H H 60 8.430 8.430 7.677 0.753 17926
1498 1 14 . 1 1 82 82 GLU N N 61 120.390 120.390 118.851 1.539 17926
1499 1 14 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.891 0.019 17926
1500 1 14 . 1 1 82 82 GLU C C 61 178.630 178.630 178.938 -0.308 17926
1501 1 14 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.957 -0.507 17926
1502 1 14 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.570 0.090 17926
1503 1 14 . 1 1 82 82 GLU H H 61 7.960 7.960 8.013 -0.053 17926
1504 1 14 . 1 1 83 83 GLU N N 62 118.100 118.100 119.289 -1.189 17926
1505 1 14 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.078 0.042 17926
1506 1 14 . 1 1 83 83 GLU C C 62 178.320 178.320 179.130 -0.810 17926
1507 1 14 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.865 -2.215 17926
1508 1 14 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.476 0.104 17926
1509 1 14 . 1 1 83 83 GLU H H 62 8.150 8.150 8.365 -0.215 17926
1510 1 14 . 1 1 84 84 TYR N N 63 120.940 120.940 120.871 0.069 17926
1511 1 14 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.155 0.135 17926
1512 1 14 . 1 1 84 84 TYR C C 63 178.780 178.780 178.063 0.717 17926
1513 1 14 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.536 -0.026 17926
1514 1 14 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.023 0.567 17926
1515 1 14 . 1 1 84 84 TYR H H 63 8.080 8.080 8.266 -0.186 17926
1516 1 14 . 1 1 85 85 CYS N N 64 116.400 116.400 116.776 -0.376 17926
1517 1 14 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.571 -0.031 17926
1518 1 14 . 1 1 85 85 CYS C C 64 176.760 176.760 177.120 -0.360 17926
1519 1 14 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.638 -6.408 17926
1520 1 14 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.642 10.928 17926
1521 1 14 . 1 1 85 85 CYS H H 64 8.810 8.810 8.065 0.745 17926
1522 1 14 . 1 1 86 86 LYS N N 65 121.420 121.420 120.535 0.885 17926
1523 1 14 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.052 0.018 17926
1524 1 14 . 1 1 86 86 LYS C C 65 177.870 177.870 177.627 0.243 17926
1525 1 14 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.083 -0.033 17926
1526 1 14 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.206 -0.206 17926
1527 1 14 . 1 1 86 86 LYS H H 65 7.700 7.700 7.475 0.225 17926
1528 1 14 . 1 1 87 87 ASP N N 66 116.020 116.020 117.453 -1.433 17926
1529 1 14 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.573 0.107 17926
1530 1 14 . 1 1 87 87 ASP C C 66 175.740 175.740 176.774 -1.034 17926
1531 1 14 . 1 1 87 87 ASP CA C 66 54.990 54.990 56.006 -1.016 17926
1532 1 14 . 1 1 87 87 ASP CB C 66 41.970 41.970 42.067 -0.097 17926
1533 1 14 . 1 1 87 87 ASP H H 66 7.180 7.180 8.027 -0.847 17926
1534 1 14 . 1 1 88 88 ASN N N 67 117.170 117.170 118.035 -0.865 17926
1535 1 14 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.147 -0.027 17926
1536 1 14 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.249 0.350 17926
1537 1 14 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.232 0.618 17926
1538 1 14 . 1 1 88 88 ASN H H 67 7.510 7.510 8.643 -1.133 17926
1539 1 14 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.615 -0.215 17926
1540 1 14 . 1 1 89 89 PRO C C 68 177.710 177.710 176.608 1.102 17926
1541 1 14 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.241 0.999 17926
1542 1 14 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.846 0.384 17926
1543 1 14 . 1 1 90 90 GLU N N 69 117.090 117.090 118.455 -1.365 17926
1544 1 14 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.352 0.038 17926
1545 1 14 . 1 1 90 90 GLU C C 69 177.110 177.110 176.549 0.561 17926
1546 1 14 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.730 -1.600 17926
1547 1 14 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.329 -1.479 17926
1548 1 14 . 1 1 90 90 GLU H H 69 8.740 8.740 8.140 0.600 17926
1549 1 14 . 1 1 91 91 THR N N 70 111.550 111.550 109.468 2.082 17926
1550 1 14 . 1 1 91 91 THR HA H 70 4.530 4.530 4.505 0.025 17926
1551 1 14 . 1 1 91 91 THR C C 70 176.260 176.260 174.444 1.816 17926
1552 1 14 . 1 1 91 91 THR CA C 70 61.400 61.400 62.192 -0.792 17926
1553 1 14 . 1 1 91 91 THR CB C 70 70.900 70.900 69.361 1.539 17926
1554 1 14 . 1 1 91 91 THR H H 70 7.350 7.350 7.871 -0.521 17926
1555 1 14 . 1 1 92 92 ASN N N 71 122.700 122.700 120.133 2.567 17926
1556 1 14 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.479 -0.099 17926
1557 1 14 . 1 1 92 92 ASN C C 71 177.720 177.720 176.676 1.044 17926
1558 1 14 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.943 0.817 17926
1559 1 14 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.108 0.222 17926
1560 1 14 . 1 1 92 92 ASN H H 71 9.140 9.140 8.516 0.624 17926
1561 1 14 . 1 1 93 93 GLU N N 72 118.080 118.080 117.645 0.435 17926
1562 1 14 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.628 -0.398 17926
1563 1 14 . 1 1 93 93 GLU C C 72 176.810 176.810 176.645 0.165 17926
1564 1 14 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.550 2.110 17926
1565 1 14 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.623 -1.803 17926
1566 1 14 . 1 1 93 93 GLU H H 72 9.800 9.800 8.295 1.505 17926
1567 1 14 . 1 1 94 94 CYS N N 73 117.020 117.020 119.360 -2.340 17926
1568 1 14 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.926 -0.086 17926
1569 1 14 . 1 1 94 94 CYS C C 73 175.280 175.280 176.115 -0.835 17926
1570 1 14 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.044 -2.674 17926
1571 1 14 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.767 13.843 17926
1572 1 14 . 1 1 94 94 CYS H H 73 7.690 7.690 8.112 -0.422 17926
1573 1 14 . 1 1 95 95 ARG N N 74 121.930 121.930 121.836 0.094 17926
1574 1 14 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.177 0.223 17926
1575 1 14 . 1 1 95 95 ARG C C 74 176.500 176.500 176.594 -0.094 17926
1576 1 14 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.793 -0.673 17926
1577 1 14 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.244 0.516 17926
1578 1 14 . 1 1 95 95 ARG H H 74 7.790 7.790 7.894 -0.104 17926
1579 1 14 . 1 1 96 96 THR N N 75 113.200 113.200 114.458 -1.258 17926
1580 1 14 . 1 1 96 96 THR HA H 75 4.340 4.340 4.413 -0.073 17926
1581 1 14 . 1 1 96 96 THR C C 75 174.100 174.100 174.376 -0.276 17926
1582 1 14 . 1 1 96 96 THR CA C 75 61.720 61.720 61.441 0.279 17926
1583 1 14 . 1 1 96 96 THR CB C 75 69.700 69.700 69.697 0.003 17926
1584 1 14 . 1 1 96 96 THR H H 75 8.100 8.100 7.856 0.244 17926
1585 1 14 . 1 1 97 97 TYR N N 76 121.920 121.920 120.059 1.861 17926
1586 1 14 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.518 0.072 17926
1587 1 14 . 1 1 97 97 TYR C C 76 175.280 175.280 175.834 -0.554 17926
1588 1 14 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.854 -1.934 17926
1589 1 14 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.444 -0.364 17926
1590 1 14 . 1 1 97 97 TYR H H 76 8.060 8.060 8.450 -0.390 17926
1591 1 14 . 1 1 98 98 ASP N N 77 122.130 122.130 118.934 3.196 17926
1592 1 14 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.841 -0.211 17926
1593 1 14 . 1 1 98 98 ASP C C 77 174.820 174.820 174.783 0.037 17926
1594 1 14 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.608 0.692 17926
1595 1 14 . 1 1 98 98 ASP CB C 77 41.200 41.200 42.501 -1.301 17926
1596 1 14 . 1 1 98 98 ASP H H 77 8.310 8.310 8.390 -0.080 17926
1597 1 15 . 1 1 79 79 ASP N N 58 123.580 123.580 122.930 0.650 17926
1598 1 15 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.849 0.121 17926
1599 1 15 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.927 -0.887 17926
1600 1 15 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.502 0.338 17926
1601 1 15 . 1 1 79 79 ASP H H 58 8.600 8.600 8.388 0.212 17926
1602 1 15 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.507 -0.067 17926
1603 1 15 . 1 1 80 80 PRO C C 59 178.090 178.090 177.787 0.303 17926
1604 1 15 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.669 -0.540 17926
1605 1 15 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.934 0.276 17926
1606 1 15 . 1 1 81 81 LEU N N 60 120.900 120.900 117.947 2.953 17926
1607 1 15 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.956 0.384 17926
1608 1 15 . 1 1 81 81 LEU C C 60 177.750 177.750 178.841 -1.091 17926
1609 1 15 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.694 -1.544 17926
1610 1 15 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.289 0.391 17926
1611 1 15 . 1 1 81 81 LEU H H 60 8.430 8.430 7.640 0.790 17926
1612 1 15 . 1 1 82 82 GLU N N 61 120.390 120.390 120.390 0.000 17926
1613 1 15 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.924 -0.014 17926
1614 1 15 . 1 1 82 82 GLU C C 61 178.630 178.630 178.995 -0.365 17926
1615 1 15 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.932 -0.482 17926
1616 1 15 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.573 0.087 17926
1617 1 15 . 1 1 82 82 GLU H H 61 7.960 7.960 8.357 -0.397 17926
1618 1 15 . 1 1 83 83 GLU N N 62 118.100 118.100 119.069 -0.969 17926
1619 1 15 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.034 0.086 17926
1620 1 15 . 1 1 83 83 GLU C C 62 178.320 178.320 179.118 -0.798 17926
1621 1 15 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.466 -2.816 17926
1622 1 15 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.348 0.233 17926
1623 1 15 . 1 1 83 83 GLU H H 62 8.150 8.150 8.218 -0.068 17926
1624 1 15 . 1 1 84 84 TYR N N 63 120.940 120.940 120.656 0.284 17926
1625 1 15 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.187 0.103 17926
1626 1 15 . 1 1 84 84 TYR C C 63 178.780 178.780 177.695 1.085 17926
1627 1 15 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.770 -0.260 17926
1628 1 15 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.290 0.300 17926
1629 1 15 . 1 1 84 84 TYR H H 63 8.080 8.080 7.678 0.402 17926
1630 1 15 . 1 1 85 85 CYS N N 64 116.400 116.400 117.321 -0.921 17926
1631 1 15 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.424 0.116 17926
1632 1 15 . 1 1 85 85 CYS C C 64 176.760 176.760 177.605 -0.845 17926
1633 1 15 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.410 -6.180 17926
1634 1 15 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.509 11.061 17926
1635 1 15 . 1 1 85 85 CYS H H 64 8.810 8.810 8.089 0.721 17926
1636 1 15 . 1 1 86 86 LYS N N 65 121.420 121.420 120.021 1.399 17926
1637 1 15 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.190 -0.120 17926
1638 1 15 . 1 1 86 86 LYS C C 65 177.870 177.870 177.304 0.566 17926
1639 1 15 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.898 0.152 17926
1640 1 15 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.570 -0.570 17926
1641 1 15 . 1 1 86 86 LYS H H 65 7.700 7.700 7.479 0.221 17926
1642 1 15 . 1 1 87 87 ASP N N 66 116.020 116.020 117.696 -1.676 17926
1643 1 15 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.729 -0.049 17926
1644 1 15 . 1 1 87 87 ASP C C 66 175.740 175.740 176.093 -0.353 17926
1645 1 15 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.392 0.598 17926
1646 1 15 . 1 1 87 87 ASP CB C 66 41.970 41.970 42.076 -0.106 17926
1647 1 15 . 1 1 87 87 ASP H H 66 7.180 7.180 8.159 -0.979 17926
1648 1 15 . 1 1 88 88 ASN N N 67 117.170 117.170 119.766 -2.596 17926
1649 1 15 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.073 0.047 17926
1650 1 15 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.215 0.385 17926
1651 1 15 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.221 0.629 17926
1652 1 15 . 1 1 88 88 ASN H H 67 7.510 7.510 8.385 -0.875 17926
1653 1 15 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.136 0.264 17926
1654 1 15 . 1 1 89 89 PRO C C 68 177.710 177.710 177.127 0.583 17926
1655 1 15 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.554 -0.314 17926
1656 1 15 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.615 0.615 17926
1657 1 15 . 1 1 90 90 GLU N N 69 117.090 117.090 113.712 3.378 17926
1658 1 15 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.440 -0.050 17926
1659 1 15 . 1 1 90 90 GLU C C 69 177.110 177.110 176.273 0.837 17926
1660 1 15 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.036 -1.906 17926
1661 1 15 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.395 -1.544 17926
1662 1 15 . 1 1 90 90 GLU H H 69 8.740 8.740 8.552 0.188 17926
1663 1 15 . 1 1 91 91 THR N N 70 111.550 111.550 110.176 1.374 17926
1664 1 15 . 1 1 91 91 THR HA H 70 4.530 4.530 4.455 0.075 17926
1665 1 15 . 1 1 91 91 THR C C 70 176.260 176.260 175.048 1.212 17926
1666 1 15 . 1 1 91 91 THR CA C 70 61.400 61.400 62.910 -1.510 17926
1667 1 15 . 1 1 91 91 THR CB C 70 70.900 70.900 69.094 1.806 17926
1668 1 15 . 1 1 91 91 THR H H 70 7.350 7.350 7.780 -0.430 17926
1669 1 15 . 1 1 92 92 ASN N N 71 122.700 122.700 121.006 1.694 17926
1670 1 15 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.719 -0.339 17926
1671 1 15 . 1 1 92 92 ASN C C 71 177.720 177.720 176.691 1.029 17926
1672 1 15 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.669 2.091 17926
1673 1 15 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.130 -0.799 17926
1674 1 15 . 1 1 92 92 ASN H H 71 9.140 9.140 8.973 0.167 17926
1675 1 15 . 1 1 93 93 GLU N N 72 118.080 118.080 117.302 0.778 17926
1676 1 15 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.466 -0.236 17926
1677 1 15 . 1 1 93 93 GLU C C 72 176.810 176.810 177.481 -0.671 17926
1678 1 15 . 1 1 93 93 GLU CA C 72 58.660 58.660 57.117 1.543 17926
1679 1 15 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.383 -0.562 17926
1680 1 15 . 1 1 93 93 GLU H H 72 9.800 9.800 7.763 2.037 17926
1681 1 15 . 1 1 94 94 CYS N N 73 117.020 117.020 119.700 -2.680 17926
1682 1 15 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.255 0.585 17926
1683 1 15 . 1 1 94 94 CYS C C 73 175.280 175.280 176.104 -0.824 17926
1684 1 15 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.670 -5.300 17926
1685 1 15 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.627 13.983 17926
1686 1 15 . 1 1 94 94 CYS H H 73 7.690 7.690 8.484 -0.794 17926
1687 1 15 . 1 1 95 95 ARG N N 74 121.930 121.930 121.416 0.514 17926
1688 1 15 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.149 0.251 17926
1689 1 15 . 1 1 95 95 ARG C C 74 176.500 176.500 176.375 0.125 17926
1690 1 15 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.402 -1.282 17926
1691 1 15 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.528 0.232 17926
1692 1 15 . 1 1 95 95 ARG H H 74 7.790 7.790 8.163 -0.373 17926
1693 1 15 . 1 1 96 96 THR N N 75 113.200 113.200 112.386 0.814 17926
1694 1 15 . 1 1 96 96 THR HA H 75 4.340 4.340 4.566 -0.226 17926
1695 1 15 . 1 1 96 96 THR C C 75 174.100 174.100 173.244 0.856 17926
1696 1 15 . 1 1 96 96 THR CA C 75 61.720 61.720 60.528 1.192 17926
1697 1 15 . 1 1 96 96 THR CB C 75 69.700 69.700 69.835 -0.135 17926
1698 1 15 . 1 1 96 96 THR H H 75 8.100 8.100 7.867 0.233 17926
1699 1 15 . 1 1 97 97 TYR N N 76 121.920 121.920 121.503 0.417 17926
1700 1 15 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.443 0.147 17926
1701 1 15 . 1 1 97 97 TYR C C 76 175.280 175.280 175.285 -0.005 17926
1702 1 15 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.505 -2.584 17926
1703 1 15 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.565 -0.485 17926
1704 1 15 . 1 1 97 97 TYR H H 76 8.060 8.060 8.625 -0.565 17926
1705 1 15 . 1 1 98 98 ASP N N 77 122.130 122.130 115.914 6.216 17926
1706 1 15 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.865 -0.235 17926
1707 1 15 . 1 1 98 98 ASP C C 77 174.820 174.820 175.159 -0.339 17926
1708 1 15 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.590 0.710 17926
1709 1 15 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.698 -0.498 17926
1710 1 15 . 1 1 98 98 ASP H H 77 8.310 8.310 8.018 0.292 17926
1711 1 16 . 1 1 79 79 ASP N N 58 123.580 123.580 123.030 0.550 17926
1712 1 16 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.873 0.097 17926
1713 1 16 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.009 -0.969 17926
1714 1 16 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.381 0.459 17926
1715 1 16 . 1 1 79 79 ASP H H 58 8.600 8.600 8.488 0.112 17926
1716 1 16 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.246 0.194 17926
1717 1 16 . 1 1 80 80 PRO C C 59 178.090 178.090 177.919 0.171 17926
1718 1 16 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.663 -0.533 17926
1719 1 16 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.850 0.360 17926
1720 1 16 . 1 1 81 81 LEU N N 60 120.900 120.900 119.218 1.682 17926
1721 1 16 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.053 0.287 17926
1722 1 16 . 1 1 81 81 LEU C C 60 177.750 177.750 178.155 -0.405 17926
1723 1 16 . 1 1 81 81 LEU CA C 60 56.150 56.150 58.251 -2.101 17926
1724 1 16 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.914 -0.234 17926
1725 1 16 . 1 1 81 81 LEU H H 60 8.430 8.430 7.660 0.770 17926
1726 1 16 . 1 1 82 82 GLU N N 61 120.390 120.390 119.246 1.144 17926
1727 1 16 . 1 1 82 82 GLU HA H 61 3.910 3.910 4.023 -0.113 17926
1728 1 16 . 1 1 82 82 GLU C C 61 178.630 178.630 179.203 -0.573 17926
1729 1 16 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.429 0.021 17926
1730 1 16 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.503 0.157 17926
1731 1 16 . 1 1 82 82 GLU H H 61 7.960 7.960 7.828 0.132 17926
1732 1 16 . 1 1 83 83 GLU N N 62 118.100 118.100 118.669 -0.569 17926
1733 1 16 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.070 0.050 17926
1734 1 16 . 1 1 83 83 GLU C C 62 178.320 178.320 178.980 -0.660 17926
1735 1 16 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.976 -2.326 17926
1736 1 16 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.613 -0.033 17926
1737 1 16 . 1 1 83 83 GLU H H 62 8.150 8.150 7.752 0.398 17926
1738 1 16 . 1 1 84 84 TYR N N 63 120.940 120.940 121.739 -0.799 17926
1739 1 16 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.434 -0.144 17926
1740 1 16 . 1 1 84 84 TYR C C 63 178.780 178.780 178.139 0.641 17926
1741 1 16 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.010 0.500 17926
1742 1 16 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.117 0.473 17926
1743 1 16 . 1 1 84 84 TYR H H 63 8.080 8.080 7.645 0.435 17926
1744 1 16 . 1 1 85 85 CYS N N 64 116.400 116.400 116.578 -0.178 17926
1745 1 16 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.219 0.321 17926
1746 1 16 . 1 1 85 85 CYS C C 64 176.760 176.760 177.179 -0.419 17926
1747 1 16 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.165 -6.935 17926
1748 1 16 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.417 11.153 17926
1749 1 16 . 1 1 85 85 CYS H H 64 8.810 8.810 8.081 0.729 17926
1750 1 16 . 1 1 86 86 LYS N N 65 121.420 121.420 120.367 1.053 17926
1751 1 16 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.106 -0.036 17926
1752 1 16 . 1 1 86 86 LYS C C 65 177.870 177.870 177.639 0.231 17926
1753 1 16 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.811 0.239 17926
1754 1 16 . 1 1 86 86 LYS CB C 65 32.000 32.000 31.823 0.177 17926
1755 1 16 . 1 1 86 86 LYS H H 65 7.700 7.700 7.383 0.317 17926
1756 1 16 . 1 1 87 87 ASP N N 66 116.020 116.020 118.010 -1.990 17926
1757 1 16 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.488 0.192 17926
1758 1 16 . 1 1 87 87 ASP C C 66 175.740 175.740 176.890 -1.150 17926
1759 1 16 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.868 -0.878 17926
1760 1 16 . 1 1 87 87 ASP CB C 66 41.970 41.970 40.778 1.192 17926
1761 1 16 . 1 1 87 87 ASP H H 66 7.180 7.180 7.981 -0.801 17926
1762 1 16 . 1 1 88 88 ASN N N 67 117.170 117.170 119.017 -1.847 17926
1763 1 16 . 1 1 88 88 ASN HA H 67 5.120 5.120 4.914 0.206 17926
1764 1 16 . 1 1 88 88 ASN CA C 67 51.600 51.600 50.666 0.934 17926
1765 1 16 . 1 1 88 88 ASN CB C 67 39.850 39.850 38.051 1.799 17926
1766 1 16 . 1 1 88 88 ASN H H 67 7.510 7.510 8.310 -0.800 17926
1767 1 16 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.306 0.094 17926
1768 1 16 . 1 1 89 89 PRO C C 68 177.710 177.710 177.642 0.068 17926
1769 1 16 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.931 0.309 17926
1770 1 16 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.184 0.046 17926
1771 1 16 . 1 1 90 90 GLU N N 69 117.090 117.090 115.774 1.316 17926
1772 1 16 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.457 -0.067 17926
1773 1 16 . 1 1 90 90 GLU C C 69 177.110 177.110 176.250 0.860 17926
1774 1 16 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.817 -1.687 17926
1775 1 16 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.749 -0.899 17926
1776 1 16 . 1 1 90 90 GLU H H 69 8.740 8.740 8.571 0.169 17926
1777 1 16 . 1 1 91 91 THR N N 70 111.550 111.550 111.316 0.234 17926
1778 1 16 . 1 1 91 91 THR HA H 70 4.530 4.530 4.456 0.074 17926
1779 1 16 . 1 1 91 91 THR C C 70 176.260 176.260 174.493 1.767 17926
1780 1 16 . 1 1 91 91 THR CA C 70 61.400 61.400 61.128 0.272 17926
1781 1 16 . 1 1 91 91 THR CB C 70 70.900 70.900 68.226 2.674 17926
1782 1 16 . 1 1 91 91 THR H H 70 7.350 7.350 7.974 -0.624 17926
1783 1 16 . 1 1 92 92 ASN N N 71 122.700 122.700 119.314 3.386 17926
1784 1 16 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.549 -0.169 17926
1785 1 16 . 1 1 92 92 ASN C C 71 177.720 177.720 175.828 1.892 17926
1786 1 16 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.826 1.934 17926
1787 1 16 . 1 1 92 92 ASN CB C 71 38.330 38.330 37.997 0.333 17926
1788 1 16 . 1 1 92 92 ASN H H 71 9.140 9.140 8.124 1.016 17926
1789 1 16 . 1 1 93 93 GLU N N 72 118.080 118.080 118.353 -0.273 17926
1790 1 16 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.516 -0.286 17926
1791 1 16 . 1 1 93 93 GLU C C 72 176.810 176.810 177.747 -0.937 17926
1792 1 16 . 1 1 93 93 GLU CA C 72 58.660 58.660 55.710 2.950 17926
1793 1 16 . 1 1 93 93 GLU CB C 72 28.820 28.820 28.911 -0.091 17926
1794 1 16 . 1 1 93 93 GLU H H 72 9.800 9.800 8.053 1.747 17926
1795 1 16 . 1 1 94 94 CYS N N 73 117.020 117.020 119.172 -2.152 17926
1796 1 16 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.315 0.525 17926
1797 1 16 . 1 1 94 94 CYS C C 73 175.280 175.280 175.380 -0.100 17926
1798 1 16 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.403 -3.033 17926
1799 1 16 . 1 1 94 94 CYS CB C 73 39.610 39.610 24.828 14.782 17926
1800 1 16 . 1 1 94 94 CYS H H 73 7.690 7.690 8.909 -1.219 17926
1801 1 16 . 1 1 95 95 ARG N N 74 121.930 121.930 121.459 0.471 17926
1802 1 16 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.206 0.194 17926
1803 1 16 . 1 1 95 95 ARG C C 74 176.500 176.500 176.617 -0.117 17926
1804 1 16 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.952 -0.832 17926
1805 1 16 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.628 0.132 17926
1806 1 16 . 1 1 95 95 ARG H H 74 7.790 7.790 8.907 -1.117 17926
1807 1 16 . 1 1 96 96 THR N N 75 113.200 113.200 113.294 -0.094 17926
1808 1 16 . 1 1 96 96 THR HA H 75 4.340 4.340 4.436 -0.096 17926
1809 1 16 . 1 1 96 96 THR C C 75 174.100 174.100 174.291 -0.191 17926
1810 1 16 . 1 1 96 96 THR CA C 75 61.720 61.720 62.136 -0.416 17926
1811 1 16 . 1 1 96 96 THR CB C 75 69.700 69.700 69.568 0.132 17926
1812 1 16 . 1 1 96 96 THR H H 75 8.100 8.100 7.568 0.532 17926
1813 1 16 . 1 1 97 97 TYR N N 76 121.920 121.920 119.767 2.153 17926
1814 1 16 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.509 0.081 17926
1815 1 16 . 1 1 97 97 TYR C C 76 175.280 175.280 176.487 -1.207 17926
1816 1 16 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.930 -2.010 17926
1817 1 16 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.215 -0.135 17926
1818 1 16 . 1 1 97 97 TYR H H 76 8.060 8.060 8.307 -0.247 17926
1819 1 16 . 1 1 98 98 ASP N N 77 122.130 122.130 120.962 1.168 17926
1820 1 16 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.754 -0.124 17926
1821 1 16 . 1 1 98 98 ASP C C 77 174.820 174.820 176.493 -1.673 17926
1822 1 16 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.202 0.098 17926
1823 1 16 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.518 -0.318 17926
1824 1 16 . 1 1 98 98 ASP H H 77 8.310 8.310 8.376 -0.066 17926
1825 1 17 . 1 1 79 79 ASP N N 58 123.580 123.580 122.708 0.872 17926
1826 1 17 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.806 0.164 17926
1827 1 17 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.052 -1.012 17926
1828 1 17 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.259 0.581 17926
1829 1 17 . 1 1 79 79 ASP H H 58 8.600 8.600 8.288 0.312 17926
1830 1 17 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.386 0.054 17926
1831 1 17 . 1 1 80 80 PRO C C 59 178.090 178.090 178.125 -0.035 17926
1832 1 17 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.456 -0.326 17926
1833 1 17 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.852 0.358 17926
1834 1 17 . 1 1 81 81 LEU N N 60 120.900 120.900 118.953 1.947 17926
1835 1 17 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.886 0.454 17926
1836 1 17 . 1 1 81 81 LEU C C 60 177.750 177.750 178.228 -0.478 17926
1837 1 17 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.478 -1.328 17926
1838 1 17 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.684 -0.004 17926
1839 1 17 . 1 1 81 81 LEU H H 60 8.430 8.430 7.700 0.730 17926
1840 1 17 . 1 1 82 82 GLU N N 61 120.390 120.390 119.611 0.779 17926
1841 1 17 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.846 0.064 17926
1842 1 17 . 1 1 82 82 GLU C C 61 178.630 178.630 178.863 -0.233 17926
1843 1 17 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.216 -0.766 17926
1844 1 17 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.698 -0.038 17926
1845 1 17 . 1 1 82 82 GLU H H 61 7.960 7.960 8.288 -0.328 17926
1846 1 17 . 1 1 83 83 GLU N N 62 118.100 118.100 119.095 -0.995 17926
1847 1 17 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.097 0.023 17926
1848 1 17 . 1 1 83 83 GLU C C 62 178.320 178.320 179.152 -0.832 17926
1849 1 17 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.406 -2.756 17926
1850 1 17 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.272 0.308 17926
1851 1 17 . 1 1 83 83 GLU H H 62 8.150 8.150 8.529 -0.379 17926
1852 1 17 . 1 1 84 84 TYR N N 63 120.940 120.940 120.640 0.300 17926
1853 1 17 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.156 0.134 17926
1854 1 17 . 1 1 84 84 TYR C C 63 178.780 178.780 178.032 0.748 17926
1855 1 17 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.285 0.225 17926
1856 1 17 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.046 0.544 17926
1857 1 17 . 1 1 84 84 TYR H H 63 8.080 8.080 7.856 0.224 17926
1858 1 17 . 1 1 85 85 CYS N N 64 116.400 116.400 116.947 -0.547 17926
1859 1 17 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.568 -0.028 17926
1860 1 17 . 1 1 85 85 CYS C C 64 176.760 176.760 177.220 -0.460 17926
1861 1 17 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.717 -6.487 17926
1862 1 17 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.680 10.890 17926
1863 1 17 . 1 1 85 85 CYS H H 64 8.810 8.810 8.051 0.759 17926
1864 1 17 . 1 1 86 86 LYS N N 65 121.420 121.420 120.339 1.081 17926
1865 1 17 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.041 0.029 17926
1866 1 17 . 1 1 86 86 LYS C C 65 177.870 177.870 177.705 0.165 17926
1867 1 17 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.201 -0.151 17926
1868 1 17 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.221 -0.221 17926
1869 1 17 . 1 1 86 86 LYS H H 65 7.700 7.700 7.429 0.271 17926
1870 1 17 . 1 1 87 87 ASP N N 66 116.020 116.020 117.277 -1.257 17926
1871 1 17 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.593 0.087 17926
1872 1 17 . 1 1 87 87 ASP C C 66 175.740 175.740 176.637 -0.897 17926
1873 1 17 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.432 -0.442 17926
1874 1 17 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.873 0.097 17926
1875 1 17 . 1 1 87 87 ASP H H 66 7.180 7.180 7.904 -0.724 17926
1876 1 17 . 1 1 88 88 ASN N N 67 117.170 117.170 118.355 -1.185 17926
1877 1 17 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.153 -0.033 17926
1878 1 17 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.342 0.258 17926
1879 1 17 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.348 0.502 17926
1880 1 17 . 1 1 88 88 ASN H H 67 7.510 7.510 8.645 -1.135 17926
1881 1 17 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.615 -0.215 17926
1882 1 17 . 1 1 89 89 PRO C C 68 177.710 177.710 176.780 0.930 17926
1883 1 17 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.511 0.729 17926
1884 1 17 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.919 0.311 17926
1885 1 17 . 1 1 90 90 GLU N N 69 117.090 117.090 118.351 -1.261 17926
1886 1 17 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.345 0.045 17926
1887 1 17 . 1 1 90 90 GLU C C 69 177.110 177.110 176.283 0.827 17926
1888 1 17 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.761 -1.631 17926
1889 1 17 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.239 -1.389 17926
1890 1 17 . 1 1 90 90 GLU H H 69 8.740 8.740 8.321 0.419 17926
1891 1 17 . 1 1 91 91 THR N N 70 111.550 111.550 109.359 2.191 17926
1892 1 17 . 1 1 91 91 THR HA H 70 4.530 4.530 4.479 0.051 17926
1893 1 17 . 1 1 91 91 THR C C 70 176.260 176.260 174.326 1.934 17926
1894 1 17 . 1 1 91 91 THR CA C 70 61.400 61.400 63.255 -1.855 17926
1895 1 17 . 1 1 91 91 THR CB C 70 70.900 70.900 70.216 0.684 17926
1896 1 17 . 1 1 91 91 THR H H 70 7.350 7.350 7.818 -0.468 17926
1897 1 17 . 1 1 92 92 ASN N N 71 122.700 122.700 120.867 1.833 17926
1898 1 17 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.350 0.030 17926
1899 1 17 . 1 1 92 92 ASN C C 71 177.720 177.720 176.203 1.517 17926
1900 1 17 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.361 0.399 17926
1901 1 17 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.109 0.221 17926
1902 1 17 . 1 1 92 92 ASN H H 71 9.140 9.140 8.433 0.707 17926
1903 1 17 . 1 1 93 93 GLU N N 72 118.080 118.080 116.856 1.224 17926
1904 1 17 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.596 -0.366 17926
1905 1 17 . 1 1 93 93 GLU C C 72 176.810 176.810 177.199 -0.389 17926
1906 1 17 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.590 2.070 17926
1907 1 17 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.096 -1.276 17926
1908 1 17 . 1 1 93 93 GLU H H 72 9.800 9.800 8.109 1.691 17926
1909 1 17 . 1 1 94 94 CYS N N 73 117.020 117.020 118.794 -1.774 17926
1910 1 17 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.857 -0.017 17926
1911 1 17 . 1 1 94 94 CYS C C 73 175.280 175.280 175.493 -0.213 17926
1912 1 17 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.437 -3.067 17926
1913 1 17 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.836 13.774 17926
1914 1 17 . 1 1 94 94 CYS H H 73 7.690 7.690 8.082 -0.392 17926
1915 1 17 . 1 1 95 95 ARG N N 74 121.930 121.930 120.757 1.173 17926
1916 1 17 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.180 0.220 17926
1917 1 17 . 1 1 95 95 ARG C C 74 176.500 176.500 177.090 -0.590 17926
1918 1 17 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.921 -0.801 17926
1919 1 17 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.822 -0.062 17926
1920 1 17 . 1 1 95 95 ARG H H 74 7.790 7.790 8.189 -0.399 17926
1921 1 17 . 1 1 96 96 THR N N 75 113.200 113.200 112.448 0.752 17926
1922 1 17 . 1 1 96 96 THR HA H 75 4.340 4.340 4.035 0.305 17926
1923 1 17 . 1 1 96 96 THR C C 75 174.100 174.100 174.960 -0.860 17926
1924 1 17 . 1 1 96 96 THR CA C 75 61.720 61.720 63.412 -1.692 17926
1925 1 17 . 1 1 96 96 THR CB C 75 69.700 69.700 68.549 1.151 17926
1926 1 17 . 1 1 96 96 THR H H 75 8.100 8.100 7.856 0.244 17926
1927 1 17 . 1 1 97 97 TYR N N 76 121.920 121.920 121.162 0.758 17926
1928 1 17 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.286 0.304 17926
1929 1 17 . 1 1 97 97 TYR C C 76 175.280 175.280 175.954 -0.674 17926
1930 1 17 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.037 -2.117 17926
1931 1 17 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.933 0.147 17926
1932 1 17 . 1 1 97 97 TYR H H 76 8.060 8.060 8.614 -0.554 17926
1933 1 17 . 1 1 98 98 ASP N N 77 122.130 122.130 114.941 7.189 17926
1934 1 17 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.711 -0.081 17926
1935 1 17 . 1 1 98 98 ASP C C 77 174.820 174.820 174.403 0.417 17926
1936 1 17 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.822 0.478 17926
1937 1 17 . 1 1 98 98 ASP CB C 77 41.200 41.200 42.701 -1.501 17926
1938 1 17 . 1 1 98 98 ASP H H 77 8.310 8.310 7.647 0.663 17926
1939 1 18 . 1 1 79 79 ASP N N 58 123.580 123.580 122.571 1.009 17926
1940 1 18 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.757 0.213 17926
1941 1 18 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.324 -1.284 17926
1942 1 18 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.397 0.443 17926
1943 1 18 . 1 1 79 79 ASP H H 58 8.600 8.600 8.272 0.328 17926
1944 1 18 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.282 0.158 17926
1945 1 18 . 1 1 80 80 PRO C C 59 178.090 178.090 177.800 0.290 17926
1946 1 18 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.666 -0.536 17926
1947 1 18 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.907 0.303 17926
1948 1 18 . 1 1 81 81 LEU N N 60 120.900 120.900 118.019 2.881 17926
1949 1 18 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.691 0.649 17926
1950 1 18 . 1 1 81 81 LEU C C 60 177.750 177.750 178.957 -1.207 17926
1951 1 18 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.761 -1.611 17926
1952 1 18 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.143 0.537 17926
1953 1 18 . 1 1 81 81 LEU H H 60 8.430 8.430 7.631 0.799 17926
1954 1 18 . 1 1 82 82 GLU N N 61 120.390 120.390 118.449 1.941 17926
1955 1 18 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.904 0.006 17926
1956 1 18 . 1 1 82 82 GLU C C 61 178.630 178.630 179.224 -0.594 17926
1957 1 18 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.355 0.095 17926
1958 1 18 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.266 0.394 17926
1959 1 18 . 1 1 82 82 GLU H H 61 7.960 7.960 8.170 -0.210 17926
1960 1 18 . 1 1 83 83 GLU N N 62 118.100 118.100 119.313 -1.213 17926
1961 1 18 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.077 0.043 17926
1962 1 18 . 1 1 83 83 GLU C C 62 178.320 178.320 179.085 -0.765 17926
1963 1 18 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.863 -2.213 17926
1964 1 18 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.479 0.101 17926
1965 1 18 . 1 1 83 83 GLU H H 62 8.150 8.150 8.131 0.019 17926
1966 1 18 . 1 1 84 84 TYR N N 63 120.940 120.940 121.011 -0.071 17926
1967 1 18 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.175 0.115 17926
1968 1 18 . 1 1 84 84 TYR C C 63 178.780 178.780 177.801 0.979 17926
1969 1 18 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.715 -0.205 17926
1970 1 18 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.969 0.621 17926
1971 1 18 . 1 1 84 84 TYR H H 63 8.080 8.080 7.826 0.254 17926
1972 1 18 . 1 1 85 85 CYS N N 64 116.400 116.400 115.848 0.552 17926
1973 1 18 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.653 -0.113 17926
1974 1 18 . 1 1 85 85 CYS C C 64 176.760 176.760 176.748 0.012 17926
1975 1 18 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.029 -5.799 17926
1976 1 18 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.774 10.796 17926
1977 1 18 . 1 1 85 85 CYS H H 64 8.810 8.810 7.882 0.928 17926
1978 1 18 . 1 1 86 86 LYS N N 65 121.420 121.420 120.001 1.419 17926
1979 1 18 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.105 -0.035 17926
1980 1 18 . 1 1 86 86 LYS C C 65 177.870 177.870 177.505 0.365 17926
1981 1 18 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.952 0.098 17926
1982 1 18 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.351 -0.351 17926
1983 1 18 . 1 1 86 86 LYS H H 65 7.700 7.700 7.556 0.144 17926
1984 1 18 . 1 1 87 87 ASP N N 66 116.020 116.020 117.514 -1.494 17926
1985 1 18 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.604 0.076 17926
1986 1 18 . 1 1 87 87 ASP C C 66 175.740 175.740 176.742 -1.002 17926
1987 1 18 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.670 -0.680 17926
1988 1 18 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.914 0.056 17926
1989 1 18 . 1 1 87 87 ASP H H 66 7.180 7.180 7.975 -0.795 17926
1990 1 18 . 1 1 88 88 ASN N N 67 117.170 117.170 118.096 -0.926 17926
1991 1 18 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.165 -0.045 17926
1992 1 18 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.337 0.263 17926
1993 1 18 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.474 0.376 17926
1994 1 18 . 1 1 88 88 ASN H H 67 7.510 7.510 8.635 -1.125 17926
1995 1 18 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.577 -0.177 17926
1996 1 18 . 1 1 89 89 PRO C C 68 177.710 177.710 176.534 1.176 17926
1997 1 18 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.166 1.074 17926
1998 1 18 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.005 0.225 17926
1999 1 18 . 1 1 90 90 GLU N N 69 117.090 117.090 118.851 -1.761 17926
2000 1 18 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.345 0.045 17926
2001 1 18 . 1 1 90 90 GLU C C 69 177.110 177.110 176.555 0.555 17926
2002 1 18 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.251 -1.121 17926
2003 1 18 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.338 -1.488 17926
2004 1 18 . 1 1 90 90 GLU H H 69 8.740 8.740 8.196 0.544 17926
2005 1 18 . 1 1 91 91 THR N N 70 111.550 111.550 109.151 2.399 17926
2006 1 18 . 1 1 91 91 THR HA H 70 4.530 4.530 4.388 0.142 17926
2007 1 18 . 1 1 91 91 THR C C 70 176.260 176.260 176.037 0.223 17926
2008 1 18 . 1 1 91 91 THR CA C 70 61.400 61.400 62.880 -1.480 17926
2009 1 18 . 1 1 91 91 THR CB C 70 70.900 70.900 69.078 1.822 17926
2010 1 18 . 1 1 91 91 THR H H 70 7.350 7.350 7.811 -0.461 17926
2011 1 18 . 1 1 92 92 ASN N N 71 122.700 122.700 121.374 1.326 17926
2012 1 18 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.437 -0.057 17926
2013 1 18 . 1 1 92 92 ASN C C 71 177.720 177.720 176.516 1.204 17926
2014 1 18 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.732 0.028 17926
2015 1 18 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.193 0.137 17926
2016 1 18 . 1 1 92 92 ASN H H 71 9.140 9.140 8.783 0.357 17926
2017 1 18 . 1 1 93 93 GLU N N 72 118.080 118.080 118.272 -0.192 17926
2018 1 18 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.739 -0.509 17926
2019 1 18 . 1 1 93 93 GLU C C 72 176.810 176.810 176.737 0.073 17926
2020 1 18 . 1 1 93 93 GLU CA C 72 58.660 58.660 57.072 1.587 17926
2021 1 18 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.904 -1.085 17926
2022 1 18 . 1 1 93 93 GLU H H 72 9.800 9.800 8.220 1.580 17926
2023 1 18 . 1 1 94 94 CYS N N 73 117.020 117.020 117.101 -0.081 17926
2024 1 18 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.562 0.278 17926
2025 1 18 . 1 1 94 94 CYS C C 73 175.280 175.280 175.994 -0.714 17926
2026 1 18 . 1 1 94 94 CYS CA C 73 55.370 55.370 59.440 -4.070 17926
2027 1 18 . 1 1 94 94 CYS CB C 73 39.610 39.610 27.291 12.319 17926
2028 1 18 . 1 1 94 94 CYS H H 73 7.690 7.690 8.184 -0.494 17926
2029 1 18 . 1 1 95 95 ARG N N 74 121.930 121.930 119.020 2.910 17926
2030 1 18 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.431 -0.031 17926
2031 1 18 . 1 1 95 95 ARG C C 74 176.500 176.500 177.441 -0.941 17926
2032 1 18 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.782 -0.662 17926
2033 1 18 . 1 1 95 95 ARG CB C 74 30.760 30.760 31.492 -0.732 17926
2034 1 18 . 1 1 95 95 ARG H H 74 7.790 7.790 8.535 -0.745 17926
2035 1 18 . 1 1 96 96 THR N N 75 113.200 113.200 113.229 -0.029 17926
2036 1 18 . 1 1 96 96 THR HA H 75 4.340 4.340 4.493 -0.153 17926
2037 1 18 . 1 1 96 96 THR C C 75 174.100 174.100 174.788 -0.688 17926
2038 1 18 . 1 1 96 96 THR CA C 75 61.720 61.720 63.327 -1.607 17926
2039 1 18 . 1 1 96 96 THR CB C 75 69.700 69.700 71.229 -1.529 17926
2040 1 18 . 1 1 96 96 THR H H 75 8.100 8.100 7.872 0.228 17926
2041 1 18 . 1 1 97 97 TYR N N 76 121.920 121.920 122.024 -0.104 17926
2042 1 18 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.420 0.170 17926
2043 1 18 . 1 1 97 97 TYR C C 76 175.280 175.280 174.461 0.819 17926
2044 1 18 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.600 -2.680 17926
2045 1 18 . 1 1 97 97 TYR CB C 76 39.080 39.080 37.302 1.778 17926
2046 1 18 . 1 1 97 97 TYR H H 76 8.060 8.060 8.328 -0.268 17926
2047 1 18 . 1 1 98 98 ASP N N 77 122.130 122.130 122.029 0.101 17926
2048 1 18 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.407 0.223 17926
2049 1 18 . 1 1 98 98 ASP C C 77 174.820 174.820 175.881 -1.061 17926
2050 1 18 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.196 1.104 17926
2051 1 18 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.724 -0.524 17926
2052 1 18 . 1 1 98 98 ASP H H 77 8.310 8.310 8.051 0.259 17926
2053 1 19 . 1 1 79 79 ASP N N 58 123.580 123.580 122.690 0.890 17926
2054 1 19 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.793 0.177 17926
2055 1 19 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.120 -1.080 17926
2056 1 19 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.340 0.500 17926
2057 1 19 . 1 1 79 79 ASP H H 58 8.600 8.600 8.289 0.311 17926
2058 1 19 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.275 0.165 17926
2059 1 19 . 1 1 80 80 PRO C C 59 178.090 178.090 178.205 -0.115 17926
2060 1 19 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.643 -0.513 17926
2061 1 19 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.865 0.345 17926
2062 1 19 . 1 1 81 81 LEU N N 60 120.900 120.900 119.686 1.214 17926
2063 1 19 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.927 0.413 17926
2064 1 19 . 1 1 81 81 LEU C C 60 177.750 177.750 178.387 -0.637 17926
2065 1 19 . 1 1 81 81 LEU CA C 60 56.150 56.150 58.055 -1.905 17926
2066 1 19 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.768 -0.088 17926
2067 1 19 . 1 1 81 81 LEU H H 60 8.430 8.430 7.671 0.759 17926
2068 1 19 . 1 1 82 82 GLU N N 61 120.390 120.390 118.801 1.589 17926
2069 1 19 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.922 -0.012 17926
2070 1 19 . 1 1 82 82 GLU C C 61 178.630 178.630 179.165 -0.535 17926
2071 1 19 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.912 -0.462 17926
2072 1 19 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.445 0.215 17926
2073 1 19 . 1 1 82 82 GLU H H 61 7.960 7.960 7.907 0.053 17926
2074 1 19 . 1 1 83 83 GLU N N 62 118.100 118.100 118.964 -0.864 17926
2075 1 19 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.079 0.041 17926
2076 1 19 . 1 1 83 83 GLU C C 62 178.320 178.320 179.286 -0.966 17926
2077 1 19 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.968 -2.318 17926
2078 1 19 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.533 0.047 17926
2079 1 19 . 1 1 83 83 GLU H H 62 8.150 8.150 8.187 -0.037 17926
2080 1 19 . 1 1 84 84 TYR N N 63 120.940 120.940 121.005 -0.065 17926
2081 1 19 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.199 0.091 17926
2082 1 19 . 1 1 84 84 TYR C C 63 178.780 178.780 177.870 0.910 17926
2083 1 19 . 1 1 84 84 TYR CA C 63 61.510 61.510 62.040 -0.530 17926
2084 1 19 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.852 0.738 17926
2085 1 19 . 1 1 84 84 TYR H H 63 8.080 8.080 8.020 0.060 17926
2086 1 19 . 1 1 85 85 CYS N N 64 116.400 116.400 116.740 -0.340 17926
2087 1 19 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.077 0.463 17926
2088 1 19 . 1 1 85 85 CYS C C 64 176.760 176.760 176.417 0.343 17926
2089 1 19 . 1 1 85 85 CYS CA C 64 55.230 55.230 62.839 -7.609 17926
2090 1 19 . 1 1 85 85 CYS CB C 64 36.570 36.570 26.100 10.470 17926
2091 1 19 . 1 1 85 85 CYS H H 64 8.810 8.810 8.026 0.784 17926
2092 1 19 . 1 1 86 86 LYS N N 65 121.420 121.420 117.394 4.026 17926
2093 1 19 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.200 -0.130 17926
2094 1 19 . 1 1 86 86 LYS C C 65 177.870 177.870 177.870 0.000 17926
2095 1 19 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.331 0.719 17926
2096 1 19 . 1 1 86 86 LYS CB C 65 32.000 32.000 31.697 0.303 17926
2097 1 19 . 1 1 86 86 LYS H H 65 7.700 7.700 7.384 0.316 17926
2098 1 19 . 1 1 87 87 ASP N N 66 116.020 116.020 119.989 -3.969 17926
2099 1 19 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.597 0.083 17926
2100 1 19 . 1 1 87 87 ASP C C 66 175.740 175.740 176.714 -0.974 17926
2101 1 19 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.633 -0.643 17926
2102 1 19 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.521 0.449 17926
2103 1 19 . 1 1 87 87 ASP H H 66 7.180 7.180 8.140 -0.960 17926
2104 1 19 . 1 1 88 88 ASN N N 67 117.170 117.170 119.339 -2.169 17926
2105 1 19 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.141 -0.021 17926
2106 1 19 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.102 0.498 17926
2107 1 19 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.114 0.736 17926
2108 1 19 . 1 1 88 88 ASN H H 67 7.510 7.510 8.458 -0.948 17926
2109 1 19 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.291 0.109 17926
2110 1 19 . 1 1 89 89 PRO C C 68 177.710 177.710 177.041 0.669 17926
2111 1 19 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.229 1.011 17926
2112 1 19 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.872 0.358 17926
2113 1 19 . 1 1 90 90 GLU N N 69 117.090 117.090 117.613 -0.523 17926
2114 1 19 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.201 0.189 17926
2115 1 19 . 1 1 90 90 GLU C C 69 177.110 177.110 176.977 0.133 17926
2116 1 19 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.775 -2.645 17926
2117 1 19 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.318 -0.468 17926
2118 1 19 . 1 1 90 90 GLU H H 69 8.740 8.740 8.406 0.334 17926
2119 1 19 . 1 1 91 91 THR N N 70 111.550 111.550 110.614 0.936 17926
2120 1 19 . 1 1 91 91 THR HA H 70 4.530 4.530 4.443 0.087 17926
2121 1 19 . 1 1 91 91 THR C C 70 176.260 176.260 174.924 1.336 17926
2122 1 19 . 1 1 91 91 THR CA C 70 61.400 61.400 62.706 -1.306 17926
2123 1 19 . 1 1 91 91 THR CB C 70 70.900 70.900 70.456 0.444 17926
2124 1 19 . 1 1 91 91 THR H H 70 7.350 7.350 7.647 -0.297 17926
2125 1 19 . 1 1 92 92 ASN N N 71 122.700 122.700 120.700 2.000 17926
2126 1 19 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.434 -0.054 17926
2127 1 19 . 1 1 92 92 ASN C C 71 177.720 177.720 176.130 1.590 17926
2128 1 19 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.267 1.493 17926
2129 1 19 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.771 -0.441 17926
2130 1 19 . 1 1 92 92 ASN H H 71 9.140 9.140 8.105 1.035 17926
2131 1 19 . 1 1 93 93 GLU N N 72 118.080 118.080 116.470 1.610 17926
2132 1 19 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.219 0.011 17926
2133 1 19 . 1 1 93 93 GLU C C 72 176.810 176.810 178.408 -1.598 17926
2134 1 19 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.813 1.847 17926
2135 1 19 . 1 1 93 93 GLU CB C 72 28.820 28.820 28.682 0.138 17926
2136 1 19 . 1 1 93 93 GLU H H 72 9.800 9.800 8.073 1.727 17926
2137 1 19 . 1 1 94 94 CYS N N 73 117.020 117.020 118.977 -1.957 17926
2138 1 19 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.335 0.505 17926
2139 1 19 . 1 1 94 94 CYS C C 73 175.280 175.280 175.554 -0.274 17926
2140 1 19 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.134 -2.764 17926
2141 1 19 . 1 1 94 94 CYS CB C 73 39.610 39.610 24.903 14.707 17926
2142 1 19 . 1 1 94 94 CYS H H 73 7.690 7.690 8.107 -0.417 17926
2143 1 19 . 1 1 95 95 ARG N N 74 121.930 121.930 121.399 0.531 17926
2144 1 19 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.148 0.252 17926
2145 1 19 . 1 1 95 95 ARG C C 74 176.500 176.500 176.584 -0.084 17926
2146 1 19 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.299 -1.179 17926
2147 1 19 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.652 0.107 17926
2148 1 19 . 1 1 95 95 ARG H H 74 7.790 7.790 8.706 -0.916 17926
2149 1 19 . 1 1 96 96 THR N N 75 113.200 113.200 112.277 0.923 17926
2150 1 19 . 1 1 96 96 THR HA H 75 4.340 4.340 4.555 -0.215 17926
2151 1 19 . 1 1 96 96 THR C C 75 174.100 174.100 173.787 0.313 17926
2152 1 19 . 1 1 96 96 THR CA C 75 61.720 61.720 61.140 0.580 17926
2153 1 19 . 1 1 96 96 THR CB C 75 69.700 69.700 69.945 -0.245 17926
2154 1 19 . 1 1 96 96 THR H H 75 8.100 8.100 7.582 0.518 17926
2155 1 19 . 1 1 97 97 TYR N N 76 121.920 121.920 120.791 1.129 17926
2156 1 19 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.563 0.027 17926
2157 1 19 . 1 1 97 97 TYR C C 76 175.280 175.280 175.699 -0.419 17926
2158 1 19 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.409 -1.489 17926
2159 1 19 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.203 -0.123 17926
2160 1 19 . 1 1 97 97 TYR H H 76 8.060 8.060 8.302 -0.242 17926
2161 1 19 . 1 1 98 98 ASP N N 77 122.130 122.130 122.196 -0.066 17926
2162 1 19 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.610 0.020 17926
2163 1 19 . 1 1 98 98 ASP C C 77 174.820 174.820 175.988 -1.168 17926
2164 1 19 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.256 0.044 17926
2165 1 19 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.198 0.002 17926
2166 1 19 . 1 1 98 98 ASP H H 77 8.310 8.310 8.337 -0.027 17926
2167 1 20 . 1 1 79 79 ASP N N 58 123.580 123.580 122.163 1.417 17926
2168 1 20 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.800 0.171 17926
2169 1 20 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.318 -1.278 17926
2170 1 20 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.298 0.542 17926
2171 1 20 . 1 1 79 79 ASP H H 58 8.600 8.600 8.471 0.129 17926
2172 1 20 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.452 -0.012 17926
2173 1 20 . 1 1 80 80 PRO C C 59 178.090 178.090 178.294 -0.204 17926
2174 1 20 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.652 -0.522 17926
2175 1 20 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.872 0.338 17926
2176 1 20 . 1 1 81 81 LEU N N 60 120.900 120.900 118.994 1.906 17926
2177 1 20 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.928 0.412 17926
2178 1 20 . 1 1 81 81 LEU C C 60 177.750 177.750 177.782 -0.032 17926
2179 1 20 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.646 -1.496 17926
2180 1 20 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.699 -0.019 17926
2181 1 20 . 1 1 81 81 LEU H H 60 8.430 8.430 7.816 0.615 17926
2182 1 20 . 1 1 82 82 GLU N N 61 120.390 120.390 119.032 1.358 17926
2183 1 20 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.946 -0.036 17926
2184 1 20 . 1 1 82 82 GLU C C 61 178.630 178.630 178.747 -0.117 17926
2185 1 20 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.536 -0.086 17926
2186 1 20 . 1 1 82 82 GLU CB C 61 29.660 29.660 28.998 0.662 17926
2187 1 20 . 1 1 82 82 GLU H H 61 7.960 7.960 8.377 -0.417 17926
2188 1 20 . 1 1 83 83 GLU N N 62 118.100 118.100 119.934 -1.834 17926
2189 1 20 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.076 0.044 17926
2190 1 20 . 1 1 83 83 GLU C C 62 178.320 178.320 179.181 -0.861 17926
2191 1 20 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.211 -2.561 17926
2192 1 20 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.294 0.286 17926
2193 1 20 . 1 1 83 83 GLU H H 62 8.150 8.150 8.449 -0.299 17926
2194 1 20 . 1 1 84 84 TYR N N 63 120.940 120.940 120.670 0.270 17926
2195 1 20 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.220 0.070 17926
2196 1 20 . 1 1 84 84 TYR C C 63 178.780 178.780 177.776 1.004 17926
2197 1 20 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.752 -0.242 17926
2198 1 20 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.394 0.196 17926
2199 1 20 . 1 1 84 84 TYR H H 63 8.080 8.080 7.884 0.196 17926
2200 1 20 . 1 1 85 85 CYS N N 64 116.400 116.400 116.326 0.074 17926
2201 1 20 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.392 0.148 17926
2202 1 20 . 1 1 85 85 CYS C C 64 176.760 176.760 177.277 -0.517 17926
2203 1 20 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.867 -6.637 17926
2204 1 20 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.433 11.136 17926
2205 1 20 . 1 1 85 85 CYS H H 64 8.810 8.810 8.108 0.702 17926
2206 1 20 . 1 1 86 86 LYS N N 65 121.420 121.420 119.686 1.734 17926
2207 1 20 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.187 -0.117 17926
2208 1 20 . 1 1 86 86 LYS C C 65 177.870 177.870 177.515 0.355 17926
2209 1 20 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.770 0.280 17926
2210 1 20 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.289 -0.289 17926
2211 1 20 . 1 1 86 86 LYS H H 65 7.700 7.700 7.413 0.287 17926
2212 1 20 . 1 1 87 87 ASP N N 66 116.020 116.020 118.200 -2.180 17926
2213 1 20 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.728 -0.048 17926
2214 1 20 . 1 1 87 87 ASP C C 66 175.740 175.740 176.130 -0.390 17926
2215 1 20 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.295 0.695 17926
2216 1 20 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.518 0.452 17926
2217 1 20 . 1 1 87 87 ASP H H 66 7.180 7.180 8.066 -0.886 17926
2218 1 20 . 1 1 88 88 ASN N N 67 117.170 117.170 119.817 -2.647 17926
2219 1 20 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.068 0.052 17926
2220 1 20 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.152 0.448 17926
2221 1 20 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.293 0.557 17926
2222 1 20 . 1 1 88 88 ASN H H 67 7.510 7.510 8.309 -0.799 17926
2223 1 20 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.133 0.267 17926
2224 1 20 . 1 1 89 89 PRO C C 68 177.710 177.710 177.368 0.342 17926
2225 1 20 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.752 -0.512 17926
2226 1 20 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.700 0.530 17926
2227 1 20 . 1 1 90 90 GLU N N 69 117.090 117.090 114.313 2.777 17926
2228 1 20 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.172 0.218 17926
2229 1 20 . 1 1 90 90 GLU C C 69 177.110 177.110 176.328 0.782 17926
2230 1 20 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.405 -2.275 17926
2231 1 20 . 1 1 90 90 GLU CB C 69 28.850 28.850 29.897 -1.047 17926
2232 1 20 . 1 1 90 90 GLU H H 69 8.740 8.740 8.627 0.113 17926
2233 1 20 . 1 1 91 91 THR N N 70 111.550 111.550 111.471 0.079 17926
2234 1 20 . 1 1 91 91 THR HA H 70 4.530 4.530 4.397 0.133 17926
2235 1 20 . 1 1 91 91 THR C C 70 176.260 176.260 175.149 1.111 17926
2236 1 20 . 1 1 91 91 THR CA C 70 61.400 61.400 63.230 -1.830 17926
2237 1 20 . 1 1 91 91 THR CB C 70 70.900 70.900 69.008 1.892 17926
2238 1 20 . 1 1 91 91 THR H H 70 7.350 7.350 7.839 -0.489 17926
2239 1 20 . 1 1 92 92 ASN N N 71 122.700 122.700 120.941 1.759 17926
2240 1 20 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.868 -0.488 17926
2241 1 20 . 1 1 92 92 ASN C C 71 177.720 177.720 176.803 0.917 17926
2242 1 20 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.622 2.138 17926
2243 1 20 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.289 -0.959 17926
2244 1 20 . 1 1 92 92 ASN H H 71 9.140 9.140 8.934 0.206 17926
2245 1 20 . 1 1 93 93 GLU N N 72 118.080 118.080 117.527 0.553 17926
2246 1 20 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.550 -0.320 17926
2247 1 20 . 1 1 93 93 GLU C C 72 176.810 176.810 177.642 -0.832 17926
2248 1 20 . 1 1 93 93 GLU CA C 72 58.660 58.660 57.098 1.562 17926
2249 1 20 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.320 -0.499 17926
2250 1 20 . 1 1 93 93 GLU H H 72 9.800 9.800 7.878 1.922 17926
2251 1 20 . 1 1 94 94 CYS N N 73 117.020 117.020 117.358 -0.338 17926
2252 1 20 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.198 0.642 17926
2253 1 20 . 1 1 94 94 CYS C C 73 175.280 175.280 176.369 -1.089 17926
2254 1 20 . 1 1 94 94 CYS CA C 73 55.370 55.370 60.178 -4.808 17926
2255 1 20 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.211 13.399 17926
2256 1 20 . 1 1 94 94 CYS H H 73 7.690 7.690 8.483 -0.793 17926
2257 1 20 . 1 1 95 95 ARG N N 74 121.930 121.930 119.631 2.299 17926
2258 1 20 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.130 0.270 17926
2259 1 20 . 1 1 95 95 ARG C C 74 176.500 176.500 176.513 -0.013 17926
2260 1 20 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.941 -0.821 17926
2261 1 20 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.110 0.650 17926
2262 1 20 . 1 1 95 95 ARG H H 74 7.790 7.790 8.245 -0.455 17926
2263 1 20 . 1 1 96 96 THR N N 75 113.200 113.200 110.921 2.279 17926
2264 1 20 . 1 1 96 96 THR HA H 75 4.340 4.340 4.561 -0.221 17926
2265 1 20 . 1 1 96 96 THR C C 75 174.100 174.100 172.801 1.299 17926
2266 1 20 . 1 1 96 96 THR CA C 75 61.720 61.720 60.363 1.357 17926
2267 1 20 . 1 1 96 96 THR CB C 75 69.700 69.700 70.251 -0.551 17926
2268 1 20 . 1 1 96 96 THR H H 75 8.100 8.100 7.840 0.260 17926
2269 1 20 . 1 1 97 97 TYR N N 76 121.920 121.920 119.744 2.176 17926
2270 1 20 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.594 -0.004 17926
2271 1 20 . 1 1 97 97 TYR C C 76 175.280 175.280 175.445 -0.165 17926
2272 1 20 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.273 -1.353 17926
2273 1 20 . 1 1 97 97 TYR CB C 76 39.080 39.080 40.313 -1.233 17926
2274 1 20 . 1 1 97 97 TYR H H 76 8.060 8.060 8.401 -0.341 17926
2275 1 20 . 1 1 98 98 ASP N N 77 122.130 122.130 119.234 2.896 17926
2276 1 20 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.714 -0.084 17926
2277 1 20 . 1 1 98 98 ASP C C 77 174.820 174.820 175.402 -0.582 17926
2278 1 20 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.316 -0.016 17926
2279 1 20 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.508 -0.308 17926
2280 1 20 . 1 1 98 98 ASP H H 77 8.310 8.310 8.399 -0.089 17926
2281 1 21 . 1 1 79 79 ASP N N 58 123.580 123.580 122.649 0.931 17926
2282 1 21 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.755 0.215 17926
2283 1 21 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.378 -1.338 17926
2284 1 21 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.349 0.491 17926
2285 1 21 . 1 1 79 79 ASP H H 58 8.600 8.600 8.275 0.325 17926
2286 1 21 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.435 0.005 17926
2287 1 21 . 1 1 80 80 PRO C C 59 178.090 178.090 178.198 -0.108 17926
2288 1 21 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.483 -0.353 17926
2289 1 21 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.920 0.290 17926
2290 1 21 . 1 1 81 81 LEU N N 60 120.900 120.900 118.633 2.267 17926
2291 1 21 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.986 0.354 17926
2292 1 21 . 1 1 81 81 LEU C C 60 177.750 177.750 178.246 -0.496 17926
2293 1 21 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.324 -1.174 17926
2294 1 21 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.621 0.059 17926
2295 1 21 . 1 1 81 81 LEU H H 60 8.430 8.430 7.632 0.798 17926
2296 1 21 . 1 1 82 82 GLU N N 61 120.390 120.390 119.416 0.974 17926
2297 1 21 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.983 -0.073 17926
2298 1 21 . 1 1 82 82 GLU C C 61 178.630 178.630 179.215 -0.585 17926
2299 1 21 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.557 -0.107 17926
2300 1 21 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.201 0.459 17926
2301 1 21 . 1 1 82 82 GLU H H 61 7.960 7.960 8.475 -0.515 17926
2302 1 21 . 1 1 83 83 GLU N N 62 118.100 118.100 119.031 -0.931 17926
2303 1 21 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.101 0.019 17926
2304 1 21 . 1 1 83 83 GLU C C 62 178.320 178.320 178.977 -0.657 17926
2305 1 21 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.200 -2.550 17926
2306 1 21 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.342 0.238 17926
2307 1 21 . 1 1 83 83 GLU H H 62 8.150 8.150 8.031 0.119 17926
2308 1 21 . 1 1 84 84 TYR N N 63 120.940 120.940 120.676 0.264 17926
2309 1 21 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.175 0.115 17926
2310 1 21 . 1 1 84 84 TYR C C 63 178.780 178.780 177.968 0.812 17926
2311 1 21 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.492 0.018 17926
2312 1 21 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.079 0.511 17926
2313 1 21 . 1 1 84 84 TYR H H 63 8.080 8.080 7.621 0.459 17926
2314 1 21 . 1 1 85 85 CYS N N 64 116.400 116.400 116.877 -0.477 17926
2315 1 21 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.580 -0.040 17926
2316 1 21 . 1 1 85 85 CYS C C 64 176.760 176.760 177.159 -0.399 17926
2317 1 21 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.683 -6.453 17926
2318 1 21 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.633 10.937 17926
2319 1 21 . 1 1 85 85 CYS H H 64 8.810 8.810 8.092 0.718 17926
2320 1 21 . 1 1 86 86 LYS N N 65 121.420 121.420 120.413 1.007 17926
2321 1 21 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.064 0.006 17926
2322 1 21 . 1 1 86 86 LYS C C 65 177.870 177.870 177.604 0.266 17926
2323 1 21 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.181 -0.131 17926
2324 1 21 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.284 -0.284 17926
2325 1 21 . 1 1 86 86 LYS H H 65 7.700 7.700 7.644 0.056 17926
2326 1 21 . 1 1 87 87 ASP N N 66 116.020 116.020 117.856 -1.836 17926
2327 1 21 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.607 0.073 17926
2328 1 21 . 1 1 87 87 ASP C C 66 175.740 175.740 176.794 -1.054 17926
2329 1 21 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.889 -0.899 17926
2330 1 21 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.698 0.272 17926
2331 1 21 . 1 1 87 87 ASP H H 66 7.180 7.180 8.066 -0.886 17926
2332 1 21 . 1 1 88 88 ASN N N 67 117.170 117.170 117.762 -0.592 17926
2333 1 21 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.149 -0.029 17926
2334 1 21 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.280 0.320 17926
2335 1 21 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.285 0.565 17926
2336 1 21 . 1 1 88 88 ASN H H 67 7.510 7.510 8.608 -1.098 17926
2337 1 21 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.605 -0.205 17926
2338 1 21 . 1 1 89 89 PRO C C 68 177.710 177.710 176.621 1.089 17926
2339 1 21 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.279 0.961 17926
2340 1 21 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.913 0.317 17926
2341 1 21 . 1 1 90 90 GLU N N 69 117.090 117.090 117.965 -0.875 17926
2342 1 21 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.235 0.155 17926
2343 1 21 . 1 1 90 90 GLU C C 69 177.110 177.110 176.412 0.698 17926
2344 1 21 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.887 -1.757 17926
2345 1 21 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.238 -1.388 17926
2346 1 21 . 1 1 90 90 GLU H H 69 8.740 8.740 8.142 0.598 17926
2347 1 21 . 1 1 91 91 THR N N 70 111.550 111.550 109.619 1.931 17926
2348 1 21 . 1 1 91 91 THR HA H 70 4.530 4.530 4.473 0.057 17926
2349 1 21 . 1 1 91 91 THR C C 70 176.260 176.260 174.648 1.612 17926
2350 1 21 . 1 1 91 91 THR CA C 70 61.400 61.400 63.386 -1.986 17926
2351 1 21 . 1 1 91 91 THR CB C 70 70.900 70.900 69.382 1.518 17926
2352 1 21 . 1 1 91 91 THR H H 70 7.350 7.350 7.869 -0.519 17926
2353 1 21 . 1 1 92 92 ASN N N 71 122.700 122.700 119.813 2.887 17926
2354 1 21 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.398 -0.018 17926
2355 1 21 . 1 1 92 92 ASN C C 71 177.720 177.720 176.278 1.442 17926
2356 1 21 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.360 0.400 17926
2357 1 21 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.157 0.173 17926
2358 1 21 . 1 1 92 92 ASN H H 71 9.140 9.140 8.352 0.788 17926
2359 1 21 . 1 1 93 93 GLU N N 72 118.080 118.080 117.080 1.000 17926
2360 1 21 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.615 -0.385 17926
2361 1 21 . 1 1 93 93 GLU C C 72 176.810 176.810 177.036 -0.226 17926
2362 1 21 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.319 2.341 17926
2363 1 21 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.499 -1.679 17926
2364 1 21 . 1 1 93 93 GLU H H 72 9.800 9.800 8.049 1.751 17926
2365 1 21 . 1 1 94 94 CYS N N 73 117.020 117.020 118.656 -1.636 17926
2366 1 21 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.838 0.002 17926
2367 1 21 . 1 1 94 94 CYS C C 73 175.280 175.280 175.586 -0.306 17926
2368 1 21 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.060 -2.690 17926
2369 1 21 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.821 13.789 17926
2370 1 21 . 1 1 94 94 CYS H H 73 7.690 7.690 8.111 -0.421 17926
2371 1 21 . 1 1 95 95 ARG N N 74 121.930 121.930 119.238 2.692 17926
2372 1 21 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.187 0.213 17926
2373 1 21 . 1 1 95 95 ARG C C 74 176.500 176.500 177.098 -0.598 17926
2374 1 21 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.350 -0.230 17926
2375 1 21 . 1 1 95 95 ARG CB C 74 30.760 30.760 29.799 0.961 17926
2376 1 21 . 1 1 95 95 ARG H H 74 7.790 7.790 7.895 -0.105 17926
2377 1 21 . 1 1 96 96 THR N N 75 113.200 113.200 116.348 -3.148 17926
2378 1 21 . 1 1 96 96 THR HA H 75 4.340 4.340 4.158 0.182 17926
2379 1 21 . 1 1 96 96 THR C C 75 174.100 174.100 174.742 -0.642 17926
2380 1 21 . 1 1 96 96 THR CA C 75 61.720 61.720 63.312 -1.593 17926
2381 1 21 . 1 1 96 96 THR CB C 75 69.700 69.700 69.369 0.331 17926
2382 1 21 . 1 1 96 96 THR H H 75 8.100 8.100 7.891 0.209 17926
2383 1 21 . 1 1 97 97 TYR N N 76 121.920 121.920 119.917 2.003 17926
2384 1 21 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.481 0.109 17926
2385 1 21 . 1 1 97 97 TYR C C 76 175.280 175.280 176.813 -1.533 17926
2386 1 21 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.427 -2.507 17926
2387 1 21 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.933 0.147 17926
2388 1 21 . 1 1 97 97 TYR H H 76 8.060 8.060 8.396 -0.336 17926
2389 1 21 . 1 1 98 98 ASP N N 77 122.130 122.130 120.132 1.998 17926
2390 1 21 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.650 -0.020 17926
2391 1 21 . 1 1 98 98 ASP C C 77 174.820 174.820 176.566 -1.746 17926
2392 1 21 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.485 -0.185 17926
2393 1 21 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.314 -0.114 17926
2394 1 21 . 1 1 98 98 ASP H H 77 8.310 8.310 8.409 -0.099 17926
2395 1 22 . 1 1 79 79 ASP N N 58 123.580 123.580 122.406 1.174 17926
2396 1 22 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.752 0.218 17926
2397 1 22 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.455 -1.415 17926
2398 1 22 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.458 0.382 17926
2399 1 22 . 1 1 79 79 ASP H H 58 8.600 8.600 8.271 0.330 17926
2400 1 22 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.252 0.188 17926
2401 1 22 . 1 1 80 80 PRO C C 59 178.090 178.090 177.475 0.615 17926
2402 1 22 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.742 -0.612 17926
2403 1 22 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.766 0.444 17926
2404 1 22 . 1 1 81 81 LEU N N 60 120.900 120.900 117.700 3.200 17926
2405 1 22 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.917 0.423 17926
2406 1 22 . 1 1 81 81 LEU C C 60 177.750 177.750 178.779 -1.029 17926
2407 1 22 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.415 -1.265 17926
2408 1 22 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.245 0.435 17926
2409 1 22 . 1 1 81 81 LEU H H 60 8.430 8.430 7.603 0.827 17926
2410 1 22 . 1 1 82 82 GLU N N 61 120.390 120.390 120.263 0.127 17926
2411 1 22 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.858 0.052 17926
2412 1 22 . 1 1 82 82 GLU C C 61 178.630 178.630 178.799 -0.169 17926
2413 1 22 . 1 1 82 82 GLU CA C 61 59.450 59.450 60.084 -0.634 17926
2414 1 22 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.564 0.096 17926
2415 1 22 . 1 1 82 82 GLU H H 61 7.960 7.960 8.460 -0.500 17926
2416 1 22 . 1 1 83 83 GLU N N 62 118.100 118.100 118.857 -0.757 17926
2417 1 22 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.080 0.040 17926
2418 1 22 . 1 1 83 83 GLU C C 62 178.320 178.320 179.126 -0.806 17926
2419 1 22 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.066 -2.416 17926
2420 1 22 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.334 0.246 17926
2421 1 22 . 1 1 83 83 GLU H H 62 8.150 8.150 8.522 -0.372 17926
2422 1 22 . 1 1 84 84 TYR N N 63 120.940 120.940 120.863 0.077 17926
2423 1 22 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.175 0.115 17926
2424 1 22 . 1 1 84 84 TYR C C 63 178.780 178.780 178.143 0.637 17926
2425 1 22 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.658 -0.148 17926
2426 1 22 . 1 1 84 84 TYR CB C 63 38.590 38.590 37.980 0.610 17926
2427 1 22 . 1 1 84 84 TYR H H 63 8.080 8.080 7.696 0.384 17926
2428 1 22 . 1 1 85 85 CYS N N 64 116.400 116.400 116.823 -0.423 17926
2429 1 22 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.615 -0.075 17926
2430 1 22 . 1 1 85 85 CYS C C 64 176.760 176.760 177.173 -0.413 17926
2431 1 22 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.524 -6.294 17926
2432 1 22 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.679 10.891 17926
2433 1 22 . 1 1 85 85 CYS H H 64 8.810 8.810 8.064 0.746 17926
2434 1 22 . 1 1 86 86 LYS N N 65 121.420 121.420 120.449 0.971 17926
2435 1 22 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.067 0.003 17926
2436 1 22 . 1 1 86 86 LYS C C 65 177.870 177.870 177.634 0.236 17926
2437 1 22 . 1 1 86 86 LYS CA C 65 59.050 59.050 59.197 -0.147 17926
2438 1 22 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.243 -0.243 17926
2439 1 22 . 1 1 86 86 LYS H H 65 7.700 7.700 7.615 0.085 17926
2440 1 22 . 1 1 87 87 ASP N N 66 116.020 116.020 117.621 -1.601 17926
2441 1 22 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.588 0.092 17926
2442 1 22 . 1 1 87 87 ASP C C 66 175.740 175.740 176.752 -1.012 17926
2443 1 22 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.502 -0.512 17926
2444 1 22 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.889 0.081 17926
2445 1 22 . 1 1 87 87 ASP H H 66 7.180 7.180 8.010 -0.830 17926
2446 1 22 . 1 1 88 88 ASN N N 67 117.170 117.170 117.890 -0.720 17926
2447 1 22 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.146 -0.026 17926
2448 1 22 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.324 0.276 17926
2449 1 22 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.325 0.525 17926
2450 1 22 . 1 1 88 88 ASN H H 67 7.510 7.510 8.641 -1.131 17926
2451 1 22 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.616 -0.216 17926
2452 1 22 . 1 1 89 89 PRO C C 68 177.710 177.710 176.697 1.013 17926
2453 1 22 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.284 0.956 17926
2454 1 22 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.913 0.317 17926
2455 1 22 . 1 1 90 90 GLU N N 69 117.090 117.090 117.997 -0.907 17926
2456 1 22 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.298 0.092 17926
2457 1 22 . 1 1 90 90 GLU C C 69 177.110 177.110 176.491 0.619 17926
2458 1 22 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.908 -1.778 17926
2459 1 22 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.258 -1.408 17926
2460 1 22 . 1 1 90 90 GLU H H 69 8.740 8.740 8.172 0.568 17926
2461 1 22 . 1 1 91 91 THR N N 70 111.550 111.550 109.452 2.098 17926
2462 1 22 . 1 1 91 91 THR HA H 70 4.530 4.530 4.466 0.064 17926
2463 1 22 . 1 1 91 91 THR C C 70 176.260 176.260 174.743 1.517 17926
2464 1 22 . 1 1 91 91 THR CA C 70 61.400 61.400 63.330 -1.930 17926
2465 1 22 . 1 1 91 91 THR CB C 70 70.900 70.900 69.535 1.365 17926
2466 1 22 . 1 1 91 91 THR H H 70 7.350 7.350 7.864 -0.514 17926
2467 1 22 . 1 1 92 92 ASN N N 71 122.700 122.700 120.115 2.585 17926
2468 1 22 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.384 -0.004 17926
2469 1 22 . 1 1 92 92 ASN C C 71 177.720 177.720 176.335 1.385 17926
2470 1 22 . 1 1 92 92 ASN CA C 71 56.760 56.760 56.292 0.468 17926
2471 1 22 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.196 0.134 17926
2472 1 22 . 1 1 92 92 ASN H H 71 9.140 9.140 8.450 0.690 17926
2473 1 22 . 1 1 93 93 GLU N N 72 118.080 118.080 116.704 1.376 17926
2474 1 22 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.609 -0.379 17926
2475 1 22 . 1 1 93 93 GLU C C 72 176.810 176.810 177.279 -0.469 17926
2476 1 22 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.637 2.023 17926
2477 1 22 . 1 1 93 93 GLU CB C 72 28.820 28.820 30.197 -1.377 17926
2478 1 22 . 1 1 93 93 GLU H H 72 9.800 9.800 8.114 1.686 17926
2479 1 22 . 1 1 94 94 CYS N N 73 117.020 117.020 118.882 -1.862 17926
2480 1 22 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.854 -0.014 17926
2481 1 22 . 1 1 94 94 CYS C C 73 175.280 175.280 175.970 -0.690 17926
2482 1 22 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.101 -2.731 17926
2483 1 22 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.650 13.960 17926
2484 1 22 . 1 1 94 94 CYS H H 73 7.690 7.690 8.145 -0.455 17926
2485 1 22 . 1 1 95 95 ARG N N 74 121.930 121.930 119.269 2.661 17926
2486 1 22 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.383 0.017 17926
2487 1 22 . 1 1 95 95 ARG C C 74 176.500 176.500 177.093 -0.593 17926
2488 1 22 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.712 -0.592 17926
2489 1 22 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.563 0.197 17926
2490 1 22 . 1 1 95 95 ARG H H 74 7.790 7.790 8.057 -0.267 17926
2491 1 22 . 1 1 96 96 THR N N 75 113.200 113.200 113.299 -0.099 17926
2492 1 22 . 1 1 96 96 THR HA H 75 4.340 4.340 3.877 0.463 17926
2493 1 22 . 1 1 96 96 THR C C 75 174.100 174.100 175.413 -1.313 17926
2494 1 22 . 1 1 96 96 THR CA C 75 61.720 61.720 65.719 -3.999 17926
2495 1 22 . 1 1 96 96 THR CB C 75 69.700 69.700 67.267 2.433 17926
2496 1 22 . 1 1 96 96 THR H H 75 8.100 8.100 7.859 0.241 17926
2497 1 22 . 1 1 97 97 TYR N N 76 121.920 121.920 122.486 -0.566 17926
2498 1 22 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.296 0.294 17926
2499 1 22 . 1 1 97 97 TYR C C 76 175.280 175.280 176.496 -1.216 17926
2500 1 22 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.230 -2.309 17926
2501 1 22 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.779 0.301 17926
2502 1 22 . 1 1 97 97 TYR H H 76 8.060 8.060 8.327 -0.267 17926
2503 1 22 . 1 1 98 98 ASP N N 77 122.130 122.130 118.184 3.946 17926
2504 1 22 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.499 0.131 17926
2505 1 22 . 1 1 98 98 ASP C C 77 174.820 174.820 174.358 0.462 17926
2506 1 22 . 1 1 98 98 ASP CA C 77 54.300 54.300 55.002 -0.702 17926
2507 1 22 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.761 -0.561 17926
2508 1 22 . 1 1 98 98 ASP H H 77 8.310 8.310 8.467 -0.157 17926
2509 1 23 . 1 1 79 79 ASP N N 58 123.580 123.580 122.546 1.034 17926
2510 1 23 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.852 0.118 17926
2511 1 23 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.804 -0.764 17926
2512 1 23 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.406 0.435 17926
2513 1 23 . 1 1 79 79 ASP H H 58 8.600 8.600 8.410 0.190 17926
2514 1 23 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.263 0.177 17926
2515 1 23 . 1 1 80 80 PRO C C 59 178.090 178.090 178.080 0.010 17926
2516 1 23 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.853 -0.723 17926
2517 1 23 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.954 0.256 17926
2518 1 23 . 1 1 81 81 LEU N N 60 120.900 120.900 119.518 1.382 17926
2519 1 23 . 1 1 81 81 LEU HA H 60 4.340 4.340 4.065 0.275 17926
2520 1 23 . 1 1 81 81 LEU C C 60 177.750 177.750 178.626 -0.876 17926
2521 1 23 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.777 -1.627 17926
2522 1 23 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.792 -0.112 17926
2523 1 23 . 1 1 81 81 LEU H H 60 8.430 8.430 7.654 0.776 17926
2524 1 23 . 1 1 82 82 GLU N N 61 120.390 120.390 119.434 0.956 17926
2525 1 23 . 1 1 82 82 GLU HA H 61 3.910 3.910 4.063 -0.153 17926
2526 1 23 . 1 1 82 82 GLU C C 61 178.630 178.630 179.079 -0.449 17926
2527 1 23 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.355 0.095 17926
2528 1 23 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.570 0.090 17926
2529 1 23 . 1 1 82 82 GLU H H 61 7.960 7.960 8.415 -0.455 17926
2530 1 23 . 1 1 83 83 GLU N N 62 118.100 118.100 119.239 -1.139 17926
2531 1 23 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.092 0.028 17926
2532 1 23 . 1 1 83 83 GLU C C 62 178.320 178.320 179.218 -0.898 17926
2533 1 23 . 1 1 83 83 GLU CA C 62 56.650 56.650 58.966 -2.316 17926
2534 1 23 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.151 0.429 17926
2535 1 23 . 1 1 83 83 GLU H H 62 8.150 8.150 7.943 0.207 17926
2536 1 23 . 1 1 84 84 TYR N N 63 120.940 120.940 120.620 0.320 17926
2537 1 23 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.244 0.046 17926
2538 1 23 . 1 1 84 84 TYR C C 63 178.780 178.780 177.659 1.121 17926
2539 1 23 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.839 -0.329 17926
2540 1 23 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.309 0.281 17926
2541 1 23 . 1 1 84 84 TYR H H 63 8.080 8.080 7.830 0.250 17926
2542 1 23 . 1 1 85 85 CYS N N 64 116.400 116.400 117.146 -0.746 17926
2543 1 23 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.452 0.088 17926
2544 1 23 . 1 1 85 85 CYS C C 64 176.760 176.760 177.391 -0.631 17926
2545 1 23 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.157 -5.927 17926
2546 1 23 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.544 11.026 17926
2547 1 23 . 1 1 85 85 CYS H H 64 8.810 8.810 8.067 0.743 17926
2548 1 23 . 1 1 86 86 LYS N N 65 121.420 121.420 119.404 2.016 17926
2549 1 23 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.207 -0.138 17926
2550 1 23 . 1 1 86 86 LYS C C 65 177.870 177.870 177.483 0.387 17926
2551 1 23 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.684 0.366 17926
2552 1 23 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.342 -0.341 17926
2553 1 23 . 1 1 86 86 LYS H H 65 7.700 7.700 7.424 0.276 17926
2554 1 23 . 1 1 87 87 ASP N N 66 116.020 116.020 118.126 -2.106 17926
2555 1 23 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.723 -0.043 17926
2556 1 23 . 1 1 87 87 ASP C C 66 175.740 175.740 176.178 -0.438 17926
2557 1 23 . 1 1 87 87 ASP CA C 66 54.990 54.990 54.432 0.558 17926
2558 1 23 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.687 0.284 17926
2559 1 23 . 1 1 87 87 ASP H H 66 7.180 7.180 8.083 -0.903 17926
2560 1 23 . 1 1 88 88 ASN N N 67 117.170 117.170 119.914 -2.744 17926
2561 1 23 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.068 0.052 17926
2562 1 23 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.190 0.410 17926
2563 1 23 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.257 0.593 17926
2564 1 23 . 1 1 88 88 ASN H H 67 7.510 7.510 8.368 -0.858 17926
2565 1 23 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.120 0.280 17926
2566 1 23 . 1 1 89 89 PRO C C 68 177.710 177.710 177.163 0.547 17926
2567 1 23 . 1 1 89 89 PRO CA C 68 65.240 65.240 65.700 -0.460 17926
2568 1 23 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.655 0.574 17926
2569 1 23 . 1 1 90 90 GLU N N 69 117.090 117.090 114.007 3.083 17926
2570 1 23 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.383 0.007 17926
2571 1 23 . 1 1 90 90 GLU C C 69 177.110 177.110 176.183 0.927 17926
2572 1 23 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.595 -1.465 17926
2573 1 23 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.143 -1.293 17926
2574 1 23 . 1 1 90 90 GLU H H 69 8.740 8.740 8.552 0.188 17926
2575 1 23 . 1 1 91 91 THR N N 70 111.550 111.550 110.304 1.246 17926
2576 1 23 . 1 1 91 91 THR HA H 70 4.530 4.530 4.479 0.051 17926
2577 1 23 . 1 1 91 91 THR C C 70 176.260 176.260 175.037 1.223 17926
2578 1 23 . 1 1 91 91 THR CA C 70 61.400 61.400 62.685 -1.285 17926
2579 1 23 . 1 1 91 91 THR CB C 70 70.900 70.900 69.112 1.788 17926
2580 1 23 . 1 1 91 91 THR H H 70 7.350 7.350 7.795 -0.445 17926
2581 1 23 . 1 1 92 92 ASN N N 71 122.700 122.700 121.175 1.525 17926
2582 1 23 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.736 -0.356 17926
2583 1 23 . 1 1 92 92 ASN C C 71 177.720 177.720 176.790 0.930 17926
2584 1 23 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.817 1.943 17926
2585 1 23 . 1 1 92 92 ASN CB C 71 38.330 38.330 39.207 -0.877 17926
2586 1 23 . 1 1 92 92 ASN H H 71 9.140 9.140 8.977 0.163 17926
2587 1 23 . 1 1 93 93 GLU N N 72 118.080 118.080 117.249 0.831 17926
2588 1 23 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.477 -0.247 17926
2589 1 23 . 1 1 93 93 GLU C C 72 176.810 176.810 177.712 -0.902 17926
2590 1 23 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.864 1.796 17926
2591 1 23 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.463 -0.643 17926
2592 1 23 . 1 1 93 93 GLU H H 72 9.800 9.800 7.793 2.007 17926
2593 1 23 . 1 1 94 94 CYS N N 73 117.020 117.020 119.178 -2.158 17926
2594 1 23 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.210 0.630 17926
2595 1 23 . 1 1 94 94 CYS C C 73 175.280 175.280 176.001 -0.721 17926
2596 1 23 . 1 1 94 94 CYS CA C 73 55.370 55.370 61.030 -5.660 17926
2597 1 23 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.265 13.345 17926
2598 1 23 . 1 1 94 94 CYS H H 73 7.690 7.690 8.461 -0.771 17926
2599 1 23 . 1 1 95 95 ARG N N 74 121.930 121.930 120.364 1.566 17926
2600 1 23 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.210 0.190 17926
2601 1 23 . 1 1 95 95 ARG C C 74 176.500 176.500 176.487 0.013 17926
2602 1 23 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.411 -0.291 17926
2603 1 23 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.069 0.691 17926
2604 1 23 . 1 1 95 95 ARG H H 74 7.790 7.790 7.806 -0.016 17926
2605 1 23 . 1 1 96 96 THR N N 75 113.200 113.200 116.700 -3.500 17926
2606 1 23 . 1 1 96 96 THR HA H 75 4.340 4.340 4.183 0.158 17926
2607 1 23 . 1 1 96 96 THR C C 75 174.100 174.100 173.760 0.340 17926
2608 1 23 . 1 1 96 96 THR CA C 75 61.720 61.720 61.596 0.124 17926
2609 1 23 . 1 1 96 96 THR CB C 75 69.700 69.700 69.542 0.158 17926
2610 1 23 . 1 1 96 96 THR H H 75 8.100 8.100 7.589 0.511 17926
2611 1 23 . 1 1 97 97 TYR N N 76 121.920 121.920 117.711 4.209 17926
2612 1 23 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.420 0.170 17926
2613 1 23 . 1 1 97 97 TYR C C 76 175.280 175.280 175.684 -0.404 17926
2614 1 23 . 1 1 97 97 TYR CA C 76 57.920 57.920 58.085 -0.165 17926
2615 1 23 . 1 1 97 97 TYR CB C 76 39.080 39.080 38.380 0.700 17926
2616 1 23 . 1 1 97 97 TYR H H 76 8.060 8.060 6.916 1.144 17926
2617 1 23 . 1 1 98 98 ASP N N 77 122.130 122.130 119.631 2.499 17926
2618 1 23 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.739 -0.109 17926
2619 1 23 . 1 1 98 98 ASP C C 77 174.820 174.820 175.408 -0.588 17926
2620 1 23 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.106 0.194 17926
2621 1 23 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.043 0.157 17926
2622 1 23 . 1 1 98 98 ASP H H 77 8.310 8.310 8.630 -0.320 17926
2623 1 24 . 1 1 79 79 ASP N N 58 123.580 123.580 122.893 0.687 17926
2624 1 24 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.805 0.165 17926
2625 1 24 . 1 1 79 79 ASP CA C 58 52.040 52.040 52.968 -0.928 17926
2626 1 24 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.289 0.551 17926
2627 1 24 . 1 1 79 79 ASP H H 58 8.600 8.600 8.288 0.312 17926
2628 1 24 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.316 0.124 17926
2629 1 24 . 1 1 80 80 PRO C C 59 178.090 178.090 177.374 0.716 17926
2630 1 24 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.606 -0.476 17926
2631 1 24 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.977 0.233 17926
2632 1 24 . 1 1 81 81 LEU N N 60 120.900 120.900 117.691 3.209 17926
2633 1 24 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.869 0.471 17926
2634 1 24 . 1 1 81 81 LEU C C 60 177.750 177.750 178.241 -0.491 17926
2635 1 24 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.520 -1.370 17926
2636 1 24 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.377 0.304 17926
2637 1 24 . 1 1 81 81 LEU H H 60 8.430 8.430 7.544 0.886 17926
2638 1 24 . 1 1 82 82 GLU N N 61 120.390 120.390 118.644 1.746 17926
2639 1 24 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.701 0.209 17926
2640 1 24 . 1 1 82 82 GLU C C 61 178.630 178.630 178.599 0.031 17926
2641 1 24 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.210 0.240 17926
2642 1 24 . 1 1 82 82 GLU CB C 61 29.660 29.660 28.876 0.784 17926
2643 1 24 . 1 1 82 82 GLU H H 61 7.960 7.960 7.781 0.179 17926
2644 1 24 . 1 1 83 83 GLU N N 62 118.100 118.100 118.532 -0.432 17926
2645 1 24 . 1 1 83 83 GLU HA H 62 4.120 4.120 3.903 0.217 17926
2646 1 24 . 1 1 83 83 GLU C C 62 178.320 178.320 179.105 -0.785 17926
2647 1 24 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.673 -3.023 17926
2648 1 24 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.406 0.174 17926
2649 1 24 . 1 1 83 83 GLU H H 62 8.150 8.150 7.485 0.665 17926
2650 1 24 . 1 1 84 84 TYR N N 63 120.940 120.940 115.709 5.231 17926
2651 1 24 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.613 -0.323 17926
2652 1 24 . 1 1 84 84 TYR C C 63 178.780 178.780 177.604 1.176 17926
2653 1 24 . 1 1 84 84 TYR CA C 63 61.510 61.510 59.338 2.172 17926
2654 1 24 . 1 1 84 84 TYR CB C 63 38.590 38.590 36.867 1.723 17926
2655 1 24 . 1 1 84 84 TYR H H 63 8.080 8.080 7.290 0.790 17926
2656 1 24 . 1 1 85 85 CYS N N 64 116.400 116.400 119.480 -3.080 17926
2657 1 24 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.224 0.316 17926
2658 1 24 . 1 1 85 85 CYS C C 64 176.760 176.760 176.659 0.101 17926
2659 1 24 . 1 1 85 85 CYS CA C 64 55.230 55.230 63.319 -8.088 17926
2660 1 24 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.731 10.839 17926
2661 1 24 . 1 1 85 85 CYS H H 64 8.810 8.810 7.334 1.476 17926
2662 1 24 . 1 1 86 86 LYS N N 65 121.420 121.420 117.886 3.534 17926
2663 1 24 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.211 -0.141 17926
2664 1 24 . 1 1 86 86 LYS C C 65 177.870 177.870 177.886 -0.016 17926
2665 1 24 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.655 0.395 17926
2666 1 24 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.579 -0.579 17926
2667 1 24 . 1 1 86 86 LYS H H 65 7.700 7.700 7.802 -0.102 17926
2668 1 24 . 1 1 87 87 ASP N N 66 116.020 116.020 118.655 -2.635 17926
2669 1 24 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.529 0.151 17926
2670 1 24 . 1 1 87 87 ASP C C 66 175.740 175.740 177.299 -1.559 17926
2671 1 24 . 1 1 87 87 ASP CA C 66 54.990 54.990 56.034 -1.044 17926
2672 1 24 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.033 0.937 17926
2673 1 24 . 1 1 87 87 ASP H H 66 7.180 7.180 8.100 -0.920 17926
2674 1 24 . 1 1 88 88 ASN N N 67 117.170 117.170 119.184 -2.014 17926
2675 1 24 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.055 0.065 17926
2676 1 24 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.198 0.402 17926
2677 1 24 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.027 0.823 17926
2678 1 24 . 1 1 88 88 ASN H H 67 7.510 7.510 8.741 -1.231 17926
2679 1 24 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.394 0.006 17926
2680 1 24 . 1 1 89 89 PRO C C 68 177.710 177.710 176.862 0.848 17926
2681 1 24 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.907 0.333 17926
2682 1 24 . 1 1 89 89 PRO CB C 68 32.230 32.230 32.163 0.067 17926
2683 1 24 . 1 1 90 90 GLU N N 69 117.090 117.090 118.072 -0.982 17926
2684 1 24 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.451 -0.061 17926
2685 1 24 . 1 1 90 90 GLU C C 69 177.110 177.110 176.764 0.346 17926
2686 1 24 . 1 1 90 90 GLU CA C 69 56.130 56.130 58.393 -2.263 17926
2687 1 24 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.476 -1.626 17926
2688 1 24 . 1 1 90 90 GLU H H 69 8.740 8.740 8.485 0.255 17926
2689 1 24 . 1 1 91 91 THR N N 70 111.550 111.550 110.217 1.333 17926
2690 1 24 . 1 1 91 91 THR HA H 70 4.530 4.530 4.410 0.120 17926
2691 1 24 . 1 1 91 91 THR C C 70 176.260 176.260 174.573 1.687 17926
2692 1 24 . 1 1 91 91 THR CA C 70 61.400 61.400 63.611 -2.211 17926
2693 1 24 . 1 1 91 91 THR CB C 70 70.900 70.900 70.215 0.685 17926
2694 1 24 . 1 1 91 91 THR H H 70 7.350 7.350 8.240 -0.890 17926
2695 1 24 . 1 1 92 92 ASN N N 71 122.700 122.700 119.372 3.328 17926
2696 1 24 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.452 -0.072 17926
2697 1 24 . 1 1 92 92 ASN C C 71 177.720 177.720 176.515 1.205 17926
2698 1 24 . 1 1 92 92 ASN CA C 71 56.760 56.760 54.498 2.262 17926
2699 1 24 . 1 1 92 92 ASN CB C 71 38.330 38.330 37.705 0.625 17926
2700 1 24 . 1 1 92 92 ASN H H 71 9.140 9.140 8.692 0.448 17926
2701 1 24 . 1 1 93 93 GLU N N 72 118.080 118.080 119.810 -1.730 17926
2702 1 24 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.433 -0.203 17926
2703 1 24 . 1 1 93 93 GLU C C 72 176.810 176.810 176.366 0.444 17926
2704 1 24 . 1 1 93 93 GLU CA C 72 58.660 58.660 58.708 -0.048 17926
2705 1 24 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.526 -0.706 17926
2706 1 24 . 1 1 93 93 GLU H H 72 9.800 9.800 8.448 1.352 17926
2707 1 24 . 1 1 94 94 CYS N N 73 117.020 117.020 116.903 0.117 17926
2708 1 24 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.926 -0.086 17926
2709 1 24 . 1 1 94 94 CYS C C 73 175.280 175.280 175.891 -0.611 17926
2710 1 24 . 1 1 94 94 CYS CA C 73 55.370 55.370 58.627 -3.257 17926
2711 1 24 . 1 1 94 94 CYS CB C 73 39.610 39.610 26.603 13.007 17926
2712 1 24 . 1 1 94 94 CYS H H 73 7.690 7.690 7.935 -0.245 17926
2713 1 24 . 1 1 95 95 ARG N N 74 121.930 121.930 120.651 1.279 17926
2714 1 24 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.487 -0.087 17926
2715 1 24 . 1 1 95 95 ARG C C 74 176.500 176.500 177.628 -1.128 17926
2716 1 24 . 1 1 95 95 ARG CA C 74 57.120 57.120 58.434 -1.314 17926
2717 1 24 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.681 0.079 17926
2718 1 24 . 1 1 95 95 ARG H H 74 7.790 7.790 7.901 -0.111 17926
2719 1 24 . 1 1 96 96 THR N N 75 113.200 113.200 113.772 -0.572 17926
2720 1 24 . 1 1 96 96 THR HA H 75 4.340 4.340 4.040 0.300 17926
2721 1 24 . 1 1 96 96 THR C C 75 174.100 174.100 174.960 -0.860 17926
2722 1 24 . 1 1 96 96 THR CA C 75 61.720 61.720 65.557 -3.837 17926
2723 1 24 . 1 1 96 96 THR CB C 75 69.700 69.700 69.078 0.622 17926
2724 1 24 . 1 1 96 96 THR H H 75 8.100 8.100 7.851 0.249 17926
2725 1 24 . 1 1 97 97 TYR N N 76 121.920 121.920 119.336 2.584 17926
2726 1 24 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.087 0.503 17926
2727 1 24 . 1 1 97 97 TYR C C 76 175.280 175.280 174.941 0.339 17926
2728 1 24 . 1 1 97 97 TYR CA C 76 57.920 57.920 60.449 -2.529 17926
2729 1 24 . 1 1 97 97 TYR CB C 76 39.080 39.080 37.099 1.981 17926
2730 1 24 . 1 1 97 97 TYR H H 76 8.060 8.060 8.361 -0.301 17926
2731 1 24 . 1 1 98 98 ASP N N 77 122.130 122.130 122.692 -0.562 17926
2732 1 24 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.030 0.600 17926
2733 1 24 . 1 1 98 98 ASP C C 77 174.820 174.820 176.616 -1.796 17926
2734 1 24 . 1 1 98 98 ASP CA C 77 54.300 54.300 53.398 0.902 17926
2735 1 24 . 1 1 98 98 ASP CB C 77 41.200 41.200 40.938 0.262 17926
2736 1 24 . 1 1 98 98 ASP H H 77 8.310 8.310 7.911 0.399 17926
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 18 1.354 -0.202 1.377 17926
2 1 1 "Average Difference" HA 20 0.213 -0.058 0.211 17926
3 1 1 "Average Difference" C 18 0.776 -0.092 0.793 17926
4 1 1 "Average Difference" CA 20 2.241 0.901 2.105 17926
5 1 1 "Average Difference" CB 20 3.955 -1.211 3.863 17926
6 1 1 "Average Difference" HN 18 0.708 -0.088 0.723 17926
7 1 2 "Average Difference" N 18 1.469 -0.389 1.458 17926
8 1 2 "Average Difference" HA 20 0.143 -0.019 0.146 17926
9 1 2 "Average Difference" C 18 0.782 -0.067 0.801 17926
10 1 2 "Average Difference" CA 20 2.028 1.039 1.787 17926
11 1 2 "Average Difference" CB 20 3.979 -1.224 3.884 17926
12 1 2 "Average Difference" HN 18 0.669 -0.066 0.685 17926
13 1 3 "Average Difference" N 18 1.630 -0.611 1.555 17926
14 1 3 "Average Difference" HA 20 0.191 -0.079 0.178 17926
15 1 3 "Average Difference" C 18 0.858 -0.062 0.881 17926
16 1 3 "Average Difference" CA 20 2.080 0.691 2.013 17926
17 1 3 "Average Difference" CB 20 4.206 -1.568 4.004 17926
18 1 3 "Average Difference" HN 18 0.720 -0.130 0.728 17926
19 1 4 "Average Difference" N 18 1.979 -0.594 1.942 17926
20 1 4 "Average Difference" HA 20 0.189 -0.059 0.185 17926
21 1 4 "Average Difference" C 18 0.835 -0.075 0.856 17926
22 1 4 "Average Difference" CA 20 1.817 0.873 1.635 17926
23 1 4 "Average Difference" CB 20 3.999 -1.254 3.896 17926
24 1 4 "Average Difference" HN 18 0.624 -0.043 0.640 17926
25 1 5 "Average Difference" N 18 2.017 -0.697 1.948 17926
26 1 5 "Average Difference" HA 20 0.172 -0.019 0.176 17926
27 1 5 "Average Difference" C 18 0.684 -0.151 0.686 17926
28 1 5 "Average Difference" CA 20 1.901 0.826 1.757 17926
29 1 5 "Average Difference" CB 20 4.045 -1.274 3.939 17926
30 1 5 "Average Difference" HN 18 0.636 -0.085 0.649 17926
31 1 6 "Average Difference" N 18 2.194 -0.883 2.066 17926
32 1 6 "Average Difference" HA 20 0.119 -0.034 0.117 17926
33 1 6 "Average Difference" C 18 0.776 -0.190 0.774 17926
34 1 6 "Average Difference" CA 20 2.045 0.984 1.839 17926
35 1 6 "Average Difference" CB 20 4.136 -1.383 3.999 17926
36 1 6 "Average Difference" HN 18 0.632 -0.036 0.650 17926
37 1 7 "Average Difference" N 18 1.842 -0.669 1.766 17926
38 1 7 "Average Difference" HA 20 0.181 -0.008 0.186 17926
39 1 7 "Average Difference" C 18 0.782 0.069 0.802 17926
40 1 7 "Average Difference" CA 20 2.028 0.978 1.823 17926
41 1 7 "Average Difference" CB 20 4.024 -1.204 3.939 17926
42 1 7 "Average Difference" HN 18 0.620 -0.078 0.633 17926
43 1 8 "Average Difference" N 18 2.225 -0.697 2.174 17926
44 1 8 "Average Difference" HA 20 0.194 -0.030 0.197 17926
45 1 8 "Average Difference" C 18 0.715 -0.069 0.733 17926
46 1 8 "Average Difference" CA 20 2.123 0.959 1.943 17926
47 1 8 "Average Difference" CB 20 3.893 -1.292 3.767 17926
48 1 8 "Average Difference" HN 18 0.706 -0.098 0.720 17926
49 1 9 "Average Difference" N 18 2.204 -0.505 2.207 17926
50 1 9 "Average Difference" HA 20 0.219 -0.059 0.216 17926
51 1 9 "Average Difference" C 18 0.823 0.079 0.843 17926
52 1 9 "Average Difference" CA 20 2.416 1.125 2.194 17926
53 1 9 "Average Difference" CB 20 3.973 -1.338 3.839 17926
54 1 9 "Average Difference" HN 18 0.699 -0.156 0.701 17926
55 1 10 "Average Difference" N 18 2.063 -0.998 1.858 17926
56 1 10 "Average Difference" HA 20 0.206 -0.101 0.184 17926
57 1 10 "Average Difference" C 18 0.816 -0.224 0.807 17926
58 1 10 "Average Difference" CA 20 2.014 0.971 1.810 17926
59 1 10 "Average Difference" CB 20 3.939 -1.253 3.831 17926
60 1 10 "Average Difference" HN 18 0.690 -0.079 0.706 17926
61 1 11 "Average Difference" N 18 2.032 -0.781 1.930 17926
62 1 11 "Average Difference" HA 20 0.240 -0.055 0.240 17926
63 1 11 "Average Difference" C 18 0.633 -0.002 0.652 17926
64 1 11 "Average Difference" CA 20 2.282 1.043 2.082 17926
65 1 11 "Average Difference" CB 20 3.988 -1.242 3.889 17926
66 1 11 "Average Difference" HN 18 0.686 -0.110 0.697 17926
67 1 12 "Average Difference" N 18 1.827 -0.731 1.723 17926
68 1 12 "Average Difference" HA 20 0.242 -0.091 0.230 17926
69 1 12 "Average Difference" C 18 0.842 0.178 0.847 17926
70 1 12 "Average Difference" CA 20 2.420 1.325 2.078 17926
71 1 12 "Average Difference" CB 20 4.025 -1.442 3.855 17926
72 1 12 "Average Difference" HN 18 0.689 -0.055 0.706 17926
73 1 13 "Average Difference" N 18 2.051 -0.558 2.031 17926
74 1 13 "Average Difference" HA 20 0.215 -0.133 0.173 17926
75 1 13 "Average Difference" C 18 0.877 0.101 0.896 17926
76 1 13 "Average Difference" CA 20 2.498 1.304 2.186 17926
77 1 13 "Average Difference" CB 20 4.122 -1.486 3.945 17926
78 1 13 "Average Difference" HN 18 0.735 -0.091 0.751 17926
79 1 14 "Average Difference" N 18 1.559 -0.341 1.565 17926
80 1 14 "Average Difference" HA 20 0.183 -0.022 0.186 17926
81 1 14 "Average Difference" C 18 0.750 -0.056 0.769 17926
82 1 14 "Average Difference" CA 20 1.917 0.811 1.783 17926
83 1 14 "Average Difference" CB 20 4.014 -1.222 3.923 17926
84 1 14 "Average Difference" HN 18 0.627 -0.060 0.642 17926
85 1 15 "Average Difference" N 18 2.188 -0.646 2.152 17926
86 1 15 "Average Difference" HA 20 0.223 -0.042 0.225 17926
87 1 15 "Average Difference" C 18 0.743 -0.073 0.761 17926
88 1 15 "Average Difference" CA 20 2.253 0.947 2.098 17926
89 1 15 "Average Difference" CB 20 4.041 -1.263 3.939 17926
90 1 15 "Average Difference" HN 18 0.704 -0.043 0.723 17926
91 1 16 "Average Difference" N 18 1.455 -0.292 1.467 17926
92 1 16 "Average Difference" HA 20 0.203 -0.064 0.197 17926
93 1 16 "Average Difference" C 18 0.930 0.100 0.951 17926
94 1 16 "Average Difference" CA 20 2.129 0.723 2.055 17926
95 1 16 "Average Difference" CB 20 4.222 -1.608 4.005 17926
96 1 16 "Average Difference" HN 18 0.763 -0.082 0.780 17926
97 1 17 "Average Difference" N 18 2.099 -0.727 2.026 17926
98 1 17 "Average Difference" HA 20 0.186 -0.061 0.181 17926
99 1 17 "Average Difference" C 18 0.819 -0.049 0.842 17926
100 1 17 "Average Difference" CA 20 2.027 1.014 1.801 17926
101 1 17 "Average Difference" CB 20 3.983 -1.254 3.879 17926
102 1 17 "Average Difference" HN 18 0.678 -0.091 0.691 17926
103 1 18 "Average Difference" N 18 1.474 -0.481 1.434 17926
104 1 18 "Average Difference" HA 20 0.226 -0.050 0.226 17926
105 1 18 "Average Difference" C 18 0.797 0.071 0.817 17926
106 1 18 "Average Difference" CA 20 1.984 0.985 1.767 17926
107 1 18 "Average Difference" CB 20 3.760 -1.210 3.653 17926
108 1 18 "Average Difference" HN 18 0.656 -0.075 0.671 17926
109 1 19 "Average Difference" N 18 1.769 -0.272 1.798 17926
110 1 19 "Average Difference" HA 20 0.212 -0.110 0.186 17926
111 1 19 "Average Difference" C 18 0.836 0.082 0.856 17926
112 1 19 "Average Difference" CA 20 2.202 0.913 2.056 17926
113 1 19 "Average Difference" CB 20 4.053 -1.410 3.899 17926
114 1 19 "Average Difference" HN 18 0.700 -0.114 0.710 17926
115 1 20 "Average Difference" N 18 1.834 -0.810 1.693 17926
116 1 20 "Average Difference" HA 20 0.252 -0.055 0.252 17926
117 1 20 "Average Difference" C 18 0.710 -0.056 0.729 17926
118 1 20 "Average Difference" CA 20 2.223 0.898 2.087 17926
119 1 20 "Average Difference" CB 20 3.960 -1.287 3.842 17926
120 1 20 "Average Difference" HN 18 0.655 0.008 0.673 17926
121 1 21 "Average Difference" N 18 1.740 -0.470 1.724 17926
122 1 21 "Average Difference" HA 20 0.159 -0.037 0.159 17926
123 1 21 "Average Difference" C 18 0.934 0.135 0.951 17926
124 1 21 "Average Difference" CA 20 2.026 0.996 1.811 17926
125 1 21 "Average Difference" CB 20 3.996 -1.380 3.847 17926
126 1 21 "Average Difference" HN 18 0.683 -0.102 0.695 17926
127 1 22 "Average Difference" N 18 1.774 -0.627 1.708 17926
128 1 22 "Average Difference" HA 20 0.202 -0.074 0.193 17926
129 1 22 "Average Difference" C 18 0.878 0.068 0.900 17926
130 1 22 "Average Difference" CA 20 2.144 1.188 1.831 17926
131 1 22 "Average Difference" CB 20 4.044 -1.441 3.876 17926
132 1 22 "Average Difference" HN 18 0.675 -0.059 0.692 17926
133 1 23 "Average Difference" N 18 2.099 -0.460 2.107 17926
134 1 23 "Average Difference" HA 20 0.217 -0.061 0.214 17926
135 1 23 "Average Difference" C 18 0.717 0.023 0.737 17926
136 1 23 "Average Difference" CA 20 2.100 0.776 2.002 17926
137 1 23 "Average Difference" CB 20 3.925 -1.377 3.771 17926
138 1 23 "Average Difference" HN 18 0.733 -0.149 0.739 17926
139 1 24 "Average Difference" N 18 2.358 -0.613 2.343 17926
140 1 24 "Average Difference" HA 20 0.264 -0.114 0.244 17926
141 1 24 "Average Difference" C 18 0.950 0.020 0.978 17926
142 1 24 "Average Difference" CA 20 2.581 1.184 2.353 17926
143 1 24 "Average Difference" CB 20 3.879 -1.539 3.654 17926
144 1 24 "Average Difference" HN 18 0.738 -0.178 0.737 17926
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 17926
_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 79 79 ASP N N 58 123.580 123.580 122.655 0.925 17926
2 1 . 1 1 79 79 ASP HA H 58 4.970 4.970 4.799 0.171 17926
3 1 . 1 1 79 79 ASP CA C 58 52.040 52.040 53.180 -1.140 17926
4 1 . 1 1 79 79 ASP CB C 58 41.840 41.840 41.399 0.441 17926
5 1 . 1 1 79 79 ASP H H 58 8.600 8.600 8.355 0.245 17926
6 1 . 1 1 80 80 PRO HA H 59 4.440 4.440 4.328 0.112 17926
7 1 . 1 1 80 80 PRO C C 59 178.090 178.090 177.839 0.251 17926
8 1 . 1 1 80 80 PRO CA C 59 64.130 64.130 64.711 -0.581 17926
9 1 . 1 1 80 80 PRO CB C 59 32.210 32.210 31.841 0.369 17926
10 1 . 1 1 81 81 LEU N N 60 120.900 120.900 117.731 3.169 17926
11 1 . 1 1 81 81 LEU HA H 60 4.340 4.340 3.993 0.347 17926
12 1 . 1 1 81 81 LEU C C 60 177.750 177.750 178.410 -0.660 17926
13 1 . 1 1 81 81 LEU CA C 60 56.150 56.150 57.729 -1.579 17926
14 1 . 1 1 81 81 LEU CB C 60 41.680 41.680 41.446 0.234 17926
15 1 . 1 1 81 81 LEU H H 60 8.430 8.430 7.644 0.786 17926
16 1 . 1 1 82 82 GLU N N 61 120.390 120.390 119.461 0.929 17926
17 1 . 1 1 82 82 GLU HA H 61 3.910 3.910 3.914 -0.004 17926
18 1 . 1 1 82 82 GLU C C 61 178.630 178.630 178.967 -0.337 17926
19 1 . 1 1 82 82 GLU CA C 61 59.450 59.450 59.732 -0.282 17926
20 1 . 1 1 82 82 GLU CB C 61 29.660 29.660 29.415 0.245 17926
21 1 . 1 1 82 82 GLU H H 61 7.960 7.960 8.220 -0.260 17926
22 1 . 1 1 83 83 GLU N N 62 118.100 118.100 118.991 -0.891 17926
23 1 . 1 1 83 83 GLU HA H 62 4.120 4.120 4.061 0.059 17926
24 1 . 1 1 83 83 GLU C C 62 178.320 178.320 179.086 -0.766 17926
25 1 . 1 1 83 83 GLU CA C 62 56.650 56.650 59.112 -2.462 17926
26 1 . 1 1 83 83 GLU CB C 62 29.580 29.580 29.335 0.245 17926
27 1 . 1 1 83 83 GLU H H 62 8.150 8.150 8.151 -0.001 17926
28 1 . 1 1 84 84 TYR N N 63 120.940 120.940 120.550 0.390 17926
29 1 . 1 1 84 84 TYR HA H 63 4.290 4.290 4.216 0.074 17926
30 1 . 1 1 84 84 TYR C C 63 178.780 178.780 177.880 0.900 17926
31 1 . 1 1 84 84 TYR CA C 63 61.510 61.510 61.576 -0.066 17926
32 1 . 1 1 84 84 TYR CB C 63 38.590 38.590 38.061 0.529 17926
33 1 . 1 1 84 84 TYR H H 63 8.080 8.080 7.753 0.327 17926
34 1 . 1 1 85 85 CYS N N 64 116.400 116.400 116.878 -0.478 17926
35 1 . 1 1 85 85 CYS HA H 64 4.540 4.540 4.429 0.111 17926
36 1 . 1 1 85 85 CYS C C 64 176.760 176.760 177.064 -0.304 17926
37 1 . 1 1 85 85 CYS CA C 64 55.230 55.230 61.718 -6.488 17926
38 1 . 1 1 85 85 CYS CB C 64 36.570 36.570 25.604 10.966 17926
39 1 . 1 1 85 85 CYS H H 64 8.810 8.810 8.011 0.799 17926
40 1 . 1 1 86 86 LYS N N 65 121.420 121.420 119.810 1.610 17926
41 1 . 1 1 86 86 LYS HA H 65 4.070 4.070 4.136 -0.066 17926
42 1 . 1 1 86 86 LYS C C 65 177.870 177.870 177.547 0.323 17926
43 1 . 1 1 86 86 LYS CA C 65 59.050 59.050 58.906 0.144 17926
44 1 . 1 1 86 86 LYS CB C 65 32.000 32.000 32.289 -0.289 17926
45 1 . 1 1 86 86 LYS H H 65 7.700 7.700 7.504 0.196 17926
46 1 . 1 1 87 87 ASP N N 66 116.020 116.020 117.968 -1.948 17926
47 1 . 1 1 87 87 ASP HA H 66 4.680 4.680 4.629 0.051 17926
48 1 . 1 1 87 87 ASP C C 66 175.740 175.740 176.551 -0.811 17926
49 1 . 1 1 87 87 ASP CA C 66 54.990 54.990 55.248 -0.258 17926
50 1 . 1 1 87 87 ASP CB C 66 41.970 41.970 41.703 0.268 17926
51 1 . 1 1 87 87 ASP H H 66 7.180 7.180 8.065 -0.885 17926
52 1 . 1 1 88 88 ASN N N 67 117.170 117.170 118.766 -1.596 17926
53 1 . 1 1 88 88 ASN HA H 67 5.120 5.120 5.112 0.008 17926
54 1 . 1 1 88 88 ASN CA C 67 51.600 51.600 51.182 0.418 17926
55 1 . 1 1 88 88 ASN CB C 67 39.850 39.850 39.154 0.696 17926
56 1 . 1 1 88 88 ASN H H 67 7.510 7.510 8.491 -0.981 17926
57 1 . 1 1 89 89 PRO HA H 68 4.400 4.400 4.389 0.011 17926
58 1 . 1 1 89 89 PRO C C 68 177.710 177.710 177.022 0.688 17926
59 1 . 1 1 89 89 PRO CA C 68 65.240 65.240 64.922 0.318 17926
60 1 . 1 1 89 89 PRO CB C 68 32.230 32.230 31.885 0.345 17926
61 1 . 1 1 90 90 GLU N N 69 117.090 117.090 116.342 0.748 17926
62 1 . 1 1 90 90 GLU HA H 69 4.390 4.390 4.327 0.063 17926
63 1 . 1 1 90 90 GLU C C 69 177.110 177.110 176.498 0.612 17926
64 1 . 1 1 90 90 GLU CA C 69 56.130 56.130 57.992 -1.862 17926
65 1 . 1 1 90 90 GLU CB C 69 28.850 28.850 30.047 -1.197 17926
66 1 . 1 1 90 90 GLU H H 69 8.740 8.740 8.426 0.314 17926
67 1 . 1 1 91 91 THR N N 70 111.550 111.550 110.145 1.405 17926
68 1 . 1 1 91 91 THR HA H 70 4.530 4.530 4.453 0.077 17926
69 1 . 1 1 91 91 THR C C 70 176.260 176.260 174.831 1.429 17926
70 1 . 1 1 91 91 THR CA C 70 61.400 61.400 62.871 -1.471 17926
71 1 . 1 1 91 91 THR CB C 70 70.900 70.900 69.356 1.544 17926
72 1 . 1 1 91 91 THR H H 70 7.350 7.350 7.806 -0.456 17926
73 1 . 1 1 92 92 ASN N N 71 122.700 122.700 120.431 2.269 17926
74 1 . 1 1 92 92 ASN HA H 71 4.380 4.380 4.559 -0.179 17926
75 1 . 1 1 92 92 ASN C C 71 177.720 177.720 176.452 1.268 17926
76 1 . 1 1 92 92 ASN CA C 71 56.760 56.760 55.418 1.342 17926
77 1 . 1 1 92 92 ASN CB C 71 38.330 38.330 38.529 -0.199 17926
78 1 . 1 1 92 92 ASN H H 71 9.140 9.140 8.575 0.565 17926
79 1 . 1 1 93 93 GLU N N 72 118.080 118.080 117.529 0.551 17926
80 1 . 1 1 93 93 GLU HA H 72 4.230 4.230 4.521 -0.291 17926
81 1 . 1 1 93 93 GLU C C 72 176.810 176.810 177.202 -0.392 17926
82 1 . 1 1 93 93 GLU CA C 72 58.660 58.660 56.781 1.879 17926
83 1 . 1 1 93 93 GLU CB C 72 28.820 28.820 29.725 -0.905 17926
84 1 . 1 1 93 93 GLU H H 72 9.800 9.800 8.082 1.718 17926
85 1 . 1 1 94 94 CYS N N 73 117.020 117.020 118.564 -1.544 17926
86 1 . 1 1 94 94 CYS HA H 73 4.840 4.840 4.554 0.286 17926
87 1 . 1 1 94 94 CYS C C 73 175.280 175.280 175.873 -0.593 17926
88 1 . 1 1 94 94 CYS CA C 73 55.370 55.370 59.188 -3.818 17926
89 1 . 1 1 94 94 CYS CB C 73 39.610 39.610 25.848 13.762 17926
90 1 . 1 1 94 94 CYS H H 73 7.690 7.690 8.303 -0.613 17926
91 1 . 1 1 95 95 ARG N N 74 121.930 121.930 120.548 1.382 17926
92 1 . 1 1 95 95 ARG HA H 74 4.400 4.400 4.252 0.147 17926
93 1 . 1 1 95 95 ARG C C 74 176.500 176.500 176.906 -0.406 17926
94 1 . 1 1 95 95 ARG CA C 74 57.120 57.120 57.841 -0.721 17926
95 1 . 1 1 95 95 ARG CB C 74 30.760 30.760 30.484 0.276 17926
96 1 . 1 1 95 95 ARG H H 74 7.790 7.790 8.227 -0.437 17926
97 1 . 1 1 96 96 THR N N 75 113.200 113.200 113.464 -0.264 17926
98 1 . 1 1 96 96 THR HA H 75 4.340 4.340 4.288 0.052 17926
99 1 . 1 1 96 96 THR C C 75 174.100 174.100 174.430 -0.330 17926
100 1 . 1 1 96 96 THR CA C 75 61.720 61.720 63.043 -1.323 17926
101 1 . 1 1 96 96 THR CB C 75 69.700 69.700 69.450 0.250 17926
102 1 . 1 1 96 96 THR H H 75 8.100 8.100 7.786 0.314 17926
103 1 . 1 1 97 97 TYR N N 76 121.920 121.920 120.961 0.959 17926
104 1 . 1 1 97 97 TYR HA H 76 4.590 4.590 4.416 0.174 17926
105 1 . 1 1 97 97 TYR C C 76 175.280 175.280 175.626 -0.346 17926
106 1 . 1 1 97 97 TYR CA C 76 57.920 57.920 59.669 -1.749 17926
107 1 . 1 1 97 97 TYR CB C 76 39.080 39.080 39.125 -0.045 17926
108 1 . 1 1 97 97 TYR H H 76 8.060 8.060 8.243 -0.183 17926
109 1 . 1 1 98 98 ASP N N 77 122.130 122.130 119.205 2.925 17926
110 1 . 1 1 98 98 ASP HA H 77 4.630 4.630 4.637 -0.007 17926
111 1 . 1 1 98 98 ASP C C 77 174.820 174.820 175.166 -0.346 17926
112 1 . 1 1 98 98 ASP CA C 77 54.300 54.300 54.145 0.155 17926
113 1 . 1 1 98 98 ASP CB C 77 41.200 41.200 41.933 -0.733 17926
114 1 . 1 1 98 98 ASP H H 77 8.310 8.310 8.209 0.101 17926
stop_
save_