data_18010
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18010
_Entry.PDB_ID 2LKS
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 18010
_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 4 4 LYS N N 14 123.250 123.250 120.786 2.464 18010
2 1 1 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.019 0.161 18010
3 1 1 . 1 1 4 4 LYS C C 14 177.770 177.770 177.745 0.025 18010
4 1 1 . 1 1 4 4 LYS CA C 14 57.620 57.620 58.582 -0.962 18010
5 1 1 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.747 0.833 18010
6 1 1 . 1 1 4 4 LYS H H 14 8.480 8.480 8.522 -0.042 18010
7 1 1 . 1 1 5 5 GLU N N 15 121.270 121.270 119.828 1.442 18010
8 1 1 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.109 0.101 18010
9 1 1 . 1 1 5 5 GLU C C 15 177.390 177.390 178.859 -1.469 18010
10 1 1 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.111 -1.371 18010
11 1 1 . 1 1 5 5 GLU CB C 15 29.960 29.960 28.885 1.075 18010
12 1 1 . 1 1 5 5 GLU H H 15 8.330 8.330 8.435 -0.105 18010
13 1 1 . 1 1 6 6 GLU N N 16 121.480 121.480 119.763 1.717 18010
14 1 1 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.358 -0.198 18010
15 1 1 . 1 1 6 6 GLU C C 16 177.740 177.740 178.803 -1.063 18010
16 1 1 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.059 -1.319 18010
17 1 1 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.453 0.507 18010
18 1 1 . 1 1 6 6 GLU H H 16 8.350 8.350 8.297 0.053 18010
19 1 1 . 1 1 7 7 ALA N N 17 124.390 124.390 121.865 2.525 18010
20 1 1 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.104 0.086 18010
21 1 1 . 1 1 7 7 ALA C C 17 178.580 178.580 179.570 -0.990 18010
22 1 1 . 1 1 7 7 ALA CA C 17 53.630 53.630 55.001 -1.371 18010
23 1 1 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.291 0.579 18010
24 1 1 . 1 1 7 7 ALA H H 17 8.230 8.230 7.955 0.275 18010
25 1 1 . 1 1 8 8 LYS N N 18 119.380 119.380 118.795 0.585 18010
26 1 1 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.995 0.015 18010
27 1 1 . 1 1 8 8 LYS C C 18 177.960 177.960 179.271 -1.311 18010
28 1 1 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.730 -1.670 18010
29 1 1 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.319 0.422 18010
30 1 1 . 1 1 8 8 LYS H H 18 8.070 8.070 7.653 0.417 18010
31 1 1 . 1 1 9 9 GLN N N 19 120.230 120.230 118.736 1.494 18010
32 1 1 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.084 0.146 18010
33 1 1 . 1 1 9 9 GLN C C 19 176.550 176.550 178.451 -1.901 18010
34 1 1 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.756 -1.566 18010
35 1 1 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.586 0.234 18010
36 1 1 . 1 1 9 9 GLN H H 19 8.140 8.140 7.782 0.358 18010
37 1 1 . 1 1 10 10 ALA N N 20 123.740 123.740 123.079 0.661 18010
38 1 1 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.114 0.086 18010
39 1 1 . 1 1 10 10 ALA C C 20 178.730 178.730 179.212 -0.482 18010
40 1 1 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.876 -1.056 18010
41 1 1 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.418 0.422 18010
42 1 1 . 1 1 10 10 ALA H H 20 8.180 8.180 7.737 0.443 18010
43 1 1 . 1 1 11 11 PHE N N 21 118.790 118.790 119.030 -0.240 18010
44 1 1 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.140 0.260 18010
45 1 1 . 1 1 11 11 PHE C C 21 176.380 176.380 177.292 -0.912 18010
46 1 1 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.413 -2.293 18010
47 1 1 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.258 0.062 18010
48 1 1 . 1 1 11 11 PHE H H 21 8.180 8.180 7.783 0.397 18010
49 1 1 . 1 1 12 12 LYS N N 22 120.470 120.470 118.809 1.661 18010
50 1 1 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.819 0.191 18010
51 1 1 . 1 1 12 12 LYS C C 22 177.950 177.950 179.087 -1.137 18010
52 1 1 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.011 -1.292 18010
53 1 1 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.279 0.491 18010
54 1 1 . 1 1 12 12 LYS H H 22 7.980 7.980 7.822 0.158 18010
55 1 1 . 1 1 13 13 GLU N N 23 120.060 120.060 119.822 0.238 18010
56 1 1 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.022 0.158 18010
57 1 1 . 1 1 13 13 GLU C C 23 178.170 178.170 179.019 -0.849 18010
58 1 1 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.142 -2.302 18010
59 1 1 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.606 -0.116 18010
60 1 1 . 1 1 13 13 GLU H H 23 8.140 8.140 8.160 -0.020 18010
61 1 1 . 1 1 14 14 LEU N N 24 122.360 122.360 122.235 0.125 18010
62 1 1 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.046 0.354 18010
63 1 1 . 1 1 14 14 LEU C C 24 178.260 178.260 178.321 -0.061 18010
64 1 1 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.799 -0.959 18010
65 1 1 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.827 0.263 18010
66 1 1 . 1 1 14 14 LEU H H 24 8.030 8.030 8.222 -0.192 18010
67 1 1 . 1 1 15 15 LEU N N 25 120.260 120.260 117.604 2.656 18010
68 1 1 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.735 0.325 18010
69 1 1 . 1 1 15 15 LEU C C 25 177.990 177.990 178.314 -0.324 18010
70 1 1 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.574 -1.034 18010
71 1 1 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.456 0.464 18010
72 1 1 . 1 1 15 15 LEU H H 25 7.990 7.990 7.579 0.411 18010
73 1 1 . 1 1 16 16 LYS N N 26 120.680 120.680 115.857 4.823 18010
74 1 1 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.987 0.213 18010
75 1 1 . 1 1 16 16 LYS C C 26 177.940 177.940 178.280 -0.340 18010
76 1 1 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.785 -1.175 18010
77 1 1 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.647 0.153 18010
78 1 1 . 1 1 16 16 LYS H H 26 7.890 7.890 7.512 0.378 18010
79 1 1 . 1 1 17 17 GLU N N 27 120.470 120.470 118.192 2.278 18010
80 1 1 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.130 0.050 18010
81 1 1 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.161 -1.151 18010
82 1 1 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.180 -1.250 18010
83 1 1 . 1 1 17 17 GLU H H 27 8.170 8.170 7.951 0.219 18010
84 1 1 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.235 0.015 18010
85 1 1 . 1 1 19 19 ARG C C 29 175.920 175.920 175.757 0.163 18010
86 1 1 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.342 -0.402 18010
87 1 1 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.885 -0.705 18010
88 1 1 . 1 1 20 20 VAL N N 30 121.110 121.110 123.477 -2.367 18010
89 1 1 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.396 -0.066 18010
90 1 1 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.949 -0.289 18010
91 1 1 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.646 0.134 18010
92 1 1 . 1 1 20 20 VAL H H 30 7.990 7.990 8.314 -0.324 18010
93 1 1 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.436 -0.016 18010
94 1 1 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.120 -0.420 18010
95 1 1 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.462 -0.072 18010
96 1 1 . 1 1 22 22 SER N N 32 116.500 116.500 118.335 -1.835 18010
97 1 1 . 1 1 22 22 SER HA H 32 4.310 4.310 4.141 0.169 18010
98 1 1 . 1 1 22 22 SER C C 32 174.600 174.600 175.534 -0.934 18010
99 1 1 . 1 1 22 22 SER CA C 32 59.370 59.370 60.693 -1.323 18010
100 1 1 . 1 1 22 22 SER CB C 32 63.870 63.870 63.523 0.347 18010
101 1 1 . 1 1 22 22 SER H H 32 8.530 8.530 8.523 0.007 18010
102 1 1 . 1 1 23 23 ASN N N 33 119.050 119.050 119.090 -0.040 18010
103 1 1 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.630 0.090 18010
104 1 1 . 1 1 23 23 ASN C C 33 175.220 175.220 176.087 -0.867 18010
105 1 1 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.374 -1.424 18010
106 1 1 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.891 0.409 18010
107 1 1 . 1 1 23 23 ASN H H 33 8.310 8.310 8.320 -0.010 18010
108 1 1 . 1 1 24 24 ALA N N 34 123.610 123.610 121.456 2.154 18010
109 1 1 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.219 0.081 18010
110 1 1 . 1 1 24 24 ALA C C 34 178.100 178.100 176.494 1.606 18010
111 1 1 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.862 0.158 18010
112 1 1 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.723 -0.463 18010
113 1 1 . 1 1 24 24 ALA H H 34 7.960 7.960 7.405 0.555 18010
114 1 1 . 1 1 25 25 SER N N 35 116.140 116.140 111.984 4.156 18010
115 1 1 . 1 1 25 25 SER HA H 35 4.490 4.490 4.530 -0.040 18010
116 1 1 . 1 1 25 25 SER C C 35 175.380 175.380 174.276 1.104 18010
117 1 1 . 1 1 25 25 SER CA C 35 58.290 58.290 57.340 0.950 18010
118 1 1 . 1 1 25 25 SER CB C 35 64.100 64.100 65.060 -0.960 18010
119 1 1 . 1 1 25 25 SER H H 35 8.350 8.350 7.911 0.439 18010
120 1 1 . 1 1 26 26 TRP N N 36 123.670 123.670 124.688 -1.018 18010
121 1 1 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.439 -0.129 18010
122 1 1 . 1 1 26 26 TRP C C 36 177.060 177.060 177.365 -0.305 18010
123 1 1 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.793 -1.603 18010
124 1 1 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.607 -0.887 18010
125 1 1 . 1 1 26 26 TRP H H 36 8.570 8.570 9.041 -0.471 18010
126 1 1 . 1 1 27 27 GLU N N 37 119.050 119.050 117.438 1.612 18010
127 1 1 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.908 -0.168 18010
128 1 1 . 1 1 27 27 GLU C C 37 178.570 178.570 178.848 -0.278 18010
129 1 1 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.969 -0.509 18010
130 1 1 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.283 0.017 18010
131 1 1 . 1 1 27 27 GLU H H 37 8.320 8.320 8.637 -0.317 18010
132 1 1 . 1 1 28 28 GLN N N 38 118.900 118.900 118.898 0.002 18010
133 1 1 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.023 -0.043 18010
134 1 1 . 1 1 28 28 GLN C C 38 177.940 177.940 178.414 -0.474 18010
135 1 1 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.396 -1.766 18010
136 1 1 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010
137 1 1 . 1 1 28 28 GLN H H 38 7.790 7.790 7.463 0.327 18010
138 1 1 . 1 1 29 29 ALA N N 39 122.810 122.810 122.285 0.525 18010
139 1 1 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.974 0.006 18010
140 1 1 . 1 1 29 29 ALA C C 39 179.110 179.110 179.285 -0.175 18010
141 1 1 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.654 -0.094 18010
142 1 1 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.279 0.301 18010
143 1 1 . 1 1 29 29 ALA H H 39 8.170 8.170 8.249 -0.079 18010
144 1 1 . 1 1 30 30 MET N N 40 116.270 116.270 116.929 -0.659 18010
145 1 1 . 1 1 30 30 MET HA H 40 4.070 4.070 3.816 0.254 18010
146 1 1 . 1 1 30 30 MET C C 40 177.710 177.710 178.500 -0.790 18010
147 1 1 . 1 1 30 30 MET CA C 40 56.930 56.930 58.946 -2.016 18010
148 1 1 . 1 1 30 30 MET CB C 40 32.000 32.000 32.366 -0.366 18010
149 1 1 . 1 1 30 30 MET H H 40 8.150 8.150 7.987 0.163 18010
150 1 1 . 1 1 31 31 LYS N N 41 118.730 118.730 118.901 -0.171 18010
151 1 1 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.885 0.075 18010
152 1 1 . 1 1 31 31 LYS C C 41 177.860 177.860 178.920 -1.060 18010
153 1 1 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.371 -0.791 18010
154 1 1 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.059 0.381 18010
155 1 1 . 1 1 31 31 LYS H H 41 7.620 7.620 7.524 0.096 18010
156 1 1 . 1 1 32 32 MET N N 42 117.330 117.330 118.495 -1.165 18010
157 1 1 . 1 1 32 32 MET HA H 42 4.260 4.260 4.055 0.205 18010
158 1 1 . 1 1 32 32 MET C C 42 177.460 177.460 178.565 -1.105 18010
159 1 1 . 1 1 32 32 MET CA C 42 57.230 57.230 59.409 -2.179 18010
160 1 1 . 1 1 32 32 MET CB C 42 32.850 32.850 32.677 0.173 18010
161 1 1 . 1 1 32 32 MET H H 42 7.680 7.680 7.614 0.066 18010
162 1 1 . 1 1 33 33 ILE N N 43 118.210 118.210 116.377 1.833 18010
163 1 1 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.787 0.263 18010
164 1 1 . 1 1 33 33 ILE C C 43 176.780 176.780 177.128 -0.348 18010
165 1 1 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.135 -1.304 18010
166 1 1 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.531 1.169 18010
167 1 1 . 1 1 33 33 ILE H H 43 7.740 7.740 7.304 0.436 18010
168 1 1 . 1 1 34 34 ILE N N 44 119.000 119.000 119.184 -0.184 18010
169 1 1 . 1 1 34 34 ILE HA H 44 4.110 4.110 2.988 1.122 18010
170 1 1 . 1 1 34 34 ILE C C 44 175.920 175.920 177.053 -1.133 18010
171 1 1 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.151 -1.471 18010
172 1 1 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.530 1.380 18010
173 1 1 . 1 1 34 34 ILE H H 44 7.770 7.770 7.334 0.436 18010
174 1 1 . 1 1 35 35 ASN N N 45 118.210 118.210 116.133 2.077 18010
175 1 1 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.485 0.235 18010
176 1 1 . 1 1 35 35 ASN C C 45 174.600 174.600 175.770 -1.170 18010
177 1 1 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.584 -1.355 18010
178 1 1 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.491 0.599 18010
179 1 1 . 1 1 35 35 ASN H H 45 7.870 7.870 7.690 0.180 18010
180 1 1 . 1 1 36 36 ASP N N 46 123.510 123.510 121.201 2.309 18010
181 1 1 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.639 0.291 18010
182 1 1 . 1 1 36 36 ASP C C 46 175.630 175.630 175.993 -0.363 18010
183 1 1 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.394 -2.424 18010
184 1 1 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.581 1.549 18010
185 1 1 . 1 1 36 36 ASP H H 46 7.920 7.920 7.383 0.537 18010
186 1 1 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.177 0.273 18010
187 1 1 . 1 1 37 37 PRO C C 47 178.100 178.100 178.309 -0.209 18010
188 1 1 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.305 -1.215 18010
189 1 1 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.876 0.164 18010
190 1 1 . 1 1 38 38 ARG N N 48 118.490 118.490 116.362 2.128 18010
191 1 1 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.026 0.064 18010
192 1 1 . 1 1 38 38 ARG C C 48 177.700 177.700 178.416 -0.716 18010
193 1 1 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.397 -1.587 18010
194 1 1 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.834 0.326 18010
195 1 1 . 1 1 38 38 ARG H H 48 8.780 8.780 8.231 0.549 18010
196 1 1 . 1 1 39 39 TYR N N 49 118.350 118.350 120.899 -2.549 18010
197 1 1 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.116 0.414 18010
198 1 1 . 1 1 39 39 TYR C C 49 176.550 176.550 176.831 -0.281 18010
199 1 1 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.730 -2.780 18010
200 1 1 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.345 0.645 18010
201 1 1 . 1 1 39 39 TYR H H 49 7.900 7.900 8.687 -0.787 18010
202 1 1 . 1 1 40 40 SER N N 50 115.790 115.790 115.392 0.398 18010
203 1 1 . 1 1 40 40 SER HA H 50 4.230 4.230 3.928 0.302 18010
204 1 1 . 1 1 40 40 SER C C 50 175.570 175.570 176.512 -0.942 18010
205 1 1 . 1 1 40 40 SER CA C 50 60.080 60.080 61.300 -1.220 18010
206 1 1 . 1 1 40 40 SER CB C 50 63.230 63.230 62.789 0.440 18010
207 1 1 . 1 1 40 40 SER H H 50 7.930 7.930 7.935 -0.005 18010
208 1 1 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.097 0.133 18010
209 1 1 . 1 1 41 41 ALA C C 51 178.570 178.570 179.522 -0.952 18010
210 1 1 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.654 -0.774 18010
211 1 1 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.289 0.551 18010
212 1 1 . 1 1 41 41 ALA H H 51 8.180 8.180 7.410 0.770 18010
213 1 1 . 1 1 42 42 LEU N N 52 118.900 118.900 119.482 -0.582 18010
214 1 1 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.886 0.284 18010
215 1 1 . 1 1 42 42 LEU C C 52 178.140 178.140 179.024 -0.884 18010
216 1 1 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.517 -1.357 18010
217 1 1 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.641 0.429 18010
218 1 1 . 1 1 42 42 LEU H H 52 7.790 7.790 8.087 -0.297 18010
219 1 1 . 1 1 43 43 ALA N N 53 122.850 122.850 121.051 1.799 18010
220 1 1 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.944 0.166 18010
221 1 1 . 1 1 43 43 ALA C C 53 178.490 178.490 178.852 -0.362 18010
222 1 1 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.258 -0.668 18010
223 1 1 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.694 0.146 18010
224 1 1 . 1 1 43 43 ALA H H 53 7.990 7.990 7.725 0.265 18010
225 1 1 . 1 1 44 44 LYS N N 54 118.370 118.370 117.957 0.413 18010
226 1 1 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.087 0.143 18010
227 1 1 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.463 -0.493 18010
228 1 1 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.911 -0.311 18010
229 1 1 . 1 1 44 44 LYS H H 54 7.850 7.850 7.605 0.245 18010
230 1 1 . 1 1 45 45 LEU N N 55 121.540 121.540 118.182 3.358 18010
231 1 1 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.878 0.402 18010
232 1 1 . 1 1 45 45 LEU C C 55 177.790 177.790 175.453 2.337 18010
233 1 1 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.391 -0.341 18010
234 1 1 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.070 1.150 18010
235 1 1 . 1 1 45 45 LEU H H 55 7.920 7.920 8.165 -0.245 18010
236 1 2 . 1 1 4 4 LYS N N 14 123.250 123.250 120.415 2.835 18010
237 1 2 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.043 0.137 18010
238 1 2 . 1 1 4 4 LYS C C 14 177.770 177.770 177.198 0.572 18010
239 1 2 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.197 0.423 18010
240 1 2 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.020 0.560 18010
241 1 2 . 1 1 4 4 LYS H H 14 8.480 8.480 8.327 0.153 18010
242 1 2 . 1 1 5 5 GLU N N 15 121.270 121.270 119.785 1.485 18010
243 1 2 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.002 0.208 18010
244 1 2 . 1 1 5 5 GLU C C 15 177.390 177.390 178.256 -0.866 18010
245 1 2 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.101 -1.361 18010
246 1 2 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.755 0.205 18010
247 1 2 . 1 1 5 5 GLU H H 15 8.330 8.330 8.630 -0.300 18010
248 1 2 . 1 1 6 6 GLU N N 16 121.480 121.480 119.443 2.037 18010
249 1 2 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.353 -0.193 18010
250 1 2 . 1 1 6 6 GLU C C 16 177.740 177.740 178.644 -0.904 18010
251 1 2 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.351 -1.611 18010
252 1 2 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.355 0.605 18010
253 1 2 . 1 1 6 6 GLU H H 16 8.350 8.350 8.741 -0.391 18010
254 1 2 . 1 1 7 7 ALA N N 17 124.390 124.390 121.892 2.498 18010
255 1 2 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.150 0.040 18010
256 1 2 . 1 1 7 7 ALA C C 17 178.580 178.580 179.482 -0.902 18010
257 1 2 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.752 -1.122 18010
258 1 2 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.110 0.760 18010
259 1 2 . 1 1 7 7 ALA H H 17 8.230 8.230 8.260 -0.030 18010
260 1 2 . 1 1 8 8 LYS N N 18 119.380 119.380 119.066 0.314 18010
261 1 2 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.999 0.011 18010
262 1 2 . 1 1 8 8 LYS C C 18 177.960 177.960 178.902 -0.942 18010
263 1 2 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.540 -1.480 18010
264 1 2 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.334 0.406 18010
265 1 2 . 1 1 8 8 LYS H H 18 8.070 8.070 7.722 0.348 18010
266 1 2 . 1 1 9 9 GLN N N 19 120.230 120.230 118.338 1.892 18010
267 1 2 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.080 0.150 18010
268 1 2 . 1 1 9 9 GLN C C 19 176.550 176.550 178.492 -1.942 18010
269 1 2 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.679 -1.490 18010
270 1 2 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.646 0.174 18010
271 1 2 . 1 1 9 9 GLN H H 19 8.140 8.140 7.787 0.353 18010
272 1 2 . 1 1 10 10 ALA N N 20 123.740 123.740 123.108 0.632 18010
273 1 2 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.110 0.090 18010
274 1 2 . 1 1 10 10 ALA C C 20 178.730 178.730 179.208 -0.478 18010
275 1 2 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.868 -1.048 18010
276 1 2 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.436 0.404 18010
277 1 2 . 1 1 10 10 ALA H H 20 8.180 8.180 7.807 0.373 18010
278 1 2 . 1 1 11 11 PHE N N 21 118.790 118.790 119.600 -0.810 18010
279 1 2 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.121 0.279 18010
280 1 2 . 1 1 11 11 PHE C C 21 176.380 176.380 177.137 -0.757 18010
281 1 2 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.371 -2.251 18010
282 1 2 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.279 0.041 18010
283 1 2 . 1 1 11 11 PHE H H 21 8.180 8.180 7.907 0.273 18010
284 1 2 . 1 1 12 12 LYS N N 22 120.470 120.470 119.541 0.929 18010
285 1 2 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.798 0.212 18010
286 1 2 . 1 1 12 12 LYS C C 22 177.950 177.950 178.849 -0.899 18010
287 1 2 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.903 -1.183 18010
288 1 2 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.327 0.443 18010
289 1 2 . 1 1 12 12 LYS H H 22 7.980 7.980 7.798 0.182 18010
290 1 2 . 1 1 13 13 GLU N N 23 120.060 120.060 119.423 0.637 18010
291 1 2 . 1 1 13 13 GLU HA H 23 4.180 4.180 3.998 0.182 18010
292 1 2 . 1 1 13 13 GLU C C 23 178.170 178.170 179.063 -0.893 18010
293 1 2 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.075 -2.236 18010
294 1 2 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.642 -0.152 18010
295 1 2 . 1 1 13 13 GLU H H 23 8.140 8.140 8.010 0.130 18010
296 1 2 . 1 1 14 14 LEU N N 24 122.360 122.360 122.059 0.301 18010
297 1 2 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.046 0.354 18010
298 1 2 . 1 1 14 14 LEU C C 24 178.260 178.260 178.190 0.070 18010
299 1 2 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.763 -0.923 18010
300 1 2 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.818 0.272 18010
301 1 2 . 1 1 14 14 LEU H H 24 8.030 8.030 8.238 -0.208 18010
302 1 2 . 1 1 15 15 LEU N N 25 120.260 120.260 119.001 1.259 18010
303 1 2 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.730 0.330 18010
304 1 2 . 1 1 15 15 LEU C C 25 177.990 177.990 178.716 -0.726 18010
305 1 2 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.578 -1.038 18010
306 1 2 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.392 0.528 18010
307 1 2 . 1 1 15 15 LEU H H 25 7.990 7.990 7.597 0.393 18010
308 1 2 . 1 1 16 16 LYS N N 26 120.680 120.680 118.121 2.559 18010
309 1 2 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.963 0.237 18010
310 1 2 . 1 1 16 16 LYS C C 26 177.940 177.940 178.412 -0.472 18010
311 1 2 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.163 -1.553 18010
312 1 2 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.552 0.248 18010
313 1 2 . 1 1 16 16 LYS H H 26 7.890 7.890 7.417 0.473 18010
314 1 2 . 1 1 17 17 GLU N N 27 120.470 120.470 117.431 3.039 18010
315 1 2 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.121 0.059 18010
316 1 2 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.090 -1.080 18010
317 1 2 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.065 -1.135 18010
318 1 2 . 1 1 17 17 GLU H H 27 8.170 8.170 7.680 0.490 18010
319 1 2 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.020 0.230 18010
320 1 2 . 1 1 19 19 ARG C C 29 175.920 175.920 176.196 -0.276 18010
321 1 2 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.468 -1.528 18010
322 1 2 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.217 -0.037 18010
323 1 2 . 1 1 20 20 VAL N N 30 121.110 121.110 117.788 3.322 18010
324 1 2 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.806 0.524 18010
325 1 2 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.067 -2.407 18010
326 1 2 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.367 2.413 18010
327 1 2 . 1 1 20 20 VAL H H 30 7.990 7.990 8.030 -0.040 18010
328 1 2 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.452 -0.032 18010
329 1 2 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.201 -0.501 18010
330 1 2 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.530 -0.140 18010
331 1 2 . 1 1 22 22 SER N N 32 116.500 116.500 118.423 -1.923 18010
332 1 2 . 1 1 22 22 SER HA H 32 4.310 4.310 4.106 0.204 18010
333 1 2 . 1 1 22 22 SER C C 32 174.600 174.600 175.257 -0.657 18010
334 1 2 . 1 1 22 22 SER CA C 32 59.370 59.370 61.092 -1.722 18010
335 1 2 . 1 1 22 22 SER CB C 32 63.870 63.870 63.196 0.674 18010
336 1 2 . 1 1 22 22 SER H H 32 8.530 8.530 8.663 -0.133 18010
337 1 2 . 1 1 23 23 ASN N N 33 119.050 119.050 119.539 -0.489 18010
338 1 2 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.618 0.102 18010
339 1 2 . 1 1 23 23 ASN C C 33 175.220 175.220 175.569 -0.349 18010
340 1 2 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.034 -1.084 18010
341 1 2 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.117 0.183 18010
342 1 2 . 1 1 23 23 ASN H H 33 8.310 8.310 8.153 0.157 18010
343 1 2 . 1 1 24 24 ALA N N 34 123.610 123.610 122.771 0.839 18010
344 1 2 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.494 -0.194 18010
345 1 2 . 1 1 24 24 ALA C C 34 178.100 178.100 176.685 1.415 18010
346 1 2 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.190 0.830 18010
347 1 2 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.050 -0.790 18010
348 1 2 . 1 1 24 24 ALA H H 34 7.960 7.960 7.519 0.441 18010
349 1 2 . 1 1 25 25 SER N N 35 116.140 116.140 118.530 -2.390 18010
350 1 2 . 1 1 25 25 SER HA H 35 4.490 4.490 4.524 -0.034 18010
351 1 2 . 1 1 25 25 SER C C 35 175.380 175.380 175.462 -0.082 18010
352 1 2 . 1 1 25 25 SER CA C 35 58.290 58.290 57.179 1.111 18010
353 1 2 . 1 1 25 25 SER CB C 35 64.100 64.100 64.903 -0.802 18010
354 1 2 . 1 1 25 25 SER H H 35 8.350 8.350 7.995 0.355 18010
355 1 2 . 1 1 26 26 TRP N N 36 123.670 123.670 123.124 0.546 18010
356 1 2 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.398 -0.088 18010
357 1 2 . 1 1 26 26 TRP C C 36 177.060 177.060 177.684 -0.624 18010
358 1 2 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.635 -2.445 18010
359 1 2 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.596 -0.876 18010
360 1 2 . 1 1 26 26 TRP H H 36 8.570 8.570 8.849 -0.279 18010
361 1 2 . 1 1 27 27 GLU N N 37 119.050 119.050 117.940 1.110 18010
362 1 2 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.800 -0.060 18010
363 1 2 . 1 1 27 27 GLU C C 37 178.570 178.570 178.722 -0.152 18010
364 1 2 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.975 -0.515 18010
365 1 2 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.220 0.080 18010
366 1 2 . 1 1 27 27 GLU H H 37 8.320 8.320 8.898 -0.578 18010
367 1 2 . 1 1 28 28 GLN N N 38 118.900 118.900 118.790 0.110 18010
368 1 2 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.029 -0.049 18010
369 1 2 . 1 1 28 28 GLN C C 38 177.940 177.940 178.464 -0.524 18010
370 1 2 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.364 -1.734 18010
371 1 2 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.748 1.671 18010
372 1 2 . 1 1 28 28 GLN H H 38 7.790 7.790 7.586 0.204 18010
373 1 2 . 1 1 29 29 ALA N N 39 122.810 122.810 123.031 -0.221 18010
374 1 2 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.028 -0.048 18010
375 1 2 . 1 1 29 29 ALA C C 39 179.110 179.110 179.365 -0.255 18010
376 1 2 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.918 -0.358 18010
377 1 2 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.457 0.123 18010
378 1 2 . 1 1 29 29 ALA H H 39 8.170 8.170 8.406 -0.236 18010
379 1 2 . 1 1 30 30 MET N N 40 116.270 116.270 116.790 -0.520 18010
380 1 2 . 1 1 30 30 MET HA H 40 4.070 4.070 3.946 0.124 18010
381 1 2 . 1 1 30 30 MET C C 40 177.710 177.710 178.602 -0.892 18010
382 1 2 . 1 1 30 30 MET CA C 40 56.930 56.930 57.571 -0.641 18010
383 1 2 . 1 1 30 30 MET CB C 40 32.000 32.000 31.313 0.687 18010
384 1 2 . 1 1 30 30 MET H H 40 8.150 8.150 7.885 0.265 18010
385 1 2 . 1 1 31 31 LYS N N 41 118.730 118.730 119.009 -0.279 18010
386 1 2 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.872 0.088 18010
387 1 2 . 1 1 31 31 LYS C C 41 177.860 177.860 179.146 -1.286 18010
388 1 2 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.424 -0.844 18010
389 1 2 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.132 0.308 18010
390 1 2 . 1 1 31 31 LYS H H 41 7.620 7.620 7.450 0.170 18010
391 1 2 . 1 1 32 32 MET N N 42 117.330 117.330 118.487 -1.157 18010
392 1 2 . 1 1 32 32 MET HA H 42 4.260 4.260 4.062 0.198 18010
393 1 2 . 1 1 32 32 MET C C 42 177.460 177.460 178.642 -1.182 18010
394 1 2 . 1 1 32 32 MET CA C 42 57.230 57.230 59.405 -2.175 18010
395 1 2 . 1 1 32 32 MET CB C 42 32.850 32.850 32.765 0.085 18010
396 1 2 . 1 1 32 32 MET H H 42 7.680 7.680 7.812 -0.132 18010
397 1 2 . 1 1 33 33 ILE N N 43 118.210 118.210 116.001 2.209 18010
398 1 2 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.924 0.126 18010
399 1 2 . 1 1 33 33 ILE C C 43 176.780 176.780 178.006 -1.226 18010
400 1 2 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.838 -1.008 18010
401 1 2 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.655 1.045 18010
402 1 2 . 1 1 33 33 ILE H H 43 7.740 7.740 7.493 0.247 18010
403 1 2 . 1 1 34 34 ILE N N 44 119.000 119.000 120.114 -1.114 18010
404 1 2 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.048 1.062 18010
405 1 2 . 1 1 34 34 ILE C C 44 175.920 175.920 176.766 -0.846 18010
406 1 2 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.256 -1.576 18010
407 1 2 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.536 1.374 18010
408 1 2 . 1 1 34 34 ILE H H 44 7.770 7.770 7.467 0.303 18010
409 1 2 . 1 1 35 35 ASN N N 45 118.210 118.210 115.728 2.482 18010
410 1 2 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.489 0.231 18010
411 1 2 . 1 1 35 35 ASN C C 45 174.600 174.600 175.615 -1.015 18010
412 1 2 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.635 -1.405 18010
413 1 2 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.467 0.623 18010
414 1 2 . 1 1 35 35 ASN H H 45 7.870 7.870 7.610 0.260 18010
415 1 2 . 1 1 36 36 ASP N N 46 123.510 123.510 121.364 2.146 18010
416 1 2 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.671 0.259 18010
417 1 2 . 1 1 36 36 ASP C C 46 175.630 175.630 176.203 -0.573 18010
418 1 2 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.293 -2.323 18010
419 1 2 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.697 1.433 18010
420 1 2 . 1 1 36 36 ASP H H 46 7.920 7.920 7.340 0.580 18010
421 1 2 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.211 0.239 18010
422 1 2 . 1 1 37 37 PRO C C 47 178.100 178.100 178.305 -0.205 18010
423 1 2 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.369 -1.279 18010
424 1 2 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.843 0.197 18010
425 1 2 . 1 1 38 38 ARG N N 48 118.490 118.490 117.327 1.163 18010
426 1 2 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.038 0.052 18010
427 1 2 . 1 1 38 38 ARG C C 48 177.700 177.700 178.524 -0.824 18010
428 1 2 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.006 -1.196 18010
429 1 2 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.866 0.294 18010
430 1 2 . 1 1 38 38 ARG H H 48 8.780 8.780 8.217 0.563 18010
431 1 2 . 1 1 39 39 TYR N N 49 118.350 118.350 121.203 -2.853 18010
432 1 2 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.130 0.400 18010
433 1 2 . 1 1 39 39 TYR C C 49 176.550 176.550 177.156 -0.606 18010
434 1 2 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.371 -2.421 18010
435 1 2 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.255 0.735 18010
436 1 2 . 1 1 39 39 TYR H H 49 7.900 7.900 8.763 -0.863 18010
437 1 2 . 1 1 40 40 SER N N 50 115.790 115.790 114.988 0.802 18010
438 1 2 . 1 1 40 40 SER HA H 50 4.230 4.230 3.910 0.320 18010
439 1 2 . 1 1 40 40 SER C C 50 175.570 175.570 176.596 -1.026 18010
440 1 2 . 1 1 40 40 SER CA C 50 60.080 60.080 61.332 -1.252 18010
441 1 2 . 1 1 40 40 SER CB C 50 63.230 63.230 62.734 0.495 18010
442 1 2 . 1 1 40 40 SER H H 50 7.930 7.930 7.935 -0.005 18010
443 1 2 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.008 0.222 18010
444 1 2 . 1 1 41 41 ALA C C 51 178.570 178.570 179.285 -0.715 18010
445 1 2 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.812 -0.932 18010
446 1 2 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.469 0.371 18010
447 1 2 . 1 1 41 41 ALA H H 51 8.180 8.180 7.377 0.803 18010
448 1 2 . 1 1 42 42 LEU N N 52 118.900 118.900 119.909 -1.009 18010
449 1 2 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.941 0.229 18010
450 1 2 . 1 1 42 42 LEU C C 52 178.140 178.140 178.160 -0.020 18010
451 1 2 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.393 -1.233 18010
452 1 2 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.838 0.232 18010
453 1 2 . 1 1 42 42 LEU H H 52 7.790 7.790 7.984 -0.194 18010
454 1 2 . 1 1 43 43 ALA N N 53 122.850 122.850 119.894 2.956 18010
455 1 2 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.927 0.183 18010
456 1 2 . 1 1 43 43 ALA C C 53 178.490 178.490 179.289 -0.799 18010
457 1 2 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.356 -0.766 18010
458 1 2 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.215 0.625 18010
459 1 2 . 1 1 43 43 ALA H H 53 7.990 7.990 7.562 0.428 18010
460 1 2 . 1 1 44 44 LYS N N 54 118.370 118.370 117.506 0.864 18010
461 1 2 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.094 0.136 18010
462 1 2 . 1 1 44 44 LYS CA C 54 56.970 56.970 58.169 -1.199 18010
463 1 2 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.924 -0.324 18010
464 1 2 . 1 1 44 44 LYS H H 54 7.850 7.850 7.332 0.518 18010
465 1 2 . 1 1 45 45 LEU N N 55 121.540 121.540 115.500 6.040 18010
466 1 2 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.939 0.341 18010
467 1 2 . 1 1 45 45 LEU C C 55 177.790 177.790 176.666 1.124 18010
468 1 2 . 1 1 45 45 LEU CA C 55 56.050 56.050 57.425 -1.375 18010
469 1 2 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.388 1.832 18010
470 1 2 . 1 1 45 45 LEU H H 55 7.920 7.920 7.782 0.138 18010
471 1 3 . 1 1 4 4 LYS N N 14 123.250 123.250 122.346 0.904 18010
472 1 3 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.200 -0.020 18010
473 1 3 . 1 1 4 4 LYS C C 14 177.770 177.770 177.206 0.564 18010
474 1 3 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.971 0.649 18010
475 1 3 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.830 0.750 18010
476 1 3 . 1 1 4 4 LYS H H 14 8.480 8.480 8.711 -0.231 18010
477 1 3 . 1 1 5 5 GLU N N 15 121.270 121.270 120.742 0.528 18010
478 1 3 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.051 0.159 18010
479 1 3 . 1 1 5 5 GLU C C 15 177.390 177.390 178.475 -1.085 18010
480 1 3 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.321 -1.581 18010
481 1 3 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.558 0.402 18010
482 1 3 . 1 1 5 5 GLU H H 15 8.330 8.330 7.800 0.530 18010
483 1 3 . 1 1 6 6 GLU N N 16 121.480 121.480 119.270 2.210 18010
484 1 3 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.064 0.096 18010
485 1 3 . 1 1 6 6 GLU C C 16 177.740 177.740 178.650 -0.910 18010
486 1 3 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.137 -1.397 18010
487 1 3 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.333 0.627 18010
488 1 3 . 1 1 6 6 GLU H H 16 8.350 8.350 7.683 0.667 18010
489 1 3 . 1 1 7 7 ALA N N 17 124.390 124.390 121.898 2.492 18010
490 1 3 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.100 0.090 18010
491 1 3 . 1 1 7 7 ALA C C 17 178.580 178.580 179.645 -1.065 18010
492 1 3 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.905 -1.275 18010
493 1 3 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.354 0.516 18010
494 1 3 . 1 1 7 7 ALA H H 17 8.230 8.230 8.316 -0.086 18010
495 1 3 . 1 1 8 8 LYS N N 18 119.380 119.380 118.568 0.812 18010
496 1 3 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.202 -0.192 18010
497 1 3 . 1 1 8 8 LYS C C 18 177.960 177.960 179.139 -1.179 18010
498 1 3 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.543 -1.483 18010
499 1 3 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.414 0.326 18010
500 1 3 . 1 1 8 8 LYS H H 18 8.070 8.070 7.761 0.309 18010
501 1 3 . 1 1 9 9 GLN N N 19 120.230 120.230 119.028 1.202 18010
502 1 3 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.123 0.107 18010
503 1 3 . 1 1 9 9 GLN C C 19 176.550 176.550 177.896 -1.346 18010
504 1 3 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.340 -1.150 18010
505 1 3 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.115 0.705 18010
506 1 3 . 1 1 9 9 GLN H H 19 8.140 8.140 7.902 0.238 18010
507 1 3 . 1 1 10 10 ALA N N 20 123.740 123.740 122.453 1.287 18010
508 1 3 . 1 1 10 10 ALA HA H 20 4.200 4.200 3.984 0.216 18010
509 1 3 . 1 1 10 10 ALA C C 20 178.730 178.730 179.262 -0.532 18010
510 1 3 . 1 1 10 10 ALA CA C 20 53.820 53.820 55.293 -1.473 18010
511 1 3 . 1 1 10 10 ALA CB C 20 18.840 18.840 17.931 0.909 18010
512 1 3 . 1 1 10 10 ALA H H 20 8.180 8.180 7.714 0.466 18010
513 1 3 . 1 1 11 11 PHE N N 21 118.790 118.790 117.992 0.798 18010
514 1 3 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.161 0.239 18010
515 1 3 . 1 1 11 11 PHE C C 21 176.380 176.380 177.750 -1.370 18010
516 1 3 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.960 -2.840 18010
517 1 3 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.716 0.604 18010
518 1 3 . 1 1 11 11 PHE H H 21 8.180 8.180 7.532 0.648 18010
519 1 3 . 1 1 12 12 LYS N N 22 120.470 120.470 119.890 0.580 18010
520 1 3 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.990 0.020 18010
521 1 3 . 1 1 12 12 LYS C C 22 177.950 177.950 178.647 -0.697 18010
522 1 3 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.850 -1.130 18010
523 1 3 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.310 0.460 18010
524 1 3 . 1 1 12 12 LYS H H 22 7.980 7.980 7.773 0.207 18010
525 1 3 . 1 1 13 13 GLU N N 23 120.060 120.060 119.751 0.309 18010
526 1 3 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.086 0.094 18010
527 1 3 . 1 1 13 13 GLU C C 23 178.170 178.170 178.894 -0.724 18010
528 1 3 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.192 -2.352 18010
529 1 3 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.767 -0.277 18010
530 1 3 . 1 1 13 13 GLU H H 23 8.140 8.140 8.311 -0.171 18010
531 1 3 . 1 1 14 14 LEU N N 24 122.360 122.360 121.693 0.667 18010
532 1 3 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.070 0.330 18010
533 1 3 . 1 1 14 14 LEU C C 24 178.260 178.260 178.472 -0.212 18010
534 1 3 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.801 -0.961 18010
535 1 3 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.853 0.237 18010
536 1 3 . 1 1 14 14 LEU H H 24 8.030 8.030 8.106 -0.076 18010
537 1 3 . 1 1 15 15 LEU N N 25 120.260 120.260 119.210 1.050 18010
538 1 3 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.910 0.150 18010
539 1 3 . 1 1 15 15 LEU C C 25 177.990 177.990 178.833 -0.843 18010
540 1 3 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.768 -1.228 18010
541 1 3 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.639 0.281 18010
542 1 3 . 1 1 15 15 LEU H H 25 7.990 7.990 7.872 0.118 18010
543 1 3 . 1 1 16 16 LYS N N 26 120.680 120.680 118.177 2.503 18010
544 1 3 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.010 0.190 18010
545 1 3 . 1 1 16 16 LYS C C 26 177.940 177.940 178.401 -0.461 18010
546 1 3 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.221 -1.611 18010
547 1 3 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.608 0.192 18010
548 1 3 . 1 1 16 16 LYS H H 26 7.890 7.890 7.519 0.371 18010
549 1 3 . 1 1 17 17 GLU N N 27 120.470 120.470 117.532 2.938 18010
550 1 3 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.136 0.044 18010
551 1 3 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.001 -0.991 18010
552 1 3 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.038 -1.108 18010
553 1 3 . 1 1 17 17 GLU H H 27 8.170 8.170 7.725 0.445 18010
554 1 3 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.141 0.109 18010
555 1 3 . 1 1 19 19 ARG C C 29 175.920 175.920 176.383 -0.463 18010
556 1 3 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.371 -1.431 18010
557 1 3 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.149 0.031 18010
558 1 3 . 1 1 20 20 VAL N N 30 121.110 121.110 116.860 4.250 18010
559 1 3 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.862 0.468 18010
560 1 3 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.685 -2.025 18010
561 1 3 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.310 2.470 18010
562 1 3 . 1 1 20 20 VAL H H 30 7.990 7.990 8.178 -0.188 18010
563 1 3 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.431 -0.011 18010
564 1 3 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.094 -0.395 18010
565 1 3 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.533 -0.143 18010
566 1 3 . 1 1 22 22 SER N N 32 116.500 116.500 117.235 -0.735 18010
567 1 3 . 1 1 22 22 SER HA H 32 4.310 4.310 4.130 0.180 18010
568 1 3 . 1 1 22 22 SER C C 32 174.600 174.600 175.323 -0.723 18010
569 1 3 . 1 1 22 22 SER CA C 32 59.370 59.370 61.217 -1.847 18010
570 1 3 . 1 1 22 22 SER CB C 32 63.870 63.870 63.249 0.621 18010
571 1 3 . 1 1 22 22 SER H H 32 8.530 8.530 8.659 -0.129 18010
572 1 3 . 1 1 23 23 ASN N N 33 119.050 119.050 117.989 1.061 18010
573 1 3 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.628 0.092 18010
574 1 3 . 1 1 23 23 ASN C C 33 175.220 175.220 174.977 0.243 18010
575 1 3 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.928 -0.978 18010
576 1 3 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.319 -0.019 18010
577 1 3 . 1 1 23 23 ASN H H 33 8.310 8.310 8.163 0.147 18010
578 1 3 . 1 1 24 24 ALA N N 34 123.610 123.610 121.586 2.024 18010
579 1 3 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.308 -0.008 18010
580 1 3 . 1 1 24 24 ALA C C 34 178.100 178.100 176.192 1.908 18010
581 1 3 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.471 0.549 18010
582 1 3 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.076 -0.816 18010
583 1 3 . 1 1 24 24 ALA H H 34 7.960 7.960 7.439 0.521 18010
584 1 3 . 1 1 25 25 SER N N 35 116.140 116.140 118.294 -2.154 18010
585 1 3 . 1 1 25 25 SER HA H 35 4.490 4.490 4.686 -0.196 18010
586 1 3 . 1 1 25 25 SER C C 35 175.380 175.380 175.084 0.296 18010
587 1 3 . 1 1 25 25 SER CA C 35 58.290 58.290 57.340 0.950 18010
588 1 3 . 1 1 25 25 SER CB C 35 64.100 64.100 64.304 -0.204 18010
589 1 3 . 1 1 25 25 SER H H 35 8.350 8.350 8.125 0.225 18010
590 1 3 . 1 1 26 26 TRP N N 36 123.670 123.670 123.440 0.230 18010
591 1 3 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.423 -0.113 18010
592 1 3 . 1 1 26 26 TRP C C 36 177.060 177.060 177.973 -0.913 18010
593 1 3 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.898 -1.708 18010
594 1 3 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.831 -1.111 18010
595 1 3 . 1 1 26 26 TRP H H 36 8.570 8.570 8.746 -0.176 18010
596 1 3 . 1 1 27 27 GLU N N 37 119.050 119.050 118.133 0.917 18010
597 1 3 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.775 -0.035 18010
598 1 3 . 1 1 27 27 GLU C C 37 178.570 178.570 178.980 -0.410 18010
599 1 3 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.711 -0.251 18010
600 1 3 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.421 -0.121 18010
601 1 3 . 1 1 27 27 GLU H H 37 8.320 8.320 7.977 0.343 18010
602 1 3 . 1 1 28 28 GLN N N 38 118.900 118.900 117.981 0.919 18010
603 1 3 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.080 -0.100 18010
604 1 3 . 1 1 28 28 GLN C C 38 177.940 177.940 178.396 -0.456 18010
605 1 3 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.066 -1.437 18010
606 1 3 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.382 2.038 18010
607 1 3 . 1 1 28 28 GLN H H 38 7.790 7.790 7.830 -0.040 18010
608 1 3 . 1 1 29 29 ALA N N 39 122.810 122.810 122.921 -0.111 18010
609 1 3 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.056 -0.076 18010
610 1 3 . 1 1 29 29 ALA C C 39 179.110 179.110 179.231 -0.121 18010
611 1 3 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.703 -0.142 18010
612 1 3 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.187 0.393 18010
613 1 3 . 1 1 29 29 ALA H H 39 8.170 8.170 8.574 -0.404 18010
614 1 3 . 1 1 30 30 MET N N 40 116.270 116.270 117.620 -1.350 18010
615 1 3 . 1 1 30 30 MET HA H 40 4.070 4.070 3.718 0.352 18010
616 1 3 . 1 1 30 30 MET C C 40 177.710 177.710 178.029 -0.319 18010
617 1 3 . 1 1 30 30 MET CA C 40 56.930 56.930 58.794 -1.864 18010
618 1 3 . 1 1 30 30 MET CB C 40 32.000 32.000 32.172 -0.172 18010
619 1 3 . 1 1 30 30 MET H H 40 8.150 8.150 8.051 0.099 18010
620 1 3 . 1 1 31 31 LYS N N 41 118.730 118.730 118.580 0.150 18010
621 1 3 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.870 0.090 18010
622 1 3 . 1 1 31 31 LYS C C 41 177.860 177.860 179.015 -1.155 18010
623 1 3 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.358 -0.778 18010
624 1 3 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.132 0.308 18010
625 1 3 . 1 1 31 31 LYS H H 41 7.620 7.620 7.512 0.108 18010
626 1 3 . 1 1 32 32 MET N N 42 117.330 117.330 118.028 -0.698 18010
627 1 3 . 1 1 32 32 MET HA H 42 4.260 4.260 4.041 0.219 18010
628 1 3 . 1 1 32 32 MET C C 42 177.460 177.460 178.876 -1.416 18010
629 1 3 . 1 1 32 32 MET CA C 42 57.230 57.230 59.507 -2.277 18010
630 1 3 . 1 1 32 32 MET CB C 42 32.850 32.850 32.652 0.198 18010
631 1 3 . 1 1 32 32 MET H H 42 7.680 7.680 7.618 0.062 18010
632 1 3 . 1 1 33 33 ILE N N 43 118.210 118.210 116.551 1.659 18010
633 1 3 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.804 0.246 18010
634 1 3 . 1 1 33 33 ILE C C 43 176.780 176.780 177.070 -0.290 18010
635 1 3 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.256 -1.426 18010
636 1 3 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.570 1.130 18010
637 1 3 . 1 1 33 33 ILE H H 43 7.740 7.740 7.605 0.135 18010
638 1 3 . 1 1 34 34 ILE N N 44 119.000 119.000 118.983 0.017 18010
639 1 3 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.065 1.045 18010
640 1 3 . 1 1 34 34 ILE C C 44 175.920 175.920 177.056 -1.136 18010
641 1 3 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.022 -1.342 18010
642 1 3 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.664 1.246 18010
643 1 3 . 1 1 34 34 ILE H H 44 7.770 7.770 7.484 0.286 18010
644 1 3 . 1 1 35 35 ASN N N 45 118.210 118.210 116.194 2.016 18010
645 1 3 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.494 0.226 18010
646 1 3 . 1 1 35 35 ASN C C 45 174.600 174.600 175.743 -1.143 18010
647 1 3 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.601 -1.371 18010
648 1 3 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.531 0.559 18010
649 1 3 . 1 1 35 35 ASN H H 45 7.870 7.870 7.791 0.079 18010
650 1 3 . 1 1 36 36 ASP N N 46 123.510 123.510 121.184 2.326 18010
651 1 3 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.685 0.245 18010
652 1 3 . 1 1 36 36 ASP C C 46 175.630 175.630 175.933 -0.303 18010
653 1 3 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.162 -2.192 18010
654 1 3 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.594 1.536 18010
655 1 3 . 1 1 36 36 ASP H H 46 7.920 7.920 7.419 0.501 18010
656 1 3 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.216 0.234 18010
657 1 3 . 1 1 37 37 PRO C C 47 178.100 178.100 178.229 -0.129 18010
658 1 3 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.211 -1.121 18010
659 1 3 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.829 0.211 18010
660 1 3 . 1 1 38 38 ARG N N 48 118.490 118.490 117.549 0.941 18010
661 1 3 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.030 0.060 18010
662 1 3 . 1 1 38 38 ARG C C 48 177.700 177.700 178.381 -0.681 18010
663 1 3 . 1 1 38 38 ARG CA C 48 57.810 57.810 58.983 -1.173 18010
664 1 3 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.703 0.457 18010
665 1 3 . 1 1 38 38 ARG H H 48 8.780 8.780 8.194 0.586 18010
666 1 3 . 1 1 39 39 TYR N N 49 118.350 118.350 121.457 -3.107 18010
667 1 3 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.156 0.374 18010
668 1 3 . 1 1 39 39 TYR C C 49 176.550 176.550 177.172 -0.622 18010
669 1 3 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.555 -2.605 18010
670 1 3 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.391 0.599 18010
671 1 3 . 1 1 39 39 TYR H H 49 7.900 7.900 8.767 -0.867 18010
672 1 3 . 1 1 40 40 SER N N 50 115.790 115.790 114.957 0.833 18010
673 1 3 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010
674 1 3 . 1 1 40 40 SER C C 50 175.570 175.570 176.514 -0.944 18010
675 1 3 . 1 1 40 40 SER CA C 50 60.080 60.080 62.129 -2.049 18010
676 1 3 . 1 1 40 40 SER CB C 50 63.230 63.230 62.797 0.432 18010
677 1 3 . 1 1 40 40 SER H H 50 7.930 7.930 7.940 -0.010 18010
678 1 3 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.069 0.161 18010
679 1 3 . 1 1 41 41 ALA C C 51 178.570 178.570 179.573 -1.003 18010
680 1 3 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.886 -1.006 18010
681 1 3 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.074 0.766 18010
682 1 3 . 1 1 41 41 ALA H H 51 8.180 8.180 7.337 0.843 18010
683 1 3 . 1 1 42 42 LEU N N 52 118.900 118.900 119.320 -0.420 18010
684 1 3 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.906 0.264 18010
685 1 3 . 1 1 42 42 LEU C C 52 178.140 178.140 179.064 -0.924 18010
686 1 3 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.439 -1.279 18010
687 1 3 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.584 0.486 18010
688 1 3 . 1 1 42 42 LEU H H 52 7.790 7.790 7.978 -0.188 18010
689 1 3 . 1 1 43 43 ALA N N 53 122.850 122.850 120.814 2.036 18010
690 1 3 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.915 0.195 18010
691 1 3 . 1 1 43 43 ALA C C 53 178.490 178.490 178.875 -0.385 18010
692 1 3 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.266 -0.676 18010
693 1 3 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.659 0.181 18010
694 1 3 . 1 1 43 43 ALA H H 53 7.990 7.990 7.704 0.286 18010
695 1 3 . 1 1 44 44 LYS N N 54 118.370 118.370 117.169 1.201 18010
696 1 3 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.053 0.177 18010
697 1 3 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.569 -0.599 18010
698 1 3 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.887 -0.287 18010
699 1 3 . 1 1 44 44 LYS H H 54 7.850 7.850 7.553 0.297 18010
700 1 3 . 1 1 45 45 LEU N N 55 121.540 121.540 117.407 4.133 18010
701 1 3 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.927 0.353 18010
702 1 3 . 1 1 45 45 LEU C C 55 177.790 177.790 175.259 2.531 18010
703 1 3 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.173 -0.123 18010
704 1 3 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.034 1.186 18010
705 1 3 . 1 1 45 45 LEU H H 55 7.920 7.920 8.045 -0.125 18010
706 1 4 . 1 1 4 4 LYS N N 14 123.250 123.250 123.619 -0.369 18010
707 1 4 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.194 -0.014 18010
708 1 4 . 1 1 4 4 LYS C C 14 177.770 177.770 177.191 0.579 18010
709 1 4 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.940 0.680 18010
710 1 4 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.231 0.349 18010
711 1 4 . 1 1 4 4 LYS H H 14 8.480 8.480 8.631 -0.151 18010
712 1 4 . 1 1 5 5 GLU N N 15 121.270 121.270 120.781 0.489 18010
713 1 4 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.051 0.159 18010
714 1 4 . 1 1 5 5 GLU C C 15 177.390 177.390 178.491 -1.101 18010
715 1 4 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.440 -1.700 18010
716 1 4 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.335 0.625 18010
717 1 4 . 1 1 5 5 GLU H H 15 8.330 8.330 8.610 -0.280 18010
718 1 4 . 1 1 6 6 GLU N N 16 121.480 121.480 119.206 2.274 18010
719 1 4 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.071 0.089 18010
720 1 4 . 1 1 6 6 GLU C C 16 177.740 177.740 178.610 -0.870 18010
721 1 4 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.154 -1.414 18010
722 1 4 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.350 0.610 18010
723 1 4 . 1 1 6 6 GLU H H 16 8.350 8.350 7.703 0.647 18010
724 1 4 . 1 1 7 7 ALA N N 17 124.390 124.390 121.787 2.603 18010
725 1 4 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.142 0.048 18010
726 1 4 . 1 1 7 7 ALA C C 17 178.580 178.580 179.647 -1.067 18010
727 1 4 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.880 -1.250 18010
728 1 4 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.365 0.505 18010
729 1 4 . 1 1 7 7 ALA H H 17 8.230 8.230 8.314 -0.084 18010
730 1 4 . 1 1 8 8 LYS N N 18 119.380 119.380 118.703 0.677 18010
731 1 4 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.164 -0.154 18010
732 1 4 . 1 1 8 8 LYS C C 18 177.960 177.960 179.377 -1.417 18010
733 1 4 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.741 -1.681 18010
734 1 4 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.356 0.384 18010
735 1 4 . 1 1 8 8 LYS H H 18 8.070 8.070 7.683 0.387 18010
736 1 4 . 1 1 9 9 GLN N N 19 120.230 120.230 118.313 1.917 18010
737 1 4 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.102 0.128 18010
738 1 4 . 1 1 9 9 GLN C C 19 176.550 176.550 178.216 -1.666 18010
739 1 4 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.741 -1.551 18010
740 1 4 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.460 0.360 18010
741 1 4 . 1 1 9 9 GLN H H 19 8.140 8.140 7.866 0.274 18010
742 1 4 . 1 1 10 10 ALA N N 20 123.740 123.740 122.503 1.237 18010
743 1 4 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.071 0.129 18010
744 1 4 . 1 1 10 10 ALA C C 20 178.730 178.730 179.575 -0.845 18010
745 1 4 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.998 -1.178 18010
746 1 4 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.172 0.668 18010
747 1 4 . 1 1 10 10 ALA H H 20 8.180 8.180 7.516 0.664 18010
748 1 4 . 1 1 11 11 PHE N N 21 118.790 118.790 117.665 1.125 18010
749 1 4 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.163 0.237 18010
750 1 4 . 1 1 11 11 PHE C C 21 176.380 176.380 177.976 -1.596 18010
751 1 4 . 1 1 11 11 PHE CA C 21 59.120 59.120 62.078 -2.958 18010
752 1 4 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.757 0.563 18010
753 1 4 . 1 1 11 11 PHE H H 21 8.180 8.180 7.646 0.534 18010
754 1 4 . 1 1 12 12 LYS N N 22 120.470 120.470 119.164 1.306 18010
755 1 4 . 1 1 12 12 LYS HA H 22 4.010 4.010 4.014 -0.004 18010
756 1 4 . 1 1 12 12 LYS C C 22 177.950 177.950 178.805 -0.855 18010
757 1 4 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.907 -1.187 18010
758 1 4 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.151 0.619 18010
759 1 4 . 1 1 12 12 LYS H H 22 7.980 7.980 7.806 0.174 18010
760 1 4 . 1 1 13 13 GLU N N 23 120.060 120.060 120.560 -0.500 18010
761 1 4 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.079 0.101 18010
762 1 4 . 1 1 13 13 GLU C C 23 178.170 178.170 178.994 -0.824 18010
763 1 4 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.496 -2.656 18010
764 1 4 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.614 -0.124 18010
765 1 4 . 1 1 13 13 GLU H H 23 8.140 8.140 8.274 -0.134 18010
766 1 4 . 1 1 14 14 LEU N N 24 122.360 122.360 119.736 2.624 18010
767 1 4 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.018 0.382 18010
768 1 4 . 1 1 14 14 LEU C C 24 178.260 178.260 179.245 -0.985 18010
769 1 4 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.687 -0.847 18010
770 1 4 . 1 1 14 14 LEU CB C 24 42.090 42.090 42.038 0.052 18010
771 1 4 . 1 1 14 14 LEU H H 24 8.030 8.030 7.949 0.081 18010
772 1 4 . 1 1 15 15 LEU N N 25 120.260 120.260 117.473 2.787 18010
773 1 4 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.992 0.068 18010
774 1 4 . 1 1 15 15 LEU C C 25 177.990 177.990 178.241 -0.251 18010
775 1 4 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.210 -0.670 18010
776 1 4 . 1 1 15 15 LEU CB C 25 41.920 41.920 42.015 -0.095 18010
777 1 4 . 1 1 15 15 LEU H H 25 7.990 7.990 7.970 0.020 18010
778 1 4 . 1 1 16 16 LYS N N 26 120.680 120.680 117.631 3.049 18010
779 1 4 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.041 0.159 18010
780 1 4 . 1 1 16 16 LYS C C 26 177.940 177.940 177.461 0.479 18010
781 1 4 . 1 1 16 16 LYS CA C 26 57.610 57.610 57.873 -0.263 18010
782 1 4 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.867 -0.067 18010
783 1 4 . 1 1 16 16 LYS H H 26 7.890 7.890 7.752 0.138 18010
784 1 4 . 1 1 17 17 GLU N N 27 120.470 120.470 119.134 1.336 18010
785 1 4 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.099 0.081 18010
786 1 4 . 1 1 17 17 GLU CA C 27 57.010 57.010 57.473 -0.463 18010
787 1 4 . 1 1 17 17 GLU CB C 27 28.930 28.930 29.982 -1.052 18010
788 1 4 . 1 1 17 17 GLU H H 27 8.170 8.170 7.659 0.511 18010
789 1 4 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.194 0.056 18010
790 1 4 . 1 1 19 19 ARG C C 29 175.920 175.920 175.488 0.432 18010
791 1 4 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.661 -0.721 18010
792 1 4 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.566 -0.386 18010
793 1 4 . 1 1 20 20 VAL N N 30 121.110 121.110 116.401 4.709 18010
794 1 4 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.808 0.522 18010
795 1 4 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.401 -1.741 18010
796 1 4 . 1 1 20 20 VAL CB C 30 32.780 32.780 29.481 3.299 18010
797 1 4 . 1 1 20 20 VAL H H 30 7.990 7.990 8.502 -0.512 18010
798 1 4 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.442 -0.022 18010
799 1 4 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.165 -0.465 18010
800 1 4 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.114 0.276 18010
801 1 4 . 1 1 22 22 SER N N 32 116.500 116.500 119.446 -2.946 18010
802 1 4 . 1 1 22 22 SER HA H 32 4.310 4.310 3.897 0.413 18010
803 1 4 . 1 1 22 22 SER C C 32 174.600 174.600 174.377 0.223 18010
804 1 4 . 1 1 22 22 SER CA C 32 59.370 59.370 60.519 -1.149 18010
805 1 4 . 1 1 22 22 SER CB C 32 63.870 63.870 62.912 0.958 18010
806 1 4 . 1 1 22 22 SER H H 32 8.530 8.530 8.680 -0.150 18010
807 1 4 . 1 1 23 23 ASN N N 33 119.050 119.050 118.412 0.638 18010
808 1 4 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.729 -0.009 18010
809 1 4 . 1 1 23 23 ASN C C 33 175.220 175.220 174.606 0.614 18010
810 1 4 . 1 1 23 23 ASN CA C 33 52.950 52.950 52.793 0.157 18010
811 1 4 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.252 0.048 18010
812 1 4 . 1 1 23 23 ASN H H 33 8.310 8.310 8.103 0.207 18010
813 1 4 . 1 1 24 24 ALA N N 34 123.610 123.610 123.695 -0.085 18010
814 1 4 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.322 -0.022 18010
815 1 4 . 1 1 24 24 ALA C C 34 178.100 178.100 176.547 1.553 18010
816 1 4 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.765 0.255 18010
817 1 4 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.851 -0.591 18010
818 1 4 . 1 1 24 24 ALA H H 34 7.960 7.960 7.351 0.609 18010
819 1 4 . 1 1 25 25 SER N N 35 116.140 116.140 112.814 3.326 18010
820 1 4 . 1 1 25 25 SER HA H 35 4.490 4.490 4.536 -0.046 18010
821 1 4 . 1 1 25 25 SER C C 35 175.380 175.380 174.650 0.730 18010
822 1 4 . 1 1 25 25 SER CA C 35 58.290 58.290 57.225 1.065 18010
823 1 4 . 1 1 25 25 SER CB C 35 64.100 64.100 64.442 -0.342 18010
824 1 4 . 1 1 25 25 SER H H 35 8.350 8.350 8.102 0.248 18010
825 1 4 . 1 1 26 26 TRP N N 36 123.670 123.670 128.780 -5.110 18010
826 1 4 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.371 -0.061 18010
827 1 4 . 1 1 26 26 TRP C C 36 177.060 177.060 177.461 -0.401 18010
828 1 4 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.739 -1.548 18010
829 1 4 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.578 -0.858 18010
830 1 4 . 1 1 26 26 TRP H H 36 8.570 8.570 8.727 -0.157 18010
831 1 4 . 1 1 27 27 GLU N N 37 119.050 119.050 118.772 0.278 18010
832 1 4 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.977 -0.237 18010
833 1 4 . 1 1 27 27 GLU C C 37 178.570 178.570 178.623 -0.053 18010
834 1 4 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.452 0.008 18010
835 1 4 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.345 -0.045 18010
836 1 4 . 1 1 27 27 GLU H H 37 8.320 8.320 8.303 0.017 18010
837 1 4 . 1 1 28 28 GLN N N 38 118.900 118.900 119.070 -0.170 18010
838 1 4 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.074 -0.094 18010
839 1 4 . 1 1 28 28 GLN C C 38 177.940 177.940 178.453 -0.513 18010
840 1 4 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.327 -1.696 18010
841 1 4 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.793 1.627 18010
842 1 4 . 1 1 28 28 GLN H H 38 7.790 7.790 7.615 0.175 18010
843 1 4 . 1 1 29 29 ALA N N 39 122.810 122.810 122.765 0.045 18010
844 1 4 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.029 -0.049 18010
845 1 4 . 1 1 29 29 ALA C C 39 179.110 179.110 179.484 -0.374 18010
846 1 4 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.980 -0.420 18010
847 1 4 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.383 0.197 18010
848 1 4 . 1 1 29 29 ALA H H 39 8.170 8.170 8.505 -0.335 18010
849 1 4 . 1 1 30 30 MET N N 40 116.270 116.270 117.143 -0.873 18010
850 1 4 . 1 1 30 30 MET HA H 40 4.070 4.070 4.037 0.033 18010
851 1 4 . 1 1 30 30 MET C C 40 177.710 177.710 178.675 -0.965 18010
852 1 4 . 1 1 30 30 MET CA C 40 56.930 56.930 59.233 -2.303 18010
853 1 4 . 1 1 30 30 MET CB C 40 32.000 32.000 32.601 -0.601 18010
854 1 4 . 1 1 30 30 MET H H 40 8.150 8.150 8.203 -0.053 18010
855 1 4 . 1 1 31 31 LYS N N 41 118.730 118.730 119.186 -0.456 18010
856 1 4 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.980 -0.020 18010
857 1 4 . 1 1 31 31 LYS C C 41 177.860 177.860 179.075 -1.215 18010
858 1 4 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.539 -0.959 18010
859 1 4 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.219 0.221 18010
860 1 4 . 1 1 31 31 LYS H H 41 7.620 7.620 7.566 0.054 18010
861 1 4 . 1 1 32 32 MET N N 42 117.330 117.330 118.635 -1.305 18010
862 1 4 . 1 1 32 32 MET HA H 42 4.260 4.260 4.086 0.174 18010
863 1 4 . 1 1 32 32 MET C C 42 177.460 177.460 178.648 -1.188 18010
864 1 4 . 1 1 32 32 MET CA C 42 57.230 57.230 59.463 -2.233 18010
865 1 4 . 1 1 32 32 MET CB C 42 32.850 32.850 32.770 0.080 18010
866 1 4 . 1 1 32 32 MET H H 42 7.680 7.680 8.147 -0.467 18010
867 1 4 . 1 1 33 33 ILE N N 43 118.210 118.210 115.590 2.620 18010
868 1 4 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.779 0.271 18010
869 1 4 . 1 1 33 33 ILE C C 43 176.780 176.780 176.958 -0.178 18010
870 1 4 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.909 -1.079 18010
871 1 4 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.537 1.163 18010
872 1 4 . 1 1 33 33 ILE H H 43 7.740 7.740 7.437 0.303 18010
873 1 4 . 1 1 34 34 ILE N N 44 119.000 119.000 118.903 0.097 18010
874 1 4 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.275 0.835 18010
875 1 4 . 1 1 34 34 ILE C C 44 175.920 175.920 177.335 -1.415 18010
876 1 4 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.107 -1.427 18010
877 1 4 . 1 1 34 34 ILE CB C 44 38.910 38.910 38.009 0.901 18010
878 1 4 . 1 1 34 34 ILE H H 44 7.770 7.770 7.378 0.392 18010
879 1 4 . 1 1 35 35 ASN N N 45 118.210 118.210 116.094 2.116 18010
880 1 4 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.551 0.169 18010
881 1 4 . 1 1 35 35 ASN C C 45 174.600 174.600 175.565 -0.965 18010
882 1 4 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.681 -1.451 18010
883 1 4 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.594 0.496 18010
884 1 4 . 1 1 35 35 ASN H H 45 7.870 7.870 7.743 0.127 18010
885 1 4 . 1 1 36 36 ASP N N 46 123.510 123.510 121.543 1.967 18010
886 1 4 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.635 0.295 18010
887 1 4 . 1 1 36 36 ASP C C 46 175.630 175.630 176.325 -0.695 18010
888 1 4 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.242 -1.272 18010
889 1 4 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.473 1.657 18010
890 1 4 . 1 1 36 36 ASP H H 46 7.920 7.920 7.404 0.516 18010
891 1 4 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.199 0.251 18010
892 1 4 . 1 1 37 37 PRO C C 47 178.100 178.100 178.480 -0.380 18010
893 1 4 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.193 -1.103 18010
894 1 4 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.963 0.077 18010
895 1 4 . 1 1 38 38 ARG N N 48 118.490 118.490 117.312 1.178 18010
896 1 4 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.032 0.058 18010
897 1 4 . 1 1 38 38 ARG C C 48 177.700 177.700 178.571 -0.871 18010
898 1 4 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.255 -1.445 18010
899 1 4 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.056 0.104 18010
900 1 4 . 1 1 38 38 ARG H H 48 8.780 8.780 7.987 0.793 18010
901 1 4 . 1 1 39 39 TYR N N 49 118.350 118.350 120.869 -2.519 18010
902 1 4 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.153 0.377 18010
903 1 4 . 1 1 39 39 TYR C C 49 176.550 176.550 177.101 -0.551 18010
904 1 4 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.461 -2.511 18010
905 1 4 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.098 0.892 18010
906 1 4 . 1 1 39 39 TYR H H 49 7.900 7.900 8.474 -0.574 18010
907 1 4 . 1 1 40 40 SER N N 50 115.790 115.790 115.345 0.445 18010
908 1 4 . 1 1 40 40 SER HA H 50 4.230 4.230 3.855 0.375 18010
909 1 4 . 1 1 40 40 SER C C 50 175.570 175.570 176.368 -0.798 18010
910 1 4 . 1 1 40 40 SER CA C 50 60.080 60.080 61.782 -1.702 18010
911 1 4 . 1 1 40 40 SER CB C 50 63.230 63.230 62.699 0.531 18010
912 1 4 . 1 1 40 40 SER H H 50 7.930 7.930 7.720 0.210 18010
913 1 4 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.088 0.142 18010
914 1 4 . 1 1 41 41 ALA C C 51 178.570 178.570 179.116 -0.546 18010
915 1 4 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.713 -0.833 18010
916 1 4 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.279 0.561 18010
917 1 4 . 1 1 41 41 ALA H H 51 8.180 8.180 7.311 0.869 18010
918 1 4 . 1 1 42 42 LEU N N 52 118.900 118.900 119.769 -0.869 18010
919 1 4 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.913 0.257 18010
920 1 4 . 1 1 42 42 LEU C C 52 178.140 178.140 178.523 -0.383 18010
921 1 4 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.582 -1.422 18010
922 1 4 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.865 0.204 18010
923 1 4 . 1 1 42 42 LEU H H 52 7.790 7.790 7.755 0.035 18010
924 1 4 . 1 1 43 43 ALA N N 53 122.850 122.850 120.527 2.323 18010
925 1 4 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.912 0.198 18010
926 1 4 . 1 1 43 43 ALA C C 53 178.490 178.490 178.952 -0.462 18010
927 1 4 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.158 -0.568 18010
928 1 4 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.569 0.271 18010
929 1 4 . 1 1 43 43 ALA H H 53 7.990 7.990 7.757 0.233 18010
930 1 4 . 1 1 44 44 LYS N N 54 118.370 118.370 117.913 0.457 18010
931 1 4 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.082 0.148 18010
932 1 4 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.475 -0.505 18010
933 1 4 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.866 -0.266 18010
934 1 4 . 1 1 44 44 LYS H H 54 7.850 7.850 7.443 0.407 18010
935 1 4 . 1 1 45 45 LEU N N 55 121.540 121.540 117.706 3.834 18010
936 1 4 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.889 0.391 18010
937 1 4 . 1 1 45 45 LEU C C 55 177.790 177.790 175.446 2.344 18010
938 1 4 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.308 -0.258 18010
939 1 4 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.102 1.117 18010
940 1 4 . 1 1 45 45 LEU H H 55 7.920 7.920 7.909 0.011 18010
941 1 5 . 1 1 4 4 LYS N N 14 123.250 123.250 121.784 1.466 18010
942 1 5 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.321 -0.141 18010
943 1 5 . 1 1 4 4 LYS C C 14 177.770 177.770 177.495 0.275 18010
944 1 5 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.142 0.478 18010
945 1 5 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.088 0.492 18010
946 1 5 . 1 1 4 4 LYS H H 14 8.480 8.480 8.486 -0.006 18010
947 1 5 . 1 1 5 5 GLU N N 15 121.270 121.270 121.041 0.229 18010
948 1 5 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.999 0.211 18010
949 1 5 . 1 1 5 5 GLU C C 15 177.390 177.390 178.253 -0.863 18010
950 1 5 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.438 -1.698 18010
951 1 5 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.225 0.735 18010
952 1 5 . 1 1 5 5 GLU H H 15 8.330 8.330 8.508 -0.178 18010
953 1 5 . 1 1 6 6 GLU N N 16 121.480 121.480 119.737 1.743 18010
954 1 5 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.056 0.104 18010
955 1 5 . 1 1 6 6 GLU C C 16 177.740 177.740 178.170 -0.430 18010
956 1 5 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.303 -1.563 18010
957 1 5 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.507 0.453 18010
958 1 5 . 1 1 6 6 GLU H H 16 8.350 8.350 7.639 0.711 18010
959 1 5 . 1 1 7 7 ALA N N 17 124.390 124.390 121.630 2.760 18010
960 1 5 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.111 0.079 18010
961 1 5 . 1 1 7 7 ALA C C 17 178.580 178.580 179.838 -1.258 18010
962 1 5 . 1 1 7 7 ALA CA C 17 53.630 53.630 55.027 -1.397 18010
963 1 5 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.238 0.632 18010
964 1 5 . 1 1 7 7 ALA H H 17 8.230 8.230 8.306 -0.076 18010
965 1 5 . 1 1 8 8 LYS N N 18 119.380 119.380 118.861 0.519 18010
966 1 5 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.976 0.034 18010
967 1 5 . 1 1 8 8 LYS C C 18 177.960 177.960 179.255 -1.295 18010
968 1 5 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.771 -1.711 18010
969 1 5 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.284 0.456 18010
970 1 5 . 1 1 8 8 LYS H H 18 8.070 8.070 7.651 0.419 18010
971 1 5 . 1 1 9 9 GLN N N 19 120.230 120.230 118.703 1.527 18010
972 1 5 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.085 0.145 18010
973 1 5 . 1 1 9 9 GLN C C 19 176.550 176.550 178.498 -1.948 18010
974 1 5 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.763 -1.573 18010
975 1 5 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.609 0.211 18010
976 1 5 . 1 1 9 9 GLN H H 19 8.140 8.140 7.682 0.458 18010
977 1 5 . 1 1 10 10 ALA N N 20 123.740 123.740 122.863 0.877 18010
978 1 5 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.132 0.068 18010
979 1 5 . 1 1 10 10 ALA C C 20 178.730 178.730 179.198 -0.468 18010
980 1 5 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.784 -0.964 18010
981 1 5 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.450 0.390 18010
982 1 5 . 1 1 10 10 ALA H H 20 8.180 8.180 7.727 0.453 18010
983 1 5 . 1 1 11 11 PHE N N 21 118.790 118.790 119.176 -0.386 18010
984 1 5 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.144 0.256 18010
985 1 5 . 1 1 11 11 PHE C C 21 176.380 176.380 177.307 -0.927 18010
986 1 5 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.514 -2.394 18010
987 1 5 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.264 0.056 18010
988 1 5 . 1 1 11 11 PHE H H 21 8.180 8.180 7.945 0.235 18010
989 1 5 . 1 1 12 12 LYS N N 22 120.470 120.470 118.679 1.791 18010
990 1 5 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.840 0.170 18010
991 1 5 . 1 1 12 12 LYS C C 22 177.950 177.950 179.079 -1.129 18010
992 1 5 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.009 -1.289 18010
993 1 5 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.255 0.515 18010
994 1 5 . 1 1 12 12 LYS H H 22 7.980 7.980 7.866 0.114 18010
995 1 5 . 1 1 13 13 GLU N N 23 120.060 120.060 120.123 -0.063 18010
996 1 5 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.039 0.141 18010
997 1 5 . 1 1 13 13 GLU C C 23 178.170 178.170 179.120 -0.950 18010
998 1 5 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.258 -2.418 18010
999 1 5 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.567 -0.077 18010
1000 1 5 . 1 1 13 13 GLU H H 23 8.140 8.140 7.951 0.189 18010
1001 1 5 . 1 1 14 14 LEU N N 24 122.360 122.360 120.639 1.721 18010
1002 1 5 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.989 0.411 18010
1003 1 5 . 1 1 14 14 LEU C C 24 178.260 178.260 179.123 -0.863 18010
1004 1 5 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.940 -1.100 18010
1005 1 5 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.848 0.242 18010
1006 1 5 . 1 1 14 14 LEU H H 24 8.030 8.030 8.273 -0.243 18010
1007 1 5 . 1 1 15 15 LEU N N 25 120.260 120.260 117.809 2.451 18010
1008 1 5 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.804 0.256 18010
1009 1 5 . 1 1 15 15 LEU C C 25 177.990 177.990 178.103 -0.113 18010
1010 1 5 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.479 -0.939 18010
1011 1 5 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.554 0.366 18010
1012 1 5 . 1 1 15 15 LEU H H 25 7.990 7.990 7.646 0.344 18010
1013 1 5 . 1 1 16 16 LYS N N 26 120.680 120.680 115.765 4.915 18010
1014 1 5 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.973 0.227 18010
1015 1 5 . 1 1 16 16 LYS C C 26 177.940 177.940 178.282 -0.342 18010
1016 1 5 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.790 -1.180 18010
1017 1 5 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.669 0.131 18010
1018 1 5 . 1 1 16 16 LYS H H 26 7.890 7.890 7.526 0.364 18010
1019 1 5 . 1 1 17 17 GLU N N 27 120.470 120.470 118.096 2.374 18010
1020 1 5 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.144 0.036 18010
1021 1 5 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.047 -1.037 18010
1022 1 5 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.205 -1.275 18010
1023 1 5 . 1 1 17 17 GLU H H 27 8.170 8.170 7.863 0.307 18010
1024 1 5 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.182 0.068 18010
1025 1 5 . 1 1 19 19 ARG C C 29 175.920 175.920 175.325 0.595 18010
1026 1 5 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.450 -0.510 18010
1027 1 5 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.742 -0.562 18010
1028 1 5 . 1 1 20 20 VAL N N 30 121.110 121.110 123.054 -1.944 18010
1029 1 5 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.333 -0.003 18010
1030 1 5 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.728 -0.068 18010
1031 1 5 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.073 0.707 18010
1032 1 5 . 1 1 20 20 VAL H H 30 7.990 7.990 8.222 -0.232 18010
1033 1 5 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.515 -0.095 18010
1034 1 5 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.029 -0.329 18010
1035 1 5 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.364 0.026 18010
1036 1 5 . 1 1 22 22 SER N N 32 116.500 116.500 118.610 -2.110 18010
1037 1 5 . 1 1 22 22 SER HA H 32 4.310 4.310 4.002 0.308 18010
1038 1 5 . 1 1 22 22 SER C C 32 174.600 174.600 175.303 -0.703 18010
1039 1 5 . 1 1 22 22 SER CA C 32 59.370 59.370 60.949 -1.579 18010
1040 1 5 . 1 1 22 22 SER CB C 32 63.870 63.870 63.220 0.650 18010
1041 1 5 . 1 1 22 22 SER H H 32 8.530 8.530 8.555 -0.025 18010
1042 1 5 . 1 1 23 23 ASN N N 33 119.050 119.050 120.284 -1.234 18010
1043 1 5 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.588 0.132 18010
1044 1 5 . 1 1 23 23 ASN C C 33 175.220 175.220 175.945 -0.725 18010
1045 1 5 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.824 -0.874 18010
1046 1 5 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.106 0.194 18010
1047 1 5 . 1 1 23 23 ASN H H 33 8.310 8.310 8.362 -0.052 18010
1048 1 5 . 1 1 24 24 ALA N N 34 123.610 123.610 123.041 0.569 18010
1049 1 5 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.286 0.014 18010
1050 1 5 . 1 1 24 24 ALA C C 34 178.100 178.100 177.548 0.552 18010
1051 1 5 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.531 0.489 18010
1052 1 5 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.308 -0.048 18010
1053 1 5 . 1 1 24 24 ALA H H 34 7.960 7.960 7.477 0.483 18010
1054 1 5 . 1 1 25 25 SER N N 35 116.140 116.140 111.101 5.039 18010
1055 1 5 . 1 1 25 25 SER HA H 35 4.490 4.490 4.499 -0.009 18010
1056 1 5 . 1 1 25 25 SER C C 35 175.380 175.380 174.374 1.006 18010
1057 1 5 . 1 1 25 25 SER CA C 35 58.290 58.290 57.602 0.688 18010
1058 1 5 . 1 1 25 25 SER CB C 35 64.100 64.100 64.690 -0.590 18010
1059 1 5 . 1 1 25 25 SER H H 35 8.350 8.350 7.908 0.442 18010
1060 1 5 . 1 1 26 26 TRP N N 36 123.670 123.670 122.841 0.829 18010
1061 1 5 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.375 -0.065 18010
1062 1 5 . 1 1 26 26 TRP C C 36 177.060 177.060 178.304 -1.244 18010
1063 1 5 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.164 -1.974 18010
1064 1 5 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.186 -0.466 18010
1065 1 5 . 1 1 26 26 TRP H H 36 8.570 8.570 8.793 -0.223 18010
1066 1 5 . 1 1 27 27 GLU N N 37 119.050 119.050 118.134 0.916 18010
1067 1 5 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.099 -0.359 18010
1068 1 5 . 1 1 27 27 GLU C C 37 178.570 178.570 179.230 -0.660 18010
1069 1 5 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.900 -0.440 18010
1070 1 5 . 1 1 27 27 GLU CB C 37 29.300 29.300 28.759 0.541 18010
1071 1 5 . 1 1 27 27 GLU H H 37 8.320 8.320 8.782 -0.462 18010
1072 1 5 . 1 1 28 28 GLN N N 38 118.900 118.900 119.169 -0.269 18010
1073 1 5 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.132 -0.152 18010
1074 1 5 . 1 1 28 28 GLN C C 38 177.940 177.940 178.451 -0.511 18010
1075 1 5 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.391 -1.761 18010
1076 1 5 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.704 1.716 18010
1077 1 5 . 1 1 28 28 GLN H H 38 7.790 7.790 7.503 0.287 18010
1078 1 5 . 1 1 29 29 ALA N N 39 122.810 122.810 123.045 -0.235 18010
1079 1 5 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.974 0.006 18010
1080 1 5 . 1 1 29 29 ALA C C 39 179.110 179.110 179.446 -0.336 18010
1081 1 5 . 1 1 29 29 ALA CA C 39 54.560 54.560 55.182 -0.622 18010
1082 1 5 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.409 0.171 18010
1083 1 5 . 1 1 29 29 ALA H H 39 8.170 8.170 8.462 -0.292 18010
1084 1 5 . 1 1 30 30 MET N N 40 116.270 116.270 117.190 -0.920 18010
1085 1 5 . 1 1 30 30 MET HA H 40 4.070 4.070 4.156 -0.086 18010
1086 1 5 . 1 1 30 30 MET C C 40 177.710 177.710 178.672 -0.962 18010
1087 1 5 . 1 1 30 30 MET CA C 40 56.930 56.930 59.208 -2.278 18010
1088 1 5 . 1 1 30 30 MET CB C 40 32.000 32.000 32.681 -0.681 18010
1089 1 5 . 1 1 30 30 MET H H 40 8.150 8.150 8.289 -0.139 18010
1090 1 5 . 1 1 31 31 LYS N N 41 118.730 118.730 118.927 -0.197 18010
1091 1 5 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.955 0.005 18010
1092 1 5 . 1 1 31 31 LYS C C 41 177.860 177.860 179.027 -1.167 18010
1093 1 5 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.453 -0.873 18010
1094 1 5 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.107 0.333 18010
1095 1 5 . 1 1 31 31 LYS H H 41 7.620 7.620 7.567 0.053 18010
1096 1 5 . 1 1 32 32 MET N N 42 117.330 117.330 118.346 -1.016 18010
1097 1 5 . 1 1 32 32 MET HA H 42 4.260 4.260 4.180 0.080 18010
1098 1 5 . 1 1 32 32 MET C C 42 177.460 177.460 178.755 -1.295 18010
1099 1 5 . 1 1 32 32 MET CA C 42 57.230 57.230 58.018 -0.788 18010
1100 1 5 . 1 1 32 32 MET CB C 42 32.850 32.850 32.118 0.732 18010
1101 1 5 . 1 1 32 32 MET H H 42 7.680 7.680 7.801 -0.121 18010
1102 1 5 . 1 1 33 33 ILE N N 43 118.210 118.210 115.805 2.405 18010
1103 1 5 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.873 0.177 18010
1104 1 5 . 1 1 33 33 ILE C C 43 176.780 176.780 178.149 -1.369 18010
1105 1 5 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.911 -1.081 18010
1106 1 5 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.679 1.021 18010
1107 1 5 . 1 1 33 33 ILE H H 43 7.740 7.740 7.475 0.265 18010
1108 1 5 . 1 1 34 34 ILE N N 44 119.000 119.000 119.367 -0.367 18010
1109 1 5 . 1 1 34 34 ILE HA H 44 4.110 4.110 2.962 1.148 18010
1110 1 5 . 1 1 34 34 ILE C C 44 175.920 175.920 176.953 -1.033 18010
1111 1 5 . 1 1 34 34 ILE CA C 44 62.680 62.680 63.263 -0.583 18010
1112 1 5 . 1 1 34 34 ILE CB C 44 38.910 38.910 36.953 1.958 18010
1113 1 5 . 1 1 34 34 ILE H H 44 7.770 7.770 7.390 0.380 18010
1114 1 5 . 1 1 35 35 ASN N N 45 118.210 118.210 116.417 1.793 18010
1115 1 5 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.546 0.174 18010
1116 1 5 . 1 1 35 35 ASN C C 45 174.600 174.600 175.646 -1.046 18010
1117 1 5 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.384 -1.154 18010
1118 1 5 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.756 0.334 18010
1119 1 5 . 1 1 35 35 ASN H H 45 7.870 7.870 7.648 0.222 18010
1120 1 5 . 1 1 36 36 ASP N N 46 123.510 123.510 121.669 1.841 18010
1121 1 5 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.592 0.338 18010
1122 1 5 . 1 1 36 36 ASP C C 46 175.630 175.630 176.089 -0.459 18010
1123 1 5 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.543 -2.573 18010
1124 1 5 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.378 1.752 18010
1125 1 5 . 1 1 36 36 ASP H H 46 7.920 7.920 7.451 0.469 18010
1126 1 5 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.198 0.252 18010
1127 1 5 . 1 1 37 37 PRO C C 47 178.100 178.100 178.473 -0.373 18010
1128 1 5 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.221 -1.131 18010
1129 1 5 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.881 0.159 18010
1130 1 5 . 1 1 38 38 ARG N N 48 118.490 118.490 115.754 2.736 18010
1131 1 5 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.148 -0.058 18010
1132 1 5 . 1 1 38 38 ARG C C 48 177.700 177.700 178.789 -1.089 18010
1133 1 5 . 1 1 38 38 ARG CA C 48 57.810 57.810 58.364 -0.554 18010
1134 1 5 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.723 0.437 18010
1135 1 5 . 1 1 38 38 ARG H H 48 8.780 8.780 8.308 0.472 18010
1136 1 5 . 1 1 39 39 TYR N N 49 118.350 118.350 122.542 -4.192 18010
1137 1 5 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.158 0.372 18010
1138 1 5 . 1 1 39 39 TYR C C 49 176.550 176.550 176.986 -0.436 18010
1139 1 5 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.307 -2.357 18010
1140 1 5 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.344 0.646 18010
1141 1 5 . 1 1 39 39 TYR H H 49 7.900 7.900 8.726 -0.826 18010
1142 1 5 . 1 1 40 40 SER N N 50 115.790 115.790 115.492 0.298 18010
1143 1 5 . 1 1 40 40 SER HA H 50 4.230 4.230 3.961 0.269 18010
1144 1 5 . 1 1 40 40 SER C C 50 175.570 175.570 176.308 -0.738 18010
1145 1 5 . 1 1 40 40 SER CA C 50 60.080 60.080 61.132 -1.052 18010
1146 1 5 . 1 1 40 40 SER CB C 50 63.230 63.230 62.792 0.438 18010
1147 1 5 . 1 1 40 40 SER H H 50 7.930 7.930 8.015 -0.085 18010
1148 1 5 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.105 0.125 18010
1149 1 5 . 1 1 41 41 ALA C C 51 178.570 178.570 179.241 -0.671 18010
1150 1 5 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.576 -0.696 18010
1151 1 5 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.209 0.631 18010
1152 1 5 . 1 1 41 41 ALA H H 51 8.180 8.180 7.824 0.356 18010
1153 1 5 . 1 1 42 42 LEU N N 52 118.900 118.900 119.451 -0.551 18010
1154 1 5 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.868 0.302 18010
1155 1 5 . 1 1 42 42 LEU C C 52 178.140 178.140 178.798 -0.658 18010
1156 1 5 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.232 -1.072 18010
1157 1 5 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.349 0.721 18010
1158 1 5 . 1 1 42 42 LEU H H 52 7.790 7.790 7.731 0.059 18010
1159 1 5 . 1 1 43 43 ALA N N 53 122.850 122.850 120.713 2.137 18010
1160 1 5 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.952 0.158 18010
1161 1 5 . 1 1 43 43 ALA C C 53 178.490 178.490 179.022 -0.532 18010
1162 1 5 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.105 -0.515 18010
1163 1 5 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.619 0.221 18010
1164 1 5 . 1 1 43 43 ALA H H 53 7.990 7.990 7.669 0.321 18010
1165 1 5 . 1 1 44 44 LYS N N 54 118.370 118.370 117.983 0.387 18010
1166 1 5 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.091 0.139 18010
1167 1 5 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.477 -0.506 18010
1168 1 5 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.888 -0.288 18010
1169 1 5 . 1 1 44 44 LYS H H 54 7.850 7.850 7.511 0.339 18010
1170 1 5 . 1 1 45 45 LEU N N 55 121.540 121.540 117.666 3.874 18010
1171 1 5 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.910 0.370 18010
1172 1 5 . 1 1 45 45 LEU C C 55 177.790 177.790 175.621 2.169 18010
1173 1 5 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.087 -0.037 18010
1174 1 5 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.162 1.058 18010
1175 1 5 . 1 1 45 45 LEU H H 55 7.920 7.920 8.011 -0.091 18010
1176 1 6 . 1 1 4 4 LYS N N 14 123.250 123.250 119.169 4.081 18010
1177 1 6 . 1 1 4 4 LYS HA H 14 4.180 4.180 3.950 0.230 18010
1178 1 6 . 1 1 4 4 LYS C C 14 177.770 177.770 177.200 0.570 18010
1179 1 6 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.226 0.394 18010
1180 1 6 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.387 1.193 18010
1181 1 6 . 1 1 4 4 LYS H H 14 8.480 8.480 8.500 -0.020 18010
1182 1 6 . 1 1 5 5 GLU N N 15 121.270 121.270 119.927 1.343 18010
1183 1 6 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.016 0.194 18010
1184 1 6 . 1 1 5 5 GLU C C 15 177.390 177.390 178.499 -1.109 18010
1185 1 6 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.427 -1.687 18010
1186 1 6 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.668 0.292 18010
1187 1 6 . 1 1 5 5 GLU H H 15 8.330 8.330 8.853 -0.523 18010
1188 1 6 . 1 1 6 6 GLU N N 16 121.480 121.480 119.845 1.635 18010
1189 1 6 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.301 -0.141 18010
1190 1 6 . 1 1 6 6 GLU C C 16 177.740 177.740 179.103 -1.363 18010
1191 1 6 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.392 -1.652 18010
1192 1 6 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.396 0.564 18010
1193 1 6 . 1 1 6 6 GLU H H 16 8.350 8.350 8.736 -0.386 18010
1194 1 6 . 1 1 7 7 ALA N N 17 124.390 124.390 122.064 2.326 18010
1195 1 6 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.182 0.008 18010
1196 1 6 . 1 1 7 7 ALA C C 17 178.580 178.580 179.226 -0.646 18010
1197 1 6 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.704 -1.074 18010
1198 1 6 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.182 0.688 18010
1199 1 6 . 1 1 7 7 ALA H H 17 8.230 8.230 8.135 0.095 18010
1200 1 6 . 1 1 8 8 LYS N N 18 119.380 119.380 118.899 0.481 18010
1201 1 6 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.999 0.011 18010
1202 1 6 . 1 1 8 8 LYS C C 18 177.960 177.960 179.005 -1.045 18010
1203 1 6 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.340 -1.280 18010
1204 1 6 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.365 0.375 18010
1205 1 6 . 1 1 8 8 LYS H H 18 8.070 8.070 7.840 0.230 18010
1206 1 6 . 1 1 9 9 GLN N N 19 120.230 120.230 118.078 2.152 18010
1207 1 6 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.118 0.112 18010
1208 1 6 . 1 1 9 9 GLN C C 19 176.550 176.550 178.378 -1.828 18010
1209 1 6 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.423 -1.233 18010
1210 1 6 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.591 0.229 18010
1211 1 6 . 1 1 9 9 GLN H H 19 8.140 8.140 7.935 0.205 18010
1212 1 6 . 1 1 10 10 ALA N N 20 123.740 123.740 122.722 1.018 18010
1213 1 6 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.120 0.080 18010
1214 1 6 . 1 1 10 10 ALA C C 20 178.730 178.730 178.804 -0.074 18010
1215 1 6 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.895 -1.075 18010
1216 1 6 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.424 0.416 18010
1217 1 6 . 1 1 10 10 ALA H H 20 8.180 8.180 7.733 0.447 18010
1218 1 6 . 1 1 11 11 PHE N N 21 118.790 118.790 119.053 -0.263 18010
1219 1 6 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.168 0.232 18010
1220 1 6 . 1 1 11 11 PHE C C 21 176.380 176.380 177.178 -0.798 18010
1221 1 6 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.331 -2.211 18010
1222 1 6 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.240 0.080 18010
1223 1 6 . 1 1 11 11 PHE H H 21 8.180 8.180 7.685 0.495 18010
1224 1 6 . 1 1 12 12 LYS N N 22 120.470 120.470 118.594 1.876 18010
1225 1 6 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.796 0.214 18010
1226 1 6 . 1 1 12 12 LYS C C 22 177.950 177.950 178.668 -0.718 18010
1227 1 6 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.812 -1.093 18010
1228 1 6 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.179 0.591 18010
1229 1 6 . 1 1 12 12 LYS H H 22 7.980 7.980 7.677 0.303 18010
1230 1 6 . 1 1 13 13 GLU N N 23 120.060 120.060 120.248 -0.188 18010
1231 1 6 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.042 0.138 18010
1232 1 6 . 1 1 13 13 GLU C C 23 178.170 178.170 178.843 -0.673 18010
1233 1 6 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.243 -2.403 18010
1234 1 6 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.726 -0.236 18010
1235 1 6 . 1 1 13 13 GLU H H 23 8.140 8.140 7.888 0.252 18010
1236 1 6 . 1 1 14 14 LEU N N 24 122.360 122.360 121.580 0.780 18010
1237 1 6 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.041 0.359 18010
1238 1 6 . 1 1 14 14 LEU C C 24 178.260 178.260 178.478 -0.218 18010
1239 1 6 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.703 -0.863 18010
1240 1 6 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.796 0.294 18010
1241 1 6 . 1 1 14 14 LEU H H 24 8.030 8.030 7.973 0.057 18010
1242 1 6 . 1 1 15 15 LEU N N 25 120.260 120.260 118.921 1.339 18010
1243 1 6 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.741 0.319 18010
1244 1 6 . 1 1 15 15 LEU C C 25 177.990 177.990 178.770 -0.780 18010
1245 1 6 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.539 -0.999 18010
1246 1 6 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.452 0.468 18010
1247 1 6 . 1 1 15 15 LEU H H 25 7.990 7.990 7.459 0.531 18010
1248 1 6 . 1 1 16 16 LYS N N 26 120.680 120.680 117.961 2.719 18010
1249 1 6 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.946 0.254 18010
1250 1 6 . 1 1 16 16 LYS C C 26 177.940 177.940 178.124 -0.184 18010
1251 1 6 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.114 -1.504 18010
1252 1 6 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.493 0.307 18010
1253 1 6 . 1 1 16 16 LYS H H 26 7.890 7.890 7.712 0.178 18010
1254 1 6 . 1 1 17 17 GLU N N 27 120.470 120.470 118.170 2.300 18010
1255 1 6 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.107 0.073 18010
1256 1 6 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.226 -1.216 18010
1257 1 6 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.119 -1.189 18010
1258 1 6 . 1 1 17 17 GLU H H 27 8.170 8.170 7.768 0.402 18010
1259 1 6 . 1 1 19 19 ARG HA H 29 4.250 4.250 3.991 0.259 18010
1260 1 6 . 1 1 19 19 ARG C C 29 175.920 175.920 176.036 -0.116 18010
1261 1 6 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.999 -2.059 18010
1262 1 6 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.395 -0.215 18010
1263 1 6 . 1 1 20 20 VAL N N 30 121.110 121.110 117.469 3.641 18010
1264 1 6 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.779 0.551 18010
1265 1 6 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.019 -2.359 18010
1266 1 6 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.112 2.668 18010
1267 1 6 . 1 1 20 20 VAL H H 30 7.990 7.990 8.105 -0.115 18010
1268 1 6 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.405 0.015 18010
1269 1 6 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.167 -0.467 18010
1270 1 6 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.495 -0.105 18010
1271 1 6 . 1 1 22 22 SER N N 32 116.500 116.500 117.905 -1.405 18010
1272 1 6 . 1 1 22 22 SER HA H 32 4.310 4.310 4.059 0.251 18010
1273 1 6 . 1 1 22 22 SER C C 32 174.600 174.600 175.424 -0.824 18010
1274 1 6 . 1 1 22 22 SER CA C 32 59.370 59.370 60.642 -1.272 18010
1275 1 6 . 1 1 22 22 SER CB C 32 63.870 63.870 63.308 0.562 18010
1276 1 6 . 1 1 22 22 SER H H 32 8.530 8.530 8.546 -0.016 18010
1277 1 6 . 1 1 23 23 ASN N N 33 119.050 119.050 119.561 -0.511 18010
1278 1 6 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.558 0.162 18010
1279 1 6 . 1 1 23 23 ASN C C 33 175.220 175.220 175.634 -0.414 18010
1280 1 6 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.755 -0.805 18010
1281 1 6 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.946 0.354 18010
1282 1 6 . 1 1 23 23 ASN H H 33 8.310 8.310 8.255 0.055 18010
1283 1 6 . 1 1 24 24 ALA N N 34 123.610 123.610 122.837 0.773 18010
1284 1 6 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.469 -0.169 18010
1285 1 6 . 1 1 24 24 ALA C C 34 178.100 178.100 176.925 1.175 18010
1286 1 6 . 1 1 24 24 ALA CA C 34 53.020 53.020 51.895 1.125 18010
1287 1 6 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.883 -0.623 18010
1288 1 6 . 1 1 24 24 ALA H H 34 7.960 7.960 7.566 0.394 18010
1289 1 6 . 1 1 25 25 SER N N 35 116.140 116.140 118.557 -2.417 18010
1290 1 6 . 1 1 25 25 SER HA H 35 4.490 4.490 4.483 0.007 18010
1291 1 6 . 1 1 25 25 SER C C 35 175.380 175.380 175.761 -0.381 18010
1292 1 6 . 1 1 25 25 SER CA C 35 58.290 58.290 57.327 0.963 18010
1293 1 6 . 1 1 25 25 SER CB C 35 64.100 64.100 65.090 -0.990 18010
1294 1 6 . 1 1 25 25 SER H H 35 8.350 8.350 8.471 -0.121 18010
1295 1 6 . 1 1 26 26 TRP N N 36 123.670 123.670 121.302 2.368 18010
1296 1 6 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.441 -0.131 18010
1297 1 6 . 1 1 26 26 TRP C C 36 177.060 177.060 178.441 -1.381 18010
1298 1 6 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.322 -2.132 18010
1299 1 6 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.452 -0.732 18010
1300 1 6 . 1 1 26 26 TRP H H 36 8.570 8.570 8.796 -0.226 18010
1301 1 6 . 1 1 27 27 GLU N N 37 119.050 119.050 119.126 -0.076 18010
1302 1 6 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.026 -0.286 18010
1303 1 6 . 1 1 27 27 GLU C C 37 178.570 178.570 179.260 -0.690 18010
1304 1 6 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.622 -0.162 18010
1305 1 6 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.301 -0.001 18010
1306 1 6 . 1 1 27 27 GLU H H 37 8.320 8.320 8.053 0.267 18010
1307 1 6 . 1 1 28 28 GLN N N 38 118.900 118.900 118.936 -0.036 18010
1308 1 6 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.084 -0.104 18010
1309 1 6 . 1 1 28 28 GLN C C 38 177.940 177.940 178.498 -0.558 18010
1310 1 6 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.512 -1.882 18010
1311 1 6 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.691 1.729 18010
1312 1 6 . 1 1 28 28 GLN H H 38 7.790 7.790 7.570 0.220 18010
1313 1 6 . 1 1 29 29 ALA N N 39 122.810 122.810 122.618 0.192 18010
1314 1 6 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.042 -0.062 18010
1315 1 6 . 1 1 29 29 ALA C C 39 179.110 179.110 179.474 -0.364 18010
1316 1 6 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.890 -0.330 18010
1317 1 6 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.399 0.181 18010
1318 1 6 . 1 1 29 29 ALA H H 39 8.170 8.170 8.345 -0.175 18010
1319 1 6 . 1 1 30 30 MET N N 40 116.270 116.270 117.214 -0.944 18010
1320 1 6 . 1 1 30 30 MET HA H 40 4.070 4.070 4.076 -0.006 18010
1321 1 6 . 1 1 30 30 MET C C 40 177.710 177.710 178.670 -0.960 18010
1322 1 6 . 1 1 30 30 MET CA C 40 56.930 56.930 59.203 -2.273 18010
1323 1 6 . 1 1 30 30 MET CB C 40 32.000 32.000 32.640 -0.640 18010
1324 1 6 . 1 1 30 30 MET H H 40 8.150 8.150 8.229 -0.079 18010
1325 1 6 . 1 1 31 31 LYS N N 41 118.730 118.730 119.461 -0.731 18010
1326 1 6 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.978 -0.018 18010
1327 1 6 . 1 1 31 31 LYS C C 41 177.860 177.860 179.094 -1.234 18010
1328 1 6 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.250 -0.670 18010
1329 1 6 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.225 0.215 18010
1330 1 6 . 1 1 31 31 LYS H H 41 7.620 7.620 7.584 0.036 18010
1331 1 6 . 1 1 32 32 MET N N 42 117.330 117.330 118.320 -0.990 18010
1332 1 6 . 1 1 32 32 MET HA H 42 4.260 4.260 4.096 0.164 18010
1333 1 6 . 1 1 32 32 MET C C 42 177.460 177.460 178.721 -1.261 18010
1334 1 6 . 1 1 32 32 MET CA C 42 57.230 57.230 59.572 -2.342 18010
1335 1 6 . 1 1 32 32 MET CB C 42 32.850 32.850 33.011 -0.161 18010
1336 1 6 . 1 1 32 32 MET H H 42 7.680 7.680 7.907 -0.227 18010
1337 1 6 . 1 1 33 33 ILE N N 43 118.210 118.210 116.501 1.709 18010
1338 1 6 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.818 0.232 18010
1339 1 6 . 1 1 33 33 ILE C C 43 176.780 176.780 177.927 -1.147 18010
1340 1 6 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.899 -1.069 18010
1341 1 6 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.444 1.256 18010
1342 1 6 . 1 1 33 33 ILE H H 43 7.740 7.740 7.472 0.268 18010
1343 1 6 . 1 1 34 34 ILE N N 44 119.000 119.000 120.520 -1.520 18010
1344 1 6 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.247 0.863 18010
1345 1 6 . 1 1 34 34 ILE C C 44 175.920 175.920 177.058 -1.138 18010
1346 1 6 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.592 -1.912 18010
1347 1 6 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.757 1.153 18010
1348 1 6 . 1 1 34 34 ILE H H 44 7.770 7.770 7.363 0.407 18010
1349 1 6 . 1 1 35 35 ASN N N 45 118.210 118.210 116.778 1.432 18010
1350 1 6 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.497 0.223 18010
1351 1 6 . 1 1 35 35 ASN C C 45 174.600 174.600 175.564 -0.964 18010
1352 1 6 . 1 1 35 35 ASN CA C 45 53.230 53.230 55.085 -1.855 18010
1353 1 6 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.787 0.303 18010
1354 1 6 . 1 1 35 35 ASN H H 45 7.870 7.870 7.631 0.239 18010
1355 1 6 . 1 1 36 36 ASP N N 46 123.510 123.510 121.072 2.438 18010
1356 1 6 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.623 0.307 18010
1357 1 6 . 1 1 36 36 ASP C C 46 175.630 175.630 175.962 -0.332 18010
1358 1 6 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.196 -2.226 18010
1359 1 6 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.342 1.788 18010
1360 1 6 . 1 1 36 36 ASP H H 46 7.920 7.920 7.462 0.458 18010
1361 1 6 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.181 0.269 18010
1362 1 6 . 1 1 37 37 PRO C C 47 178.100 178.100 178.457 -0.357 18010
1363 1 6 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.277 -1.187 18010
1364 1 6 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.889 0.151 18010
1365 1 6 . 1 1 38 38 ARG N N 48 118.490 118.490 116.129 2.361 18010
1366 1 6 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.055 0.035 18010
1367 1 6 . 1 1 38 38 ARG C C 48 177.700 177.700 178.470 -0.770 18010
1368 1 6 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.431 -1.621 18010
1369 1 6 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.864 0.296 18010
1370 1 6 . 1 1 38 38 ARG H H 48 8.780 8.780 8.327 0.453 18010
1371 1 6 . 1 1 39 39 TYR N N 49 118.350 118.350 121.021 -2.671 18010
1372 1 6 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.168 0.362 18010
1373 1 6 . 1 1 39 39 TYR C C 49 176.550 176.550 176.853 -0.303 18010
1374 1 6 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.656 -2.706 18010
1375 1 6 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.152 0.838 18010
1376 1 6 . 1 1 39 39 TYR H H 49 7.900 7.900 8.502 -0.602 18010
1377 1 6 . 1 1 40 40 SER N N 50 115.790 115.790 114.989 0.801 18010
1378 1 6 . 1 1 40 40 SER HA H 50 4.230 4.230 3.907 0.323 18010
1379 1 6 . 1 1 40 40 SER C C 50 175.570 175.570 176.500 -0.930 18010
1380 1 6 . 1 1 40 40 SER CA C 50 60.080 60.080 61.230 -1.150 18010
1381 1 6 . 1 1 40 40 SER CB C 50 63.230 63.230 62.702 0.528 18010
1382 1 6 . 1 1 40 40 SER H H 50 7.930 7.930 7.799 0.131 18010
1383 1 6 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.019 0.211 18010
1384 1 6 . 1 1 41 41 ALA C C 51 178.570 178.570 179.179 -0.609 18010
1385 1 6 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.688 -0.808 18010
1386 1 6 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.579 0.261 18010
1387 1 6 . 1 1 41 41 ALA H H 51 8.180 8.180 7.347 0.833 18010
1388 1 6 . 1 1 42 42 LEU N N 52 118.900 118.900 119.876 -0.976 18010
1389 1 6 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.939 0.231 18010
1390 1 6 . 1 1 42 42 LEU C C 52 178.140 178.140 178.524 -0.384 18010
1391 1 6 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.648 -1.488 18010
1392 1 6 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.913 0.157 18010
1393 1 6 . 1 1 42 42 LEU H H 52 7.790 7.790 7.876 -0.086 18010
1394 1 6 . 1 1 43 43 ALA N N 53 122.850 122.850 120.639 2.211 18010
1395 1 6 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.877 0.233 18010
1396 1 6 . 1 1 43 43 ALA C C 53 178.490 178.490 178.725 -0.235 18010
1397 1 6 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.171 -0.581 18010
1398 1 6 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.463 0.377 18010
1399 1 6 . 1 1 43 43 ALA H H 53 7.990 7.990 7.678 0.312 18010
1400 1 6 . 1 1 44 44 LYS N N 54 118.370 118.370 118.964 -0.594 18010
1401 1 6 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.084 0.146 18010
1402 1 6 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.279 -0.309 18010
1403 1 6 . 1 1 44 44 LYS CB C 54 32.600 32.600 33.085 -0.485 18010
1404 1 6 . 1 1 44 44 LYS H H 54 7.850 7.850 7.452 0.398 18010
1405 1 6 . 1 1 45 45 LEU N N 55 121.540 121.540 118.538 3.002 18010
1406 1 6 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.930 0.350 18010
1407 1 6 . 1 1 45 45 LEU C C 55 177.790 177.790 175.419 2.371 18010
1408 1 6 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.101 -0.051 18010
1409 1 6 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.986 1.234 18010
1410 1 6 . 1 1 45 45 LEU H H 55 7.920 7.920 8.038 -0.118 18010
1411 1 7 . 1 1 4 4 LYS N N 14 123.250 123.250 122.880 0.370 18010
1412 1 7 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.278 -0.098 18010
1413 1 7 . 1 1 4 4 LYS C C 14 177.770 177.770 176.891 0.879 18010
1414 1 7 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.541 1.079 18010
1415 1 7 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.066 0.514 18010
1416 1 7 . 1 1 4 4 LYS H H 14 8.480 8.480 8.631 -0.151 18010
1417 1 7 . 1 1 5 5 GLU N N 15 121.270 121.270 120.207 1.063 18010
1418 1 7 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.996 0.214 18010
1419 1 7 . 1 1 5 5 GLU C C 15 177.390 177.390 178.344 -0.954 18010
1420 1 7 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.363 -1.623 18010
1421 1 7 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.643 0.317 18010
1422 1 7 . 1 1 5 5 GLU H H 15 8.330 8.330 7.811 0.519 18010
1423 1 7 . 1 1 6 6 GLU N N 16 121.480 121.480 119.241 2.239 18010
1424 1 7 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.075 0.085 18010
1425 1 7 . 1 1 6 6 GLU C C 16 177.740 177.740 178.461 -0.721 18010
1426 1 7 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.283 -1.543 18010
1427 1 7 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.443 0.517 18010
1428 1 7 . 1 1 6 6 GLU H H 16 8.350 8.350 8.018 0.332 18010
1429 1 7 . 1 1 7 7 ALA N N 17 124.390 124.390 122.017 2.373 18010
1430 1 7 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.139 0.051 18010
1431 1 7 . 1 1 7 7 ALA C C 17 178.580 178.580 179.683 -1.103 18010
1432 1 7 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.902 -1.272 18010
1433 1 7 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.239 0.631 18010
1434 1 7 . 1 1 7 7 ALA H H 17 8.230 8.230 8.241 -0.011 18010
1435 1 7 . 1 1 8 8 LYS N N 18 119.380 119.380 118.891 0.489 18010
1436 1 7 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.997 0.013 18010
1437 1 7 . 1 1 8 8 LYS C C 18 177.960 177.960 179.306 -1.346 18010
1438 1 7 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.809 -1.749 18010
1439 1 7 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.313 0.427 18010
1440 1 7 . 1 1 8 8 LYS H H 18 8.070 8.070 7.668 0.402 18010
1441 1 7 . 1 1 9 9 GLN N N 19 120.230 120.230 118.734 1.496 18010
1442 1 7 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.104 0.126 18010
1443 1 7 . 1 1 9 9 GLN C C 19 176.550 176.550 178.563 -2.013 18010
1444 1 7 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.711 -1.521 18010
1445 1 7 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.658 0.162 18010
1446 1 7 . 1 1 9 9 GLN H H 19 8.140 8.140 7.776 0.364 18010
1447 1 7 . 1 1 10 10 ALA N N 20 123.740 123.740 123.132 0.608 18010
1448 1 7 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.142 0.058 18010
1449 1 7 . 1 1 10 10 ALA C C 20 178.730 178.730 179.114 -0.384 18010
1450 1 7 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.783 -0.963 18010
1451 1 7 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.567 0.274 18010
1452 1 7 . 1 1 10 10 ALA H H 20 8.180 8.180 7.967 0.213 18010
1453 1 7 . 1 1 11 11 PHE N N 21 118.790 118.790 119.643 -0.853 18010
1454 1 7 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.149 0.251 18010
1455 1 7 . 1 1 11 11 PHE C C 21 176.380 176.380 177.114 -0.734 18010
1456 1 7 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.425 -2.305 18010
1457 1 7 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.358 -0.038 18010
1458 1 7 . 1 1 11 11 PHE H H 21 8.180 8.180 8.057 0.123 18010
1459 1 7 . 1 1 12 12 LYS N N 22 120.470 120.470 119.504 0.966 18010
1460 1 7 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.838 0.172 18010
1461 1 7 . 1 1 12 12 LYS C C 22 177.950 177.950 178.436 -0.486 18010
1462 1 7 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.755 -1.035 18010
1463 1 7 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.215 0.555 18010
1464 1 7 . 1 1 12 12 LYS H H 22 7.980 7.980 7.878 0.102 18010
1465 1 7 . 1 1 13 13 GLU N N 23 120.060 120.060 119.996 0.064 18010
1466 1 7 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.045 0.135 18010
1467 1 7 . 1 1 13 13 GLU C C 23 178.170 178.170 178.921 -0.751 18010
1468 1 7 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.379 -2.539 18010
1469 1 7 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.540 -0.049 18010
1470 1 7 . 1 1 13 13 GLU H H 23 8.140 8.140 7.680 0.460 18010
1471 1 7 . 1 1 14 14 LEU N N 24 122.360 122.360 119.906 2.454 18010
1472 1 7 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.935 0.465 18010
1473 1 7 . 1 1 14 14 LEU C C 24 178.260 178.260 179.129 -0.869 18010
1474 1 7 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.748 -0.908 18010
1475 1 7 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.751 0.340 18010
1476 1 7 . 1 1 14 14 LEU H H 24 8.030 8.030 7.774 0.256 18010
1477 1 7 . 1 1 15 15 LEU N N 25 120.260 120.260 119.249 1.011 18010
1478 1 7 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.796 0.264 18010
1479 1 7 . 1 1 15 15 LEU C C 25 177.990 177.990 178.778 -0.788 18010
1480 1 7 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.683 -1.143 18010
1481 1 7 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.404 0.516 18010
1482 1 7 . 1 1 15 15 LEU H H 25 7.990 7.990 7.475 0.515 18010
1483 1 7 . 1 1 16 16 LYS N N 26 120.680 120.680 119.501 1.179 18010
1484 1 7 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.943 0.257 18010
1485 1 7 . 1 1 16 16 LYS C C 26 177.940 177.940 178.443 -0.503 18010
1486 1 7 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.321 -1.711 18010
1487 1 7 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.604 0.196 18010
1488 1 7 . 1 1 16 16 LYS H H 26 7.890 7.890 7.917 -0.027 18010
1489 1 7 . 1 1 17 17 GLU N N 27 120.470 120.470 117.783 2.687 18010
1490 1 7 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.173 0.007 18010
1491 1 7 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.096 -1.086 18010
1492 1 7 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.079 -1.149 18010
1493 1 7 . 1 1 17 17 GLU H H 27 8.170 8.170 7.834 0.336 18010
1494 1 7 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.036 0.214 18010
1495 1 7 . 1 1 19 19 ARG C C 29 175.920 175.920 176.490 -0.570 18010
1496 1 7 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.321 -1.381 18010
1497 1 7 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.247 -0.066 18010
1498 1 7 . 1 1 20 20 VAL N N 30 121.110 121.110 118.220 2.890 18010
1499 1 7 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.813 0.517 18010
1500 1 7 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.140 -2.480 18010
1501 1 7 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.299 2.482 18010
1502 1 7 . 1 1 20 20 VAL H H 30 7.990 7.990 8.053 -0.063 18010
1503 1 7 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.450 -0.030 18010
1504 1 7 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.318 -0.618 18010
1505 1 7 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.459 -0.069 18010
1506 1 7 . 1 1 22 22 SER N N 32 116.500 116.500 118.563 -2.063 18010
1507 1 7 . 1 1 22 22 SER HA H 32 4.310 4.310 4.141 0.169 18010
1508 1 7 . 1 1 22 22 SER C C 32 174.600 174.600 175.255 -0.655 18010
1509 1 7 . 1 1 22 22 SER CA C 32 59.370 59.370 61.056 -1.687 18010
1510 1 7 . 1 1 22 22 SER CB C 32 63.870 63.870 63.182 0.688 18010
1511 1 7 . 1 1 22 22 SER H H 32 8.530 8.530 8.674 -0.144 18010
1512 1 7 . 1 1 23 23 ASN N N 33 119.050 119.050 120.193 -1.143 18010
1513 1 7 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.619 0.101 18010
1514 1 7 . 1 1 23 23 ASN C C 33 175.220 175.220 175.908 -0.688 18010
1515 1 7 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.977 -1.026 18010
1516 1 7 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.121 0.179 18010
1517 1 7 . 1 1 23 23 ASN H H 33 8.310 8.310 8.368 -0.058 18010
1518 1 7 . 1 1 24 24 ALA N N 34 123.610 123.610 122.163 1.447 18010
1519 1 7 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.318 -0.018 18010
1520 1 7 . 1 1 24 24 ALA C C 34 178.100 178.100 176.646 1.454 18010
1521 1 7 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.870 0.150 18010
1522 1 7 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.607 -0.347 18010
1523 1 7 . 1 1 24 24 ALA H H 34 7.960 7.960 7.594 0.366 18010
1524 1 7 . 1 1 25 25 SER N N 35 116.140 116.140 111.598 4.542 18010
1525 1 7 . 1 1 25 25 SER HA H 35 4.490 4.490 4.561 -0.071 18010
1526 1 7 . 1 1 25 25 SER C C 35 175.380 175.380 174.324 1.056 18010
1527 1 7 . 1 1 25 25 SER CA C 35 58.290 58.290 56.565 1.725 18010
1528 1 7 . 1 1 25 25 SER CB C 35 64.100 64.100 65.342 -1.242 18010
1529 1 7 . 1 1 25 25 SER H H 35 8.350 8.350 7.855 0.495 18010
1530 1 7 . 1 1 26 26 TRP N N 36 123.670 123.670 124.407 -0.737 18010
1531 1 7 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.449 -0.139 18010
1532 1 7 . 1 1 26 26 TRP C C 36 177.060 177.060 177.279 -0.219 18010
1533 1 7 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.464 -1.274 18010
1534 1 7 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.564 -0.844 18010
1535 1 7 . 1 1 26 26 TRP H H 36 8.570 8.570 9.046 -0.476 18010
1536 1 7 . 1 1 27 27 GLU N N 37 119.050 119.050 117.756 1.294 18010
1537 1 7 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.829 -0.089 18010
1538 1 7 . 1 1 27 27 GLU C C 37 178.570 178.570 178.705 -0.135 18010
1539 1 7 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.834 -0.374 18010
1540 1 7 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.300 0.000 18010
1541 1 7 . 1 1 27 27 GLU H H 37 8.320 8.320 8.664 -0.344 18010
1542 1 7 . 1 1 28 28 GLN N N 38 118.900 118.900 119.076 -0.176 18010
1543 1 7 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.012 -0.032 18010
1544 1 7 . 1 1 28 28 GLN C C 38 177.940 177.940 178.431 -0.491 18010
1545 1 7 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.427 -1.797 18010
1546 1 7 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.702 1.718 18010
1547 1 7 . 1 1 28 28 GLN H H 38 7.790 7.790 7.560 0.230 18010
1548 1 7 . 1 1 29 29 ALA N N 39 122.810 122.810 122.467 0.343 18010
1549 1 7 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.983 -0.003 18010
1550 1 7 . 1 1 29 29 ALA C C 39 179.110 179.110 179.022 0.088 18010
1551 1 7 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.660 -0.100 18010
1552 1 7 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.299 0.281 18010
1553 1 7 . 1 1 29 29 ALA H H 39 8.170 8.170 8.444 -0.274 18010
1554 1 7 . 1 1 30 30 MET N N 40 116.270 116.270 117.397 -1.127 18010
1555 1 7 . 1 1 30 30 MET HA H 40 4.070 4.070 3.753 0.317 18010
1556 1 7 . 1 1 30 30 MET C C 40 177.710 177.710 178.016 -0.306 18010
1557 1 7 . 1 1 30 30 MET CA C 40 56.930 56.930 58.618 -1.688 18010
1558 1 7 . 1 1 30 30 MET CB C 40 32.000 32.000 32.290 -0.290 18010
1559 1 7 . 1 1 30 30 MET H H 40 8.150 8.150 7.889 0.261 18010
1560 1 7 . 1 1 31 31 LYS N N 41 118.730 118.730 118.519 0.211 18010
1561 1 7 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.896 0.064 18010
1562 1 7 . 1 1 31 31 LYS C C 41 177.860 177.860 178.930 -1.070 18010
1563 1 7 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.217 -0.637 18010
1564 1 7 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.139 0.301 18010
1565 1 7 . 1 1 31 31 LYS H H 41 7.620 7.620 7.482 0.138 18010
1566 1 7 . 1 1 32 32 MET N N 42 117.330 117.330 118.436 -1.106 18010
1567 1 7 . 1 1 32 32 MET HA H 42 4.260 4.260 4.044 0.216 18010
1568 1 7 . 1 1 32 32 MET C C 42 177.460 177.460 178.527 -1.067 18010
1569 1 7 . 1 1 32 32 MET CA C 42 57.230 57.230 59.340 -2.110 18010
1570 1 7 . 1 1 32 32 MET CB C 42 32.850 32.850 32.697 0.153 18010
1571 1 7 . 1 1 32 32 MET H H 42 7.680 7.680 7.557 0.123 18010
1572 1 7 . 1 1 33 33 ILE N N 43 118.210 118.210 115.646 2.564 18010
1573 1 7 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.695 0.355 18010
1574 1 7 . 1 1 33 33 ILE C C 43 176.780 176.780 176.615 0.165 18010
1575 1 7 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.854 -1.024 18010
1576 1 7 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.275 1.425 18010
1577 1 7 . 1 1 33 33 ILE H H 43 7.740 7.740 7.265 0.475 18010
1578 1 7 . 1 1 34 34 ILE N N 44 119.000 119.000 118.638 0.362 18010
1579 1 7 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.319 0.791 18010
1580 1 7 . 1 1 34 34 ILE C C 44 175.920 175.920 177.196 -1.276 18010
1581 1 7 . 1 1 34 34 ILE CA C 44 62.680 62.680 63.952 -1.272 18010
1582 1 7 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.974 0.936 18010
1583 1 7 . 1 1 34 34 ILE H H 44 7.770 7.770 7.095 0.675 18010
1584 1 7 . 1 1 35 35 ASN N N 45 118.210 118.210 116.336 1.874 18010
1585 1 7 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.522 0.198 18010
1586 1 7 . 1 1 35 35 ASN C C 45 174.600 174.600 175.683 -1.083 18010
1587 1 7 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.571 -1.341 18010
1588 1 7 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.514 0.576 18010
1589 1 7 . 1 1 35 35 ASN H H 45 7.870 7.870 7.592 0.278 18010
1590 1 7 . 1 1 36 36 ASP N N 46 123.510 123.510 121.275 2.235 18010
1591 1 7 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.623 0.307 18010
1592 1 7 . 1 1 36 36 ASP C C 46 175.630 175.630 176.055 -0.425 18010
1593 1 7 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.033 -2.063 18010
1594 1 7 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.513 1.617 18010
1595 1 7 . 1 1 36 36 ASP H H 46 7.920 7.920 7.409 0.511 18010
1596 1 7 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.185 0.265 18010
1597 1 7 . 1 1 37 37 PRO C C 47 178.100 178.100 178.668 -0.568 18010
1598 1 7 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.221 -1.131 18010
1599 1 7 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.876 0.164 18010
1600 1 7 . 1 1 38 38 ARG N N 48 118.490 118.490 117.677 0.813 18010
1601 1 7 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.119 -0.029 18010
1602 1 7 . 1 1 38 38 ARG C C 48 177.700 177.700 178.802 -1.102 18010
1603 1 7 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.079 -1.269 18010
1604 1 7 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.832 0.328 18010
1605 1 7 . 1 1 38 38 ARG H H 48 8.780 8.780 8.364 0.416 18010
1606 1 7 . 1 1 39 39 TYR N N 49 118.350 118.350 120.794 -2.444 18010
1607 1 7 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.254 0.276 18010
1608 1 7 . 1 1 39 39 TYR C C 49 176.550 176.550 176.737 -0.187 18010
1609 1 7 . 1 1 39 39 TYR CA C 49 58.950 58.950 60.112 -1.162 18010
1610 1 7 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.107 0.883 18010
1611 1 7 . 1 1 39 39 TYR H H 49 7.900 7.900 8.391 -0.491 18010
1612 1 7 . 1 1 40 40 SER N N 50 115.790 115.790 115.839 -0.049 18010
1613 1 7 . 1 1 40 40 SER HA H 50 4.230 4.230 3.967 0.263 18010
1614 1 7 . 1 1 40 40 SER C C 50 175.570 175.570 176.009 -0.439 18010
1615 1 7 . 1 1 40 40 SER CA C 50 60.080 60.080 61.987 -1.907 18010
1616 1 7 . 1 1 40 40 SER CB C 50 63.230 63.230 62.883 0.347 18010
1617 1 7 . 1 1 40 40 SER H H 50 7.930 7.930 7.938 -0.008 18010
1618 1 7 . 1 1 41 41 ALA HA H 51 4.230 4.230 3.977 0.253 18010
1619 1 7 . 1 1 41 41 ALA C C 51 178.570 178.570 179.254 -0.684 18010
1620 1 7 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.876 -0.996 18010
1621 1 7 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.347 0.493 18010
1622 1 7 . 1 1 41 41 ALA H H 51 8.180 8.180 7.542 0.638 18010
1623 1 7 . 1 1 42 42 LEU N N 52 118.900 118.900 119.005 -0.105 18010
1624 1 7 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.844 0.326 18010
1625 1 7 . 1 1 42 42 LEU C C 52 178.140 178.140 178.847 -0.707 18010
1626 1 7 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.248 -1.088 18010
1627 1 7 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.478 0.592 18010
1628 1 7 . 1 1 42 42 LEU H H 52 7.790 7.790 7.479 0.311 18010
1629 1 7 . 1 1 43 43 ALA N N 53 122.850 122.850 120.652 2.198 18010
1630 1 7 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.906 0.204 18010
1631 1 7 . 1 1 43 43 ALA C C 53 178.490 178.490 178.967 -0.477 18010
1632 1 7 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.139 -0.549 18010
1633 1 7 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.661 0.179 18010
1634 1 7 . 1 1 43 43 ALA H H 53 7.990 7.990 7.479 0.511 18010
1635 1 7 . 1 1 44 44 LYS N N 54 118.370 118.370 117.918 0.452 18010
1636 1 7 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.069 0.161 18010
1637 1 7 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.816 -0.846 18010
1638 1 7 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.827 -0.227 18010
1639 1 7 . 1 1 44 44 LYS H H 54 7.850 7.850 7.483 0.367 18010
1640 1 7 . 1 1 45 45 LEU N N 55 121.540 121.540 117.155 4.385 18010
1641 1 7 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.829 0.451 18010
1642 1 7 . 1 1 45 45 LEU C C 55 177.790 177.790 174.881 2.909 18010
1643 1 7 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.792 0.258 18010
1644 1 7 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.802 1.418 18010
1645 1 7 . 1 1 45 45 LEU H H 55 7.920 7.920 8.055 -0.135 18010
1646 1 8 . 1 1 4 4 LYS N N 14 123.250 123.250 121.780 1.470 18010
1647 1 8 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.029 0.151 18010
1648 1 8 . 1 1 4 4 LYS C C 14 177.770 177.770 176.868 0.902 18010
1649 1 8 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.755 0.865 18010
1650 1 8 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.069 1.511 18010
1651 1 8 . 1 1 4 4 LYS H H 14 8.480 8.480 8.691 -0.211 18010
1652 1 8 . 1 1 5 5 GLU N N 15 121.270 121.270 118.803 2.467 18010
1653 1 8 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.975 0.235 18010
1654 1 8 . 1 1 5 5 GLU C C 15 177.390 177.390 177.858 -0.468 18010
1655 1 8 . 1 1 5 5 GLU CA C 15 57.740 57.740 58.795 -1.055 18010
1656 1 8 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.766 0.194 18010
1657 1 8 . 1 1 5 5 GLU H H 15 8.330 8.330 8.398 -0.068 18010
1658 1 8 . 1 1 6 6 GLU N N 16 121.480 121.480 121.878 -0.398 18010
1659 1 8 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.100 0.060 18010
1660 1 8 . 1 1 6 6 GLU C C 16 177.740 177.740 178.610 -0.870 18010
1661 1 8 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.032 -1.292 18010
1662 1 8 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.239 0.720 18010
1663 1 8 . 1 1 6 6 GLU H H 16 8.350 8.350 8.719 -0.368 18010
1664 1 8 . 1 1 7 7 ALA N N 17 124.390 124.390 122.363 2.027 18010
1665 1 8 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.161 0.029 18010
1666 1 8 . 1 1 7 7 ALA C C 17 178.580 178.580 179.573 -0.993 18010
1667 1 8 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.869 -1.239 18010
1668 1 8 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.218 0.652 18010
1669 1 8 . 1 1 7 7 ALA H H 17 8.230 8.230 8.193 0.037 18010
1670 1 8 . 1 1 8 8 LYS N N 18 119.380 119.380 118.850 0.530 18010
1671 1 8 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.979 0.031 18010
1672 1 8 . 1 1 8 8 LYS C C 18 177.960 177.960 179.308 -1.348 18010
1673 1 8 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.772 -1.712 18010
1674 1 8 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.291 0.450 18010
1675 1 8 . 1 1 8 8 LYS H H 18 8.070 8.070 7.597 0.473 18010
1676 1 8 . 1 1 9 9 GLN N N 19 120.230 120.230 118.420 1.810 18010
1677 1 8 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.077 0.153 18010
1678 1 8 . 1 1 9 9 GLN C C 19 176.550 176.550 178.356 -1.806 18010
1679 1 8 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.928 -1.738 18010
1680 1 8 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.636 0.184 18010
1681 1 8 . 1 1 9 9 GLN H H 19 8.140 8.140 7.702 0.438 18010
1682 1 8 . 1 1 10 10 ALA N N 20 123.740 123.740 122.766 0.974 18010
1683 1 8 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.110 0.090 18010
1684 1 8 . 1 1 10 10 ALA C C 20 178.730 178.730 179.350 -0.620 18010
1685 1 8 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.969 -1.149 18010
1686 1 8 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.197 0.643 18010
1687 1 8 . 1 1 10 10 ALA H H 20 8.180 8.180 7.832 0.348 18010
1688 1 8 . 1 1 11 11 PHE N N 21 118.790 118.790 119.197 -0.407 18010
1689 1 8 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.137 0.263 18010
1690 1 8 . 1 1 11 11 PHE C C 21 176.380 176.380 177.257 -0.877 18010
1691 1 8 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.654 -2.534 18010
1692 1 8 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.262 0.058 18010
1693 1 8 . 1 1 11 11 PHE H H 21 8.180 8.180 7.992 0.188 18010
1694 1 8 . 1 1 12 12 LYS N N 22 120.470 120.470 118.555 1.915 18010
1695 1 8 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.870 0.140 18010
1696 1 8 . 1 1 12 12 LYS C C 22 177.950 177.950 179.124 -1.174 18010
1697 1 8 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.954 -1.234 18010
1698 1 8 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.215 0.555 18010
1699 1 8 . 1 1 12 12 LYS H H 22 7.980 7.980 7.655 0.325 18010
1700 1 8 . 1 1 13 13 GLU N N 23 120.060 120.060 119.531 0.529 18010
1701 1 8 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.075 0.105 18010
1702 1 8 . 1 1 13 13 GLU C C 23 178.170 178.170 179.079 -0.909 18010
1703 1 8 . 1 1 13 13 GLU CA C 23 56.840 56.840 58.855 -2.015 18010
1704 1 8 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.355 0.135 18010
1705 1 8 . 1 1 13 13 GLU H H 23 8.140 8.140 7.731 0.409 18010
1706 1 8 . 1 1 14 14 LEU N N 24 122.360 122.360 120.710 1.650 18010
1707 1 8 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.003 0.397 18010
1708 1 8 . 1 1 14 14 LEU C C 24 178.260 178.260 179.245 -0.985 18010
1709 1 8 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.836 -0.996 18010
1710 1 8 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.741 0.349 18010
1711 1 8 . 1 1 14 14 LEU H H 24 8.030 8.030 8.362 -0.332 18010
1712 1 8 . 1 1 15 15 LEU N N 25 120.260 120.260 117.804 2.456 18010
1713 1 8 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.768 0.292 18010
1714 1 8 . 1 1 15 15 LEU C C 25 177.990 177.990 178.120 -0.130 18010
1715 1 8 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.491 -0.951 18010
1716 1 8 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.491 0.429 18010
1717 1 8 . 1 1 15 15 LEU H H 25 7.990 7.990 7.582 0.408 18010
1718 1 8 . 1 1 16 16 LYS N N 26 120.680 120.680 116.218 4.462 18010
1719 1 8 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.966 0.234 18010
1720 1 8 . 1 1 16 16 LYS C C 26 177.940 177.940 178.669 -0.729 18010
1721 1 8 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.837 -1.227 18010
1722 1 8 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.640 0.160 18010
1723 1 8 . 1 1 16 16 LYS H H 26 7.890 7.890 7.448 0.442 18010
1724 1 8 . 1 1 17 17 GLU N N 27 120.470 120.470 117.535 2.935 18010
1725 1 8 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.136 0.044 18010
1726 1 8 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.041 -1.031 18010
1727 1 8 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.148 -1.218 18010
1728 1 8 . 1 1 17 17 GLU H H 27 8.170 8.170 7.851 0.320 18010
1729 1 8 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.199 0.051 18010
1730 1 8 . 1 1 19 19 ARG C C 29 175.920 175.920 175.824 0.096 18010
1731 1 8 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.381 -0.441 18010
1732 1 8 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.867 -0.687 18010
1733 1 8 . 1 1 20 20 VAL N N 30 121.110 121.110 123.223 -2.113 18010
1734 1 8 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.327 0.003 18010
1735 1 8 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.801 -0.141 18010
1736 1 8 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.914 -0.134 18010
1737 1 8 . 1 1 20 20 VAL H H 30 7.990 7.990 8.249 -0.259 18010
1738 1 8 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.408 0.012 18010
1739 1 8 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.038 -0.338 18010
1740 1 8 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.361 0.029 18010
1741 1 8 . 1 1 22 22 SER N N 32 116.500 116.500 117.789 -1.289 18010
1742 1 8 . 1 1 22 22 SER HA H 32 4.310 4.310 4.026 0.284 18010
1743 1 8 . 1 1 22 22 SER C C 32 174.600 174.600 175.226 -0.626 18010
1744 1 8 . 1 1 22 22 SER CA C 32 59.370 59.370 61.024 -1.654 18010
1745 1 8 . 1 1 22 22 SER CB C 32 63.870 63.870 63.196 0.674 18010
1746 1 8 . 1 1 22 22 SER H H 32 8.530 8.530 8.577 -0.047 18010
1747 1 8 . 1 1 23 23 ASN N N 33 119.050 119.050 119.996 -0.946 18010
1748 1 8 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.604 0.116 18010
1749 1 8 . 1 1 23 23 ASN C C 33 175.220 175.220 175.400 -0.180 18010
1750 1 8 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.675 -0.725 18010
1751 1 8 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.138 0.162 18010
1752 1 8 . 1 1 23 23 ASN H H 33 8.310 8.310 8.258 0.052 18010
1753 1 8 . 1 1 24 24 ALA N N 34 123.610 123.610 121.806 1.804 18010
1754 1 8 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.445 -0.145 18010
1755 1 8 . 1 1 24 24 ALA C C 34 178.100 178.100 176.566 1.534 18010
1756 1 8 . 1 1 24 24 ALA CA C 34 53.020 53.020 51.962 1.058 18010
1757 1 8 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.007 -0.747 18010
1758 1 8 . 1 1 24 24 ALA H H 34 7.960 7.960 7.473 0.487 18010
1759 1 8 . 1 1 25 25 SER N N 35 116.140 116.140 118.192 -2.052 18010
1760 1 8 . 1 1 25 25 SER HA H 35 4.490 4.490 4.562 -0.072 18010
1761 1 8 . 1 1 25 25 SER C C 35 175.380 175.380 175.394 -0.014 18010
1762 1 8 . 1 1 25 25 SER CA C 35 58.290 58.290 56.772 1.518 18010
1763 1 8 . 1 1 25 25 SER CB C 35 64.100 64.100 64.770 -0.670 18010
1764 1 8 . 1 1 25 25 SER H H 35 8.350 8.350 7.996 0.354 18010
1765 1 8 . 1 1 26 26 TRP N N 36 123.670 123.670 121.510 2.160 18010
1766 1 8 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.445 -0.135 18010
1767 1 8 . 1 1 26 26 TRP C C 36 177.060 177.060 178.773 -1.713 18010
1768 1 8 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.087 -1.897 18010
1769 1 8 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.658 -0.938 18010
1770 1 8 . 1 1 26 26 TRP H H 36 8.570 8.570 8.674 -0.104 18010
1771 1 8 . 1 1 27 27 GLU N N 37 119.050 119.050 118.762 0.288 18010
1772 1 8 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.039 -0.299 18010
1773 1 8 . 1 1 27 27 GLU C C 37 178.570 178.570 179.237 -0.667 18010
1774 1 8 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.654 -0.194 18010
1775 1 8 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.339 -0.039 18010
1776 1 8 . 1 1 27 27 GLU H H 37 8.320 8.320 8.070 0.250 18010
1777 1 8 . 1 1 28 28 GLN N N 38 118.900 118.900 118.954 -0.054 18010
1778 1 8 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.095 -0.115 18010
1779 1 8 . 1 1 28 28 GLN C C 38 177.940 177.940 178.462 -0.522 18010
1780 1 8 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.453 -1.823 18010
1781 1 8 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010
1782 1 8 . 1 1 28 28 GLN H H 38 7.790 7.790 7.744 0.046 18010
1783 1 8 . 1 1 29 29 ALA N N 39 122.810 122.810 123.040 -0.230 18010
1784 1 8 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.945 0.035 18010
1785 1 8 . 1 1 29 29 ALA C C 39 179.110 179.110 179.408 -0.298 18010
1786 1 8 . 1 1 29 29 ALA CA C 39 54.560 54.560 55.178 -0.618 18010
1787 1 8 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.315 0.265 18010
1788 1 8 . 1 1 29 29 ALA H H 39 8.170 8.170 8.369 -0.199 18010
1789 1 8 . 1 1 30 30 MET N N 40 116.270 116.270 117.296 -1.026 18010
1790 1 8 . 1 1 30 30 MET HA H 40 4.070 4.070 4.102 -0.032 18010
1791 1 8 . 1 1 30 30 MET C C 40 177.710 177.710 178.418 -0.708 18010
1792 1 8 . 1 1 30 30 MET CA C 40 56.930 56.930 59.153 -2.223 18010
1793 1 8 . 1 1 30 30 MET CB C 40 32.000 32.000 32.671 -0.671 18010
1794 1 8 . 1 1 30 30 MET H H 40 8.150 8.150 8.181 -0.031 18010
1795 1 8 . 1 1 31 31 LYS N N 41 118.730 118.730 120.398 -1.668 18010
1796 1 8 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.985 -0.025 18010
1797 1 8 . 1 1 31 31 LYS C C 41 177.860 177.860 179.113 -1.253 18010
1798 1 8 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.344 -0.764 18010
1799 1 8 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.392 0.048 18010
1800 1 8 . 1 1 31 31 LYS H H 41 7.620 7.620 7.607 0.013 18010
1801 1 8 . 1 1 32 32 MET N N 42 117.330 117.330 117.761 -0.431 18010
1802 1 8 . 1 1 32 32 MET HA H 42 4.260 4.260 4.152 0.108 18010
1803 1 8 . 1 1 32 32 MET C C 42 177.460 177.460 178.765 -1.305 18010
1804 1 8 . 1 1 32 32 MET CA C 42 57.230 57.230 58.105 -0.875 18010
1805 1 8 . 1 1 32 32 MET CB C 42 32.850 32.850 32.209 0.641 18010
1806 1 8 . 1 1 32 32 MET H H 42 7.680 7.680 7.958 -0.278 18010
1807 1 8 . 1 1 33 33 ILE N N 43 118.210 118.210 115.296 2.914 18010
1808 1 8 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.798 0.252 18010
1809 1 8 . 1 1 33 33 ILE C C 43 176.780 176.780 177.887 -1.107 18010
1810 1 8 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.877 -1.047 18010
1811 1 8 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.317 1.383 18010
1812 1 8 . 1 1 33 33 ILE H H 43 7.740 7.740 7.434 0.306 18010
1813 1 8 . 1 1 34 34 ILE N N 44 119.000 119.000 119.917 -0.917 18010
1814 1 8 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.258 0.852 18010
1815 1 8 . 1 1 34 34 ILE C C 44 175.920 175.920 177.241 -1.321 18010
1816 1 8 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.538 -1.858 18010
1817 1 8 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.831 1.079 18010
1818 1 8 . 1 1 34 34 ILE H H 44 7.770 7.770 7.421 0.349 18010
1819 1 8 . 1 1 35 35 ASN N N 45 118.210 118.210 116.912 1.298 18010
1820 1 8 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.479 0.241 18010
1821 1 8 . 1 1 35 35 ASN C C 45 174.600 174.600 175.523 -0.923 18010
1822 1 8 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.639 -1.409 18010
1823 1 8 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.730 0.360 18010
1824 1 8 . 1 1 35 35 ASN H H 45 7.870 7.870 7.648 0.222 18010
1825 1 8 . 1 1 36 36 ASP N N 46 123.510 123.510 121.594 1.916 18010
1826 1 8 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.645 0.285 18010
1827 1 8 . 1 1 36 36 ASP C C 46 175.630 175.630 176.180 -0.550 18010
1828 1 8 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.112 -1.142 18010
1829 1 8 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.294 1.837 18010
1830 1 8 . 1 1 36 36 ASP H H 46 7.920 7.920 7.522 0.398 18010
1831 1 8 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.181 0.269 18010
1832 1 8 . 1 1 37 37 PRO C C 47 178.100 178.100 178.422 -0.322 18010
1833 1 8 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.340 -1.250 18010
1834 1 8 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.895 0.145 18010
1835 1 8 . 1 1 38 38 ARG N N 48 118.490 118.490 117.320 1.170 18010
1836 1 8 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.058 0.032 18010
1837 1 8 . 1 1 38 38 ARG C C 48 177.700 177.700 178.624 -0.924 18010
1838 1 8 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.089 -1.279 18010
1839 1 8 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.022 0.138 18010
1840 1 8 . 1 1 38 38 ARG H H 48 8.780 8.780 7.923 0.857 18010
1841 1 8 . 1 1 39 39 TYR N N 49 118.350 118.350 120.770 -2.420 18010
1842 1 8 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.188 0.342 18010
1843 1 8 . 1 1 39 39 TYR C C 49 176.550 176.550 177.424 -0.874 18010
1844 1 8 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.648 -2.698 18010
1845 1 8 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.192 0.798 18010
1846 1 8 . 1 1 39 39 TYR H H 49 7.900 7.900 8.628 -0.728 18010
1847 1 8 . 1 1 40 40 SER N N 50 115.790 115.790 114.886 0.904 18010
1848 1 8 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010
1849 1 8 . 1 1 40 40 SER C C 50 175.570 175.570 176.452 -0.882 18010
1850 1 8 . 1 1 40 40 SER CA C 50 60.080 60.080 61.466 -1.386 18010
1851 1 8 . 1 1 40 40 SER CB C 50 63.230 63.230 62.620 0.610 18010
1852 1 8 . 1 1 40 40 SER H H 50 7.930 7.930 7.834 0.096 18010
1853 1 8 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.087 0.143 18010
1854 1 8 . 1 1 41 41 ALA C C 51 178.570 178.570 179.361 -0.791 18010
1855 1 8 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.737 -0.857 18010
1856 1 8 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.167 0.673 18010
1857 1 8 . 1 1 41 41 ALA H H 51 8.180 8.180 7.441 0.739 18010
1858 1 8 . 1 1 42 42 LEU N N 52 118.900 118.900 119.337 -0.437 18010
1859 1 8 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.941 0.229 18010
1860 1 8 . 1 1 42 42 LEU C C 52 178.140 178.140 177.507 0.633 18010
1861 1 8 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.553 -1.393 18010
1862 1 8 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.760 0.311 18010
1863 1 8 . 1 1 42 42 LEU H H 52 7.790 7.790 7.722 0.068 18010
1864 1 8 . 1 1 43 43 ALA N N 53 122.850 122.850 119.654 3.196 18010
1865 1 8 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.912 0.198 18010
1866 1 8 . 1 1 43 43 ALA C C 53 178.490 178.490 178.569 -0.079 18010
1867 1 8 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.248 -0.658 18010
1868 1 8 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.794 0.046 18010
1869 1 8 . 1 1 43 43 ALA H H 53 7.990 7.990 7.498 0.492 18010
1870 1 8 . 1 1 44 44 LYS N N 54 118.370 118.370 116.813 1.557 18010
1871 1 8 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.089 0.141 18010
1872 1 8 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.076 -0.106 18010
1873 1 8 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.913 -0.313 18010
1874 1 8 . 1 1 44 44 LYS H H 54 7.850 7.850 7.357 0.493 18010
1875 1 8 . 1 1 45 45 LEU N N 55 121.540 121.540 120.155 1.385 18010
1876 1 8 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.986 0.294 18010
1877 1 8 . 1 1 45 45 LEU C C 55 177.790 177.790 175.217 2.573 18010
1878 1 8 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.869 0.181 18010
1879 1 8 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.738 0.482 18010
1880 1 8 . 1 1 45 45 LEU H H 55 7.920 7.920 7.700 0.220 18010
1881 1 9 . 1 1 4 4 LYS N N 14 123.250 123.250 122.379 0.871 18010
1882 1 9 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.471 -0.291 18010
1883 1 9 . 1 1 4 4 LYS C C 14 177.770 177.770 177.276 0.494 18010
1884 1 9 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.623 0.997 18010
1885 1 9 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.288 0.292 18010
1886 1 9 . 1 1 4 4 LYS H H 14 8.480 8.480 8.538 -0.058 18010
1887 1 9 . 1 1 5 5 GLU N N 15 121.270 121.270 121.176 0.094 18010
1888 1 9 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.024 0.186 18010
1889 1 9 . 1 1 5 5 GLU C C 15 177.390 177.390 177.963 -0.573 18010
1890 1 9 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.417 -1.677 18010
1891 1 9 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.334 0.625 18010
1892 1 9 . 1 1 5 5 GLU H H 15 8.330 8.330 8.688 -0.358 18010
1893 1 9 . 1 1 6 6 GLU N N 16 121.480 121.480 119.968 1.512 18010
1894 1 9 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.043 0.117 18010
1895 1 9 . 1 1 6 6 GLU C C 16 177.740 177.740 177.994 -0.254 18010
1896 1 9 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.245 -1.505 18010
1897 1 9 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.493 0.467 18010
1898 1 9 . 1 1 6 6 GLU H H 16 8.350 8.350 8.266 0.084 18010
1899 1 9 . 1 1 7 7 ALA N N 17 124.390 124.390 121.346 3.044 18010
1900 1 9 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.116 0.074 18010
1901 1 9 . 1 1 7 7 ALA C C 17 178.580 178.580 179.866 -1.286 18010
1902 1 9 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.931 -1.301 18010
1903 1 9 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.363 0.507 18010
1904 1 9 . 1 1 7 7 ALA H H 17 8.230 8.230 8.324 -0.094 18010
1905 1 9 . 1 1 8 8 LYS N N 18 119.380 119.380 118.599 0.781 18010
1906 1 9 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.168 -0.158 18010
1907 1 9 . 1 1 8 8 LYS C C 18 177.960 177.960 179.488 -1.528 18010
1908 1 9 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.642 -1.581 18010
1909 1 9 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.380 0.360 18010
1910 1 9 . 1 1 8 8 LYS H H 18 8.070 8.070 7.654 0.416 18010
1911 1 9 . 1 1 9 9 GLN N N 19 120.230 120.230 118.215 2.015 18010
1912 1 9 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.118 0.112 18010
1913 1 9 . 1 1 9 9 GLN C C 19 176.550 176.550 178.137 -1.587 18010
1914 1 9 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.585 -1.395 18010
1915 1 9 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.534 0.286 18010
1916 1 9 . 1 1 9 9 GLN H H 19 8.140 8.140 8.029 0.111 18010
1917 1 9 . 1 1 10 10 ALA N N 20 123.740 123.740 122.269 1.471 18010
1918 1 9 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.057 0.143 18010
1919 1 9 . 1 1 10 10 ALA C C 20 178.730 178.730 179.551 -0.821 18010
1920 1 9 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.839 -1.019 18010
1921 1 9 . 1 1 10 10 ALA CB C 20 18.840 18.840 17.799 1.041 18010
1922 1 9 . 1 1 10 10 ALA H H 20 8.180 8.180 7.548 0.632 18010
1923 1 9 . 1 1 11 11 PHE N N 21 118.790 118.790 117.255 1.535 18010
1924 1 9 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.159 0.241 18010
1925 1 9 . 1 1 11 11 PHE C C 21 176.380 176.380 177.856 -1.476 18010
1926 1 9 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.976 -2.856 18010
1927 1 9 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.732 0.588 18010
1928 1 9 . 1 1 11 11 PHE H H 21 8.180 8.180 7.724 0.456 18010
1929 1 9 . 1 1 12 12 LYS N N 22 120.470 120.470 119.455 1.015 18010
1930 1 9 . 1 1 12 12 LYS HA H 22 4.010 4.010 4.020 -0.010 18010
1931 1 9 . 1 1 12 12 LYS C C 22 177.950 177.950 179.167 -1.217 18010
1932 1 9 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.009 -1.289 18010
1933 1 9 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.127 0.643 18010
1934 1 9 . 1 1 12 12 LYS H H 22 7.980 7.980 7.501 0.479 18010
1935 1 9 . 1 1 13 13 GLU N N 23 120.060 120.060 119.258 0.802 18010
1936 1 9 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.088 0.092 18010
1937 1 9 . 1 1 13 13 GLU C C 23 178.170 178.170 179.001 -0.831 18010
1938 1 9 . 1 1 13 13 GLU CA C 23 56.840 56.840 58.922 -2.082 18010
1939 1 9 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.363 0.127 18010
1940 1 9 . 1 1 13 13 GLU H H 23 8.140 8.140 8.217 -0.077 18010
1941 1 9 . 1 1 14 14 LEU N N 24 122.360 122.360 120.492 1.868 18010
1942 1 9 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.925 0.475 18010
1943 1 9 . 1 1 14 14 LEU C C 24 178.260 178.260 179.115 -0.855 18010
1944 1 9 . 1 1 14 14 LEU CA C 24 56.840 56.840 58.056 -1.216 18010
1945 1 9 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.684 0.405 18010
1946 1 9 . 1 1 14 14 LEU H H 24 8.030 8.030 7.903 0.127 18010
1947 1 9 . 1 1 15 15 LEU N N 25 120.260 120.260 118.292 1.968 18010
1948 1 9 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.971 0.089 18010
1949 1 9 . 1 1 15 15 LEU C C 25 177.990 177.990 178.327 -0.337 18010
1950 1 9 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.759 -1.219 18010
1951 1 9 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.759 0.161 18010
1952 1 9 . 1 1 15 15 LEU H H 25 7.990 7.990 7.990 -0.000 18010
1953 1 9 . 1 1 16 16 LYS N N 26 120.680 120.680 116.256 4.424 18010
1954 1 9 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.050 0.150 18010
1955 1 9 . 1 1 16 16 LYS C C 26 177.940 177.940 178.610 -0.670 18010
1956 1 9 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.908 -1.298 18010
1957 1 9 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.682 0.118 18010
1958 1 9 . 1 1 16 16 LYS H H 26 7.890 7.890 7.767 0.123 18010
1959 1 9 . 1 1 17 17 GLU N N 27 120.470 120.470 118.074 2.396 18010
1960 1 9 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.216 -0.036 18010
1961 1 9 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.055 -1.045 18010
1962 1 9 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.178 -1.248 18010
1963 1 9 . 1 1 17 17 GLU H H 27 8.170 8.170 7.975 0.195 18010
1964 1 9 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.250 0.000 18010
1965 1 9 . 1 1 19 19 ARG C C 29 175.920 175.920 175.360 0.560 18010
1966 1 9 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.289 -0.349 18010
1967 1 9 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.879 -0.699 18010
1968 1 9 . 1 1 20 20 VAL N N 30 121.110 121.110 123.174 -2.064 18010
1969 1 9 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.442 -0.112 18010
1970 1 9 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.461 0.199 18010
1971 1 9 . 1 1 20 20 VAL CB C 30 32.780 32.780 31.892 0.888 18010
1972 1 9 . 1 1 20 20 VAL H H 30 7.990 7.990 8.331 -0.341 18010
1973 1 9 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.536 -0.116 18010
1974 1 9 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.083 -0.383 18010
1975 1 9 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.381 0.009 18010
1976 1 9 . 1 1 22 22 SER N N 32 116.500 116.500 118.410 -1.910 18010
1977 1 9 . 1 1 22 22 SER HA H 32 4.310 4.310 3.987 0.323 18010
1978 1 9 . 1 1 22 22 SER C C 32 174.600 174.600 175.273 -0.673 18010
1979 1 9 . 1 1 22 22 SER CA C 32 59.370 59.370 60.911 -1.542 18010
1980 1 9 . 1 1 22 22 SER CB C 32 63.870 63.870 63.218 0.652 18010
1981 1 9 . 1 1 22 22 SER H H 32 8.530 8.530 8.558 -0.028 18010
1982 1 9 . 1 1 23 23 ASN N N 33 119.050 119.050 119.818 -0.768 18010
1983 1 9 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.586 0.134 18010
1984 1 9 . 1 1 23 23 ASN C C 33 175.220 175.220 175.936 -0.716 18010
1985 1 9 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.213 -1.263 18010
1986 1 9 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.947 0.353 18010
1987 1 9 . 1 1 23 23 ASN H H 33 8.310 8.310 8.229 0.081 18010
1988 1 9 . 1 1 24 24 ALA N N 34 123.610 123.610 121.491 2.119 18010
1989 1 9 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.156 0.144 18010
1990 1 9 . 1 1 24 24 ALA C C 34 178.100 178.100 176.346 1.754 18010
1991 1 9 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.829 0.191 18010
1992 1 9 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.625 -0.365 18010
1993 1 9 . 1 1 24 24 ALA H H 34 7.960 7.960 7.326 0.634 18010
1994 1 9 . 1 1 25 25 SER N N 35 116.140 116.140 111.478 4.662 18010
1995 1 9 . 1 1 25 25 SER HA H 35 4.490 4.490 4.190 0.300 18010
1996 1 9 . 1 1 25 25 SER C C 35 175.380 175.380 174.312 1.068 18010
1997 1 9 . 1 1 25 25 SER CA C 35 58.290 58.290 56.985 1.305 18010
1998 1 9 . 1 1 25 25 SER CB C 35 64.100 64.100 64.967 -0.867 18010
1999 1 9 . 1 1 25 25 SER H H 35 8.350 8.350 7.845 0.505 18010
2000 1 9 . 1 1 26 26 TRP N N 36 123.670 123.670 123.827 -0.157 18010
2001 1 9 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.481 -0.171 18010
2002 1 9 . 1 1 26 26 TRP C C 36 177.060 177.060 178.419 -1.359 18010
2003 1 9 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.214 -1.024 18010
2004 1 9 . 1 1 26 26 TRP CB C 36 28.720 28.720 28.980 -0.260 18010
2005 1 9 . 1 1 26 26 TRP H H 36 8.570 8.570 8.742 -0.172 18010
2006 1 9 . 1 1 27 27 GLU N N 37 119.050 119.050 118.356 0.694 18010
2007 1 9 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.040 -0.300 18010
2008 1 9 . 1 1 27 27 GLU C C 37 178.570 178.570 178.959 -0.389 18010
2009 1 9 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.882 -0.422 18010
2010 1 9 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.101 0.199 18010
2011 1 9 . 1 1 27 27 GLU H H 37 8.320 8.320 8.793 -0.473 18010
2012 1 9 . 1 1 28 28 GLN N N 38 118.900 118.900 118.967 -0.067 18010
2013 1 9 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.075 -0.095 18010
2014 1 9 . 1 1 28 28 GLN C C 38 177.940 177.940 178.496 -0.556 18010
2015 1 9 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.467 -1.837 18010
2016 1 9 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.696 1.724 18010
2017 1 9 . 1 1 28 28 GLN H H 38 7.790 7.790 7.567 0.223 18010
2018 1 9 . 1 1 29 29 ALA N N 39 122.810 122.810 123.056 -0.246 18010
2019 1 9 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.104 -0.124 18010
2020 1 9 . 1 1 29 29 ALA C C 39 179.110 179.110 179.566 -0.456 18010
2021 1 9 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.956 -0.396 18010
2022 1 9 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.594 -0.014 18010
2023 1 9 . 1 1 29 29 ALA H H 39 8.170 8.170 8.299 -0.129 18010
2024 1 9 . 1 1 30 30 MET N N 40 116.270 116.270 117.064 -0.794 18010
2025 1 9 . 1 1 30 30 MET HA H 40 4.070 4.070 4.115 -0.045 18010
2026 1 9 . 1 1 30 30 MET C C 40 177.710 177.710 178.708 -0.998 18010
2027 1 9 . 1 1 30 30 MET CA C 40 56.930 56.930 57.752 -0.821 18010
2028 1 9 . 1 1 30 30 MET CB C 40 32.000 32.000 31.821 0.179 18010
2029 1 9 . 1 1 30 30 MET H H 40 8.150 8.150 8.367 -0.217 18010
2030 1 9 . 1 1 31 31 LYS N N 41 118.730 118.730 119.004 -0.274 18010
2031 1 9 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.972 -0.012 18010
2032 1 9 . 1 1 31 31 LYS C C 41 177.860 177.860 179.171 -1.311 18010
2033 1 9 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.423 -0.843 18010
2034 1 9 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.166 0.274 18010
2035 1 9 . 1 1 31 31 LYS H H 41 7.620 7.620 7.633 -0.013 18010
2036 1 9 . 1 1 32 32 MET N N 42 117.330 117.330 118.477 -1.147 18010
2037 1 9 . 1 1 32 32 MET HA H 42 4.260 4.260 4.095 0.165 18010
2038 1 9 . 1 1 32 32 MET C C 42 177.460 177.460 178.620 -1.160 18010
2039 1 9 . 1 1 32 32 MET CA C 42 57.230 57.230 59.412 -2.182 18010
2040 1 9 . 1 1 32 32 MET CB C 42 32.850 32.850 32.775 0.075 18010
2041 1 9 . 1 1 32 32 MET H H 42 7.680 7.680 7.723 -0.043 18010
2042 1 9 . 1 1 33 33 ILE N N 43 118.210 118.210 115.883 2.327 18010
2043 1 9 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.768 0.282 18010
2044 1 9 . 1 1 33 33 ILE C C 43 176.780 176.780 176.751 0.029 18010
2045 1 9 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.958 -1.128 18010
2046 1 9 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.402 1.298 18010
2047 1 9 . 1 1 33 33 ILE H H 43 7.740 7.740 7.399 0.341 18010
2048 1 9 . 1 1 34 34 ILE N N 44 119.000 119.000 118.968 0.032 18010
2049 1 9 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.252 0.858 18010
2050 1 9 . 1 1 34 34 ILE C C 44 175.920 175.920 177.370 -1.450 18010
2051 1 9 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.147 -1.467 18010
2052 1 9 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.960 0.950 18010
2053 1 9 . 1 1 34 34 ILE H H 44 7.770 7.770 7.238 0.532 18010
2054 1 9 . 1 1 35 35 ASN N N 45 118.210 118.210 116.023 2.187 18010
2055 1 9 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.540 0.180 18010
2056 1 9 . 1 1 35 35 ASN C C 45 174.600 174.600 175.514 -0.914 18010
2057 1 9 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.649 -1.419 18010
2058 1 9 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.561 0.529 18010
2059 1 9 . 1 1 35 35 ASN H H 45 7.870 7.870 7.618 0.252 18010
2060 1 9 . 1 1 36 36 ASP N N 46 123.510 123.510 121.477 2.033 18010
2061 1 9 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.633 0.297 18010
2062 1 9 . 1 1 36 36 ASP C C 46 175.630 175.630 176.349 -0.719 18010
2063 1 9 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.011 -1.041 18010
2064 1 9 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.487 1.643 18010
2065 1 9 . 1 1 36 36 ASP H H 46 7.920 7.920 7.400 0.520 18010
2066 1 9 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.177 0.273 18010
2067 1 9 . 1 1 37 37 PRO C C 47 178.100 178.100 178.547 -0.447 18010
2068 1 9 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.156 -1.066 18010
2069 1 9 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.974 0.066 18010
2070 1 9 . 1 1 38 38 ARG N N 48 118.490 118.490 117.355 1.135 18010
2071 1 9 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.034 0.056 18010
2072 1 9 . 1 1 38 38 ARG C C 48 177.700 177.700 178.518 -0.818 18010
2073 1 9 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.352 -1.542 18010
2074 1 9 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.066 0.094 18010
2075 1 9 . 1 1 38 38 ARG H H 48 8.780 8.780 8.659 0.121 18010
2076 1 9 . 1 1 39 39 TYR N N 49 118.350 118.350 121.013 -2.663 18010
2077 1 9 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.148 0.382 18010
2078 1 9 . 1 1 39 39 TYR C C 49 176.550 176.550 177.174 -0.624 18010
2079 1 9 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.746 -2.796 18010
2080 1 9 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.085 0.905 18010
2081 1 9 . 1 1 39 39 TYR H H 49 7.900 7.900 8.399 -0.499 18010
2082 1 9 . 1 1 40 40 SER N N 50 115.790 115.790 115.129 0.661 18010
2083 1 9 . 1 1 40 40 SER HA H 50 4.230 4.230 3.906 0.324 18010
2084 1 9 . 1 1 40 40 SER C C 50 175.570 175.570 176.414 -0.844 18010
2085 1 9 . 1 1 40 40 SER CA C 50 60.080 60.080 61.545 -1.465 18010
2086 1 9 . 1 1 40 40 SER CB C 50 63.230 63.230 62.755 0.475 18010
2087 1 9 . 1 1 40 40 SER H H 50 7.930 7.930 7.930 0.000 18010
2088 1 9 . 1 1 41 41 ALA HA H 51 4.230 4.230 3.984 0.246 18010
2089 1 9 . 1 1 41 41 ALA C C 51 178.570 178.570 178.977 -0.407 18010
2090 1 9 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.835 -0.955 18010
2091 1 9 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.448 0.392 18010
2092 1 9 . 1 1 41 41 ALA H H 51 8.180 8.180 7.453 0.727 18010
2093 1 9 . 1 1 42 42 LEU N N 52 118.900 118.900 119.232 -0.332 18010
2094 1 9 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.870 0.300 18010
2095 1 9 . 1 1 42 42 LEU C C 52 178.140 178.140 177.535 0.605 18010
2096 1 9 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.507 -1.347 18010
2097 1 9 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.741 0.329 18010
2098 1 9 . 1 1 42 42 LEU H H 52 7.790 7.790 7.724 0.066 18010
2099 1 9 . 1 1 43 43 ALA N N 53 122.850 122.850 119.791 3.059 18010
2100 1 9 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.959 0.151 18010
2101 1 9 . 1 1 43 43 ALA C C 53 178.490 178.490 179.115 -0.625 18010
2102 1 9 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.034 -0.444 18010
2103 1 9 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.713 0.127 18010
2104 1 9 . 1 1 43 43 ALA H H 53 7.990 7.990 7.505 0.485 18010
2105 1 9 . 1 1 44 44 LYS N N 54 118.370 118.370 116.881 1.489 18010
2106 1 9 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.066 0.164 18010
2107 1 9 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.379 -0.409 18010
2108 1 9 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.826 -0.226 18010
2109 1 9 . 1 1 44 44 LYS H H 54 7.850 7.850 7.461 0.389 18010
2110 1 9 . 1 1 45 45 LEU N N 55 121.540 121.540 119.625 1.915 18010
2111 1 9 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.954 0.326 18010
2112 1 9 . 1 1 45 45 LEU C C 55 177.790 177.790 176.482 1.308 18010
2113 1 9 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.020 0.030 18010
2114 1 9 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.993 0.227 18010
2115 1 9 . 1 1 45 45 LEU H H 55 7.920 7.920 7.912 0.008 18010
2116 1 10 . 1 1 4 4 LYS N N 14 123.250 123.250 123.482 -0.232 18010
2117 1 10 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.529 -0.349 18010
2118 1 10 . 1 1 4 4 LYS C C 14 177.770 177.770 176.330 1.440 18010
2119 1 10 . 1 1 4 4 LYS CA C 14 57.620 57.620 55.949 1.671 18010
2120 1 10 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.302 0.278 18010
2121 1 10 . 1 1 4 4 LYS H H 14 8.480 8.480 8.570 -0.090 18010
2122 1 10 . 1 1 5 5 GLU N N 15 121.270 121.270 123.256 -1.986 18010
2123 1 10 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.986 0.224 18010
2124 1 10 . 1 1 5 5 GLU C C 15 177.390 177.390 177.915 -0.525 18010
2125 1 10 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.688 -1.948 18010
2126 1 10 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.814 0.146 18010
2127 1 10 . 1 1 5 5 GLU H H 15 8.330 8.330 8.502 -0.172 18010
2128 1 10 . 1 1 6 6 GLU N N 16 121.480 121.480 119.967 1.513 18010
2129 1 10 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.077 0.083 18010
2130 1 10 . 1 1 6 6 GLU C C 16 177.740 177.740 178.621 -0.881 18010
2131 1 10 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.235 -1.495 18010
2132 1 10 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.326 0.634 18010
2133 1 10 . 1 1 6 6 GLU H H 16 8.350 8.350 8.734 -0.384 18010
2134 1 10 . 1 1 7 7 ALA N N 17 124.390 124.390 122.434 1.956 18010
2135 1 10 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.148 0.042 18010
2136 1 10 . 1 1 7 7 ALA C C 17 178.580 178.580 179.576 -0.996 18010
2137 1 10 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.857 -1.227 18010
2138 1 10 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.228 0.642 18010
2139 1 10 . 1 1 7 7 ALA H H 17 8.230 8.230 8.185 0.045 18010
2140 1 10 . 1 1 8 8 LYS N N 18 119.380 119.380 118.752 0.628 18010
2141 1 10 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.976 0.034 18010
2142 1 10 . 1 1 8 8 LYS C C 18 177.960 177.960 178.802 -0.842 18010
2143 1 10 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.746 -1.686 18010
2144 1 10 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.298 0.442 18010
2145 1 10 . 1 1 8 8 LYS H H 18 8.070 8.070 7.650 0.420 18010
2146 1 10 . 1 1 9 9 GLN N N 19 120.230 120.230 119.298 0.932 18010
2147 1 10 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.095 0.135 18010
2148 1 10 . 1 1 9 9 GLN C C 19 176.550 176.550 178.205 -1.655 18010
2149 1 10 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.853 -1.663 18010
2150 1 10 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.699 0.121 18010
2151 1 10 . 1 1 9 9 GLN H H 19 8.140 8.140 7.783 0.357 18010
2152 1 10 . 1 1 10 10 ALA N N 20 123.740 123.740 122.518 1.222 18010
2153 1 10 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.087 0.113 18010
2154 1 10 . 1 1 10 10 ALA C C 20 178.730 178.730 179.271 -0.541 18010
2155 1 10 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.861 -1.042 18010
2156 1 10 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.323 0.517 18010
2157 1 10 . 1 1 10 10 ALA H H 20 8.180 8.180 7.809 0.371 18010
2158 1 10 . 1 1 11 11 PHE N N 21 118.790 118.790 119.126 -0.336 18010
2159 1 10 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.133 0.267 18010
2160 1 10 . 1 1 11 11 PHE C C 21 176.380 176.380 177.263 -0.883 18010
2161 1 10 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.427 -2.307 18010
2162 1 10 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.263 0.057 18010
2163 1 10 . 1 1 11 11 PHE H H 21 8.180 8.180 7.960 0.220 18010
2164 1 10 . 1 1 12 12 LYS N N 22 120.470 120.470 118.548 1.922 18010
2165 1 10 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.791 0.219 18010
2166 1 10 . 1 1 12 12 LYS C C 22 177.950 177.950 178.705 -0.755 18010
2167 1 10 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.860 -1.140 18010
2168 1 10 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.178 0.592 18010
2169 1 10 . 1 1 12 12 LYS H H 22 7.980 7.980 7.840 0.140 18010
2170 1 10 . 1 1 13 13 GLU N N 23 120.060 120.060 120.202 -0.142 18010
2171 1 10 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.046 0.134 18010
2172 1 10 . 1 1 13 13 GLU C C 23 178.170 178.170 178.839 -0.669 18010
2173 1 10 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.198 -2.358 18010
2174 1 10 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.727 -0.237 18010
2175 1 10 . 1 1 13 13 GLU H H 23 8.140 8.140 7.758 0.382 18010
2176 1 10 . 1 1 14 14 LEU N N 24 122.360 122.360 121.693 0.667 18010
2177 1 10 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.037 0.363 18010
2178 1 10 . 1 1 14 14 LEU C C 24 178.260 178.260 178.524 -0.264 18010
2179 1 10 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.688 -0.848 18010
2180 1 10 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.795 0.295 18010
2181 1 10 . 1 1 14 14 LEU H H 24 8.030 8.030 8.017 0.013 18010
2182 1 10 . 1 1 15 15 LEU N N 25 120.260 120.260 118.926 1.334 18010
2183 1 10 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.751 0.309 18010
2184 1 10 . 1 1 15 15 LEU C C 25 177.990 177.990 178.769 -0.779 18010
2185 1 10 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.548 -1.008 18010
2186 1 10 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.449 0.471 18010
2187 1 10 . 1 1 15 15 LEU H H 25 7.990 7.990 7.521 0.469 18010
2188 1 10 . 1 1 16 16 LYS N N 26 120.680 120.680 117.950 2.730 18010
2189 1 10 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.950 0.250 18010
2190 1 10 . 1 1 16 16 LYS C C 26 177.940 177.940 178.125 -0.185 18010
2191 1 10 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.122 -1.512 18010
2192 1 10 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.488 0.312 18010
2193 1 10 . 1 1 16 16 LYS H H 26 7.890 7.890 7.665 0.225 18010
2194 1 10 . 1 1 17 17 GLU N N 27 120.470 120.470 118.152 2.318 18010
2195 1 10 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.110 0.070 18010
2196 1 10 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.211 -1.201 18010
2197 1 10 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.121 -1.191 18010
2198 1 10 . 1 1 17 17 GLU H H 27 8.170 8.170 7.728 0.442 18010
2199 1 10 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.077 0.173 18010
2200 1 10 . 1 1 19 19 ARG C C 29 175.920 175.920 176.577 -0.657 18010
2201 1 10 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.415 -1.475 18010
2202 1 10 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.353 -0.173 18010
2203 1 10 . 1 1 20 20 VAL N N 30 121.110 121.110 116.807 4.303 18010
2204 1 10 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.794 0.536 18010
2205 1 10 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.797 -2.138 18010
2206 1 10 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.052 2.728 18010
2207 1 10 . 1 1 20 20 VAL H H 30 7.990 7.990 8.149 -0.159 18010
2208 1 10 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.354 0.066 18010
2209 1 10 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.491 -0.791 18010
2210 1 10 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.224 0.166 18010
2211 1 10 . 1 1 22 22 SER N N 32 116.500 116.500 117.957 -1.457 18010
2212 1 10 . 1 1 22 22 SER HA H 32 4.310 4.310 4.156 0.154 18010
2213 1 10 . 1 1 22 22 SER C C 32 174.600 174.600 174.591 0.009 18010
2214 1 10 . 1 1 22 22 SER CA C 32 59.370 59.370 58.603 0.767 18010
2215 1 10 . 1 1 22 22 SER CB C 32 63.870 63.870 64.213 -0.343 18010
2216 1 10 . 1 1 22 22 SER H H 32 8.530 8.530 7.977 0.553 18010
2217 1 10 . 1 1 23 23 ASN N N 33 119.050 119.050 116.835 2.215 18010
2218 1 10 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.392 0.328 18010
2219 1 10 . 1 1 23 23 ASN C C 33 175.220 175.220 174.032 1.188 18010
2220 1 10 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.388 -0.438 18010
2221 1 10 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.667 0.633 18010
2222 1 10 . 1 1 23 23 ASN H H 33 8.310 8.310 8.741 -0.431 18010
2223 1 10 . 1 1 24 24 ALA N N 34 123.610 123.610 122.729 0.881 18010
2224 1 10 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.334 -0.034 18010
2225 1 10 . 1 1 24 24 ALA C C 34 178.100 178.100 176.623 1.477 18010
2226 1 10 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.677 0.343 18010
2227 1 10 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.251 -0.991 18010
2228 1 10 . 1 1 24 24 ALA H H 34 7.960 7.960 8.012 -0.052 18010
2229 1 10 . 1 1 25 25 SER N N 35 116.140 116.140 112.697 3.443 18010
2230 1 10 . 1 1 25 25 SER HA H 35 4.490 4.490 4.573 -0.083 18010
2231 1 10 . 1 1 25 25 SER C C 35 175.380 175.380 173.917 1.463 18010
2232 1 10 . 1 1 25 25 SER CA C 35 58.290 58.290 57.051 1.239 18010
2233 1 10 . 1 1 25 25 SER CB C 35 64.100 64.100 63.990 0.110 18010
2234 1 10 . 1 1 25 25 SER H H 35 8.350 8.350 7.801 0.549 18010
2235 1 10 . 1 1 26 26 TRP N N 36 123.670 123.670 128.521 -4.851 18010
2236 1 10 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.368 -0.058 18010
2237 1 10 . 1 1 26 26 TRP C C 36 177.060 177.060 177.677 -0.617 18010
2238 1 10 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.264 -1.074 18010
2239 1 10 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.721 -1.001 18010
2240 1 10 . 1 1 26 26 TRP H H 36 8.570 8.570 8.979 -0.409 18010
2241 1 10 . 1 1 27 27 GLU N N 37 119.050 119.050 119.408 -0.358 18010
2242 1 10 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.970 -0.230 18010
2243 1 10 . 1 1 27 27 GLU C C 37 178.570 178.570 178.696 -0.126 18010
2244 1 10 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.483 -0.023 18010
2245 1 10 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.284 0.016 18010
2246 1 10 . 1 1 27 27 GLU H H 37 8.320 8.320 8.494 -0.174 18010
2247 1 10 . 1 1 28 28 GLN N N 38 118.900 118.900 118.802 0.098 18010
2248 1 10 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.066 -0.086 18010
2249 1 10 . 1 1 28 28 GLN C C 38 177.940 177.940 178.528 -0.588 18010
2250 1 10 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.371 -1.741 18010
2251 1 10 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.736 1.684 18010
2252 1 10 . 1 1 28 28 GLN H H 38 7.790 7.790 7.557 0.233 18010
2253 1 10 . 1 1 29 29 ALA N N 39 122.810 122.810 122.541 0.269 18010
2254 1 10 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.070 -0.090 18010
2255 1 10 . 1 1 29 29 ALA C C 39 179.110 179.110 179.558 -0.448 18010
2256 1 10 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.847 -0.287 18010
2257 1 10 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.447 0.133 18010
2258 1 10 . 1 1 29 29 ALA H H 39 8.170 8.170 8.038 0.132 18010
2259 1 10 . 1 1 30 30 MET N N 40 116.270 116.270 117.475 -1.205 18010
2260 1 10 . 1 1 30 30 MET HA H 40 4.070 4.070 4.159 -0.089 18010
2261 1 10 . 1 1 30 30 MET C C 40 177.710 177.710 178.462 -0.752 18010
2262 1 10 . 1 1 30 30 MET CA C 40 56.930 56.930 59.271 -2.341 18010
2263 1 10 . 1 1 30 30 MET CB C 40 32.000 32.000 32.665 -0.665 18010
2264 1 10 . 1 1 30 30 MET H H 40 8.150 8.150 8.466 -0.316 18010
2265 1 10 . 1 1 31 31 LYS N N 41 118.730 118.730 120.325 -1.595 18010
2266 1 10 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.969 -0.009 18010
2267 1 10 . 1 1 31 31 LYS C C 41 177.860 177.860 178.965 -1.105 18010
2268 1 10 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.321 -0.741 18010
2269 1 10 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.306 0.134 18010
2270 1 10 . 1 1 31 31 LYS H H 41 7.620 7.620 7.594 0.026 18010
2271 1 10 . 1 1 32 32 MET N N 42 117.330 117.330 117.984 -0.654 18010
2272 1 10 . 1 1 32 32 MET HA H 42 4.260 4.260 4.101 0.159 18010
2273 1 10 . 1 1 32 32 MET C C 42 177.460 177.460 179.039 -1.579 18010
2274 1 10 . 1 1 32 32 MET CA C 42 57.230 57.230 59.193 -1.963 18010
2275 1 10 . 1 1 32 32 MET CB C 42 32.850 32.850 32.864 -0.014 18010
2276 1 10 . 1 1 32 32 MET H H 42 7.680 7.680 7.802 -0.122 18010
2277 1 10 . 1 1 33 33 ILE N N 43 118.210 118.210 116.320 1.890 18010
2278 1 10 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.824 0.226 18010
2279 1 10 . 1 1 33 33 ILE C C 43 176.780 176.780 177.240 -0.460 18010
2280 1 10 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.153 -1.323 18010
2281 1 10 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.493 1.207 18010
2282 1 10 . 1 1 33 33 ILE H H 43 7.740 7.740 7.552 0.188 18010
2283 1 10 . 1 1 34 34 ILE N N 44 119.000 119.000 119.300 -0.300 18010
2284 1 10 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.072 1.038 18010
2285 1 10 . 1 1 34 34 ILE C C 44 175.920 175.920 176.970 -1.050 18010
2286 1 10 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.481 -1.802 18010
2287 1 10 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.581 1.329 18010
2288 1 10 . 1 1 34 34 ILE H H 44 7.770 7.770 7.430 0.340 18010
2289 1 10 . 1 1 35 35 ASN N N 45 118.210 118.210 116.955 1.255 18010
2290 1 10 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.430 0.290 18010
2291 1 10 . 1 1 35 35 ASN C C 45 174.600 174.600 175.411 -0.811 18010
2292 1 10 . 1 1 35 35 ASN CA C 45 53.230 53.230 55.024 -1.794 18010
2293 1 10 . 1 1 35 35 ASN CB C 45 39.090 39.090 39.176 -0.086 18010
2294 1 10 . 1 1 35 35 ASN H H 45 7.870 7.870 7.606 0.264 18010
2295 1 10 . 1 1 36 36 ASP N N 46 123.510 123.510 122.023 1.487 18010
2296 1 10 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.651 0.279 18010
2297 1 10 . 1 1 36 36 ASP C C 46 175.630 175.630 175.819 -0.189 18010
2298 1 10 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.841 -2.871 18010
2299 1 10 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.525 1.605 18010
2300 1 10 . 1 1 36 36 ASP H H 46 7.920 7.920 7.498 0.422 18010
2301 1 10 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.208 0.242 18010
2302 1 10 . 1 1 37 37 PRO C C 47 178.100 178.100 178.274 -0.174 18010
2303 1 10 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.227 -1.137 18010
2304 1 10 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.866 0.173 18010
2305 1 10 . 1 1 38 38 ARG N N 48 118.490 118.490 117.513 0.977 18010
2306 1 10 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.046 0.044 18010
2307 1 10 . 1 1 38 38 ARG C C 48 177.700 177.700 178.558 -0.858 18010
2308 1 10 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.327 -1.517 18010
2309 1 10 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.916 0.244 18010
2310 1 10 . 1 1 38 38 ARG H H 48 8.780 8.780 8.214 0.566 18010
2311 1 10 . 1 1 39 39 TYR N N 49 118.350 118.350 120.938 -2.588 18010
2312 1 10 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.170 0.360 18010
2313 1 10 . 1 1 39 39 TYR C C 49 176.550 176.550 177.225 -0.675 18010
2314 1 10 . 1 1 39 39 TYR CA C 49 58.950 58.950 62.101 -3.151 18010
2315 1 10 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.244 0.746 18010
2316 1 10 . 1 1 39 39 TYR H H 49 7.900 7.900 8.715 -0.815 18010
2317 1 10 . 1 1 40 40 SER N N 50 115.790 115.790 115.427 0.363 18010
2318 1 10 . 1 1 40 40 SER HA H 50 4.230 4.230 3.971 0.259 18010
2319 1 10 . 1 1 40 40 SER C C 50 175.570 175.570 176.405 -0.835 18010
2320 1 10 . 1 1 40 40 SER CA C 50 60.080 60.080 62.273 -2.193 18010
2321 1 10 . 1 1 40 40 SER CB C 50 63.230 63.230 62.662 0.568 18010
2322 1 10 . 1 1 40 40 SER H H 50 7.930 7.930 7.883 0.047 18010
2323 1 10 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.108 0.122 18010
2324 1 10 . 1 1 41 41 ALA C C 51 178.570 178.570 179.358 -0.788 18010
2325 1 10 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.626 -0.746 18010
2326 1 10 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.555 0.285 18010
2327 1 10 . 1 1 41 41 ALA H H 51 8.180 8.180 7.444 0.736 18010
2328 1 10 . 1 1 42 42 LEU N N 52 118.900 118.900 119.182 -0.282 18010
2329 1 10 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.896 0.274 18010
2330 1 10 . 1 1 42 42 LEU C C 52 178.140 178.140 178.983 -0.843 18010
2331 1 10 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.502 -1.342 18010
2332 1 10 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.664 0.406 18010
2333 1 10 . 1 1 42 42 LEU H H 52 7.790 7.790 8.127 -0.337 18010
2334 1 10 . 1 1 43 43 ALA N N 53 122.850 122.850 121.063 1.787 18010
2335 1 10 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.964 0.146 18010
2336 1 10 . 1 1 43 43 ALA C C 53 178.490 178.490 178.756 -0.266 18010
2337 1 10 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.371 -0.781 18010
2338 1 10 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.776 0.064 18010
2339 1 10 . 1 1 43 43 ALA H H 53 7.990 7.990 7.672 0.318 18010
2340 1 10 . 1 1 44 44 LYS N N 54 118.370 118.370 116.773 1.597 18010
2341 1 10 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.255 -0.025 18010
2342 1 10 . 1 1 44 44 LYS CA C 54 56.970 56.970 56.400 0.570 18010
2343 1 10 . 1 1 44 44 LYS CB C 54 32.600 32.600 33.035 -0.435 18010
2344 1 10 . 1 1 44 44 LYS H H 54 7.850 7.850 7.462 0.388 18010
2345 1 10 . 1 1 45 45 LEU N N 55 121.540 121.540 117.923 3.617 18010
2346 1 10 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.866 0.414 18010
2347 1 10 . 1 1 45 45 LEU C C 55 177.790 177.790 175.146 2.644 18010
2348 1 10 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.876 0.174 18010
2349 1 10 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.864 1.356 18010
2350 1 10 . 1 1 45 45 LEU H H 55 7.920 7.920 8.049 -0.129 18010
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 37 1.908 -0.936 1.686 18010
2 1 1 "Average Difference" HA 41 0.263 -0.158 0.213 18010
3 1 1 "Average Difference" C 37 0.951 0.512 0.812 18010
4 1 1 "Average Difference" CA 41 1.382 1.176 0.734 18010
5 1 1 "Average Difference" CB 41 0.696 -0.303 0.634 18010
6 1 1 "Average Difference" HN 38 0.353 -0.139 0.329 18010
7 1 2 "Average Difference" N 37 1.964 -0.871 1.785 18010
8 1 2 "Average Difference" HA 41 0.268 -0.167 0.211 18010
9 1 2 "Average Difference" C 37 0.837 0.560 0.630 18010
10 1 2 "Average Difference" CA 41 1.446 1.218 0.789 18010
11 1 2 "Average Difference" CB 41 0.792 -0.387 0.699 18010
12 1 2 "Average Difference" HN 38 0.370 -0.137 0.348 18010
13 1 3 "Average Difference" N 37 1.742 -0.930 1.494 18010
14 1 3 "Average Difference" HA 41 0.258 -0.156 0.209 18010
15 1 3 "Average Difference" C 37 0.943 0.498 0.812 18010
16 1 3 "Average Difference" CA 41 1.456 1.205 0.826 18010
17 1 3 "Average Difference" CB 41 0.803 -0.405 0.702 18010
18 1 3 "Average Difference" HN 38 0.367 -0.153 0.338 18010
19 1 4 "Average Difference" N 37 2.095 -0.818 1.955 18010
20 1 4 "Average Difference" HA 41 0.243 -0.142 0.200 18010
21 1 4 "Average Difference" C 37 0.952 0.445 0.853 18010
22 1 4 "Average Difference" CA 41 1.379 1.085 0.862 18010
23 1 4 "Average Difference" CB 41 0.827 -0.366 0.751 18010
24 1 4 "Average Difference" HN 38 0.379 -0.151 0.353 18010
25 1 5 "Average Difference" N 37 2.047 -0.857 1.885 18010
26 1 5 "Average Difference" HA 41 0.264 -0.137 0.229 18010
27 1 5 "Average Difference" C 37 0.950 0.594 0.751 18010
28 1 5 "Average Difference" CA 41 1.307 1.049 0.788 18010
29 1 5 "Average Difference" CB 41 0.719 -0.369 0.624 18010
30 1 5 "Average Difference" HN 38 0.338 -0.124 0.319 18010
31 1 6 "Average Difference" N 37 1.823 -0.802 1.660 18010
32 1 6 "Average Difference" HA 41 0.258 -0.159 0.206 18010
33 1 6 "Average Difference" C 37 0.920 0.559 0.741 18010
34 1 6 "Average Difference" CA 41 1.494 1.208 0.890 18010
35 1 6 "Average Difference" CB 41 0.814 -0.346 0.747 18010
36 1 6 "Average Difference" HN 38 0.329 -0.131 0.306 18010
37 1 7 "Average Difference" N 37 1.799 -0.887 1.587 18010
38 1 7 "Average Difference" HA 41 0.253 -0.172 0.188 18010
39 1 7 "Average Difference" C 37 0.958 0.439 0.863 18010
40 1 7 "Average Difference" CA 41 1.406 1.122 0.858 18010
41 1 7 "Average Difference" CB 41 0.784 -0.363 0.704 18010
42 1 7 "Average Difference" HN 38 0.354 -0.190 0.302 18010
43 1 8 "Average Difference" N 37 1.795 -0.741 1.657 18010
44 1 8 "Average Difference" HA 41 0.232 -0.136 0.190 18010
45 1 8 "Average Difference" C 37 1.004 0.547 0.854 18010
46 1 8 "Average Difference" CA 41 1.333 1.008 0.883 18010
47 1 8 "Average Difference" CB 41 0.722 -0.294 0.668 18010
48 1 8 "Average Difference" HN 38 0.363 -0.163 0.329 18010
49 1 9 "Average Difference" N 37 1.886 -0.965 1.644 18010
50 1 9 "Average Difference" HA 41 0.248 -0.125 0.217 18010
51 1 9 "Average Difference" C 37 0.953 0.543 0.794 18010
52 1 9 "Average Difference" CA 41 1.336 1.046 0.841 18010
53 1 9 "Average Difference" CB 41 0.657 -0.325 0.578 18010
54 1 9 "Average Difference" HN 38 0.337 -0.132 0.314 18010
55 1 10 "Average Difference" N 37 1.890 -0.633 1.806 18010
56 1 10 "Average Difference" HA 41 0.272 -0.154 0.228 18010
57 1 10 "Average Difference" C 37 0.960 0.367 0.899 18010
58 1 10 "Average Difference" CA 41 1.536 1.130 1.053 18010
59 1 10 "Average Difference" CB 41 0.796 -0.316 0.740 18010
60 1 10 "Average Difference" HN 38 0.356 -0.112 0.343 18010
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 18010
_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 4 4 LYS N N 14 123.250 123.250 121.864 1.386 18010
2 1 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.203 -0.023 18010
3 1 . 1 1 4 4 LYS C C 14 177.770 177.770 177.140 0.630 18010
4 1 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.993 0.627 18010
5 1 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.903 0.677 18010
6 1 . 1 1 4 4 LYS H H 14 8.480 8.480 8.561 -0.081 18010
7 1 . 1 1 5 5 GLU N N 15 121.270 121.270 120.555 0.715 18010
8 1 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.021 0.189 18010
9 1 . 1 1 5 5 GLU C C 15 177.390 177.390 178.291 -0.901 18010
10 1 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.310 -1.570 18010
11 1 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.498 0.462 18010
12 1 . 1 1 5 5 GLU H H 15 8.330 8.330 8.424 -0.093 18010
13 1 . 1 1 6 6 GLU N N 16 121.480 121.480 119.832 1.648 18010
14 1 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.150 0.010 18010
15 1 . 1 1 6 6 GLU C C 16 177.740 177.740 178.567 -0.827 18010
16 1 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.219 -1.479 18010
17 1 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.390 0.570 18010
18 1 . 1 1 6 6 GLU H H 16 8.350 8.350 8.254 0.096 18010
19 1 . 1 1 7 7 ALA N N 17 124.390 124.390 121.930 2.460 18010
20 1 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.135 0.055 18010
21 1 . 1 1 7 7 ALA C C 17 178.580 178.580 179.611 -1.031 18010
22 1 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.883 -1.253 18010
23 1 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.259 0.611 18010
24 1 . 1 1 7 7 ALA H H 17 8.230 8.230 8.223 0.007 18010
25 1 . 1 1 8 8 LYS N N 18 119.380 119.380 118.798 0.582 18010
26 1 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.045 -0.035 18010
27 1 . 1 1 8 8 LYS C C 18 177.960 177.960 179.185 -1.225 18010
28 1 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.663 -1.603 18010
29 1 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.335 0.405 18010
30 1 . 1 1 8 8 LYS H H 18 8.070 8.070 7.688 0.382 18010
31 1 . 1 1 9 9 GLN N N 19 120.230 120.230 118.586 1.644 18010
32 1 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.099 0.131 18010
33 1 . 1 1 9 9 GLN C C 19 176.550 176.550 178.319 -1.769 18010
34 1 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.678 -1.488 18010
35 1 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.553 0.267 18010
36 1 . 1 1 9 9 GLN H H 19 8.140 8.140 7.824 0.316 18010
37 1 . 1 1 10 10 ALA N N 20 123.740 123.740 122.741 0.999 18010
38 1 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.093 0.107 18010
39 1 . 1 1 10 10 ALA C C 20 178.730 178.730 179.254 -0.524 18010
40 1 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.917 -1.097 18010
41 1 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.272 0.568 18010
42 1 . 1 1 10 10 ALA H H 20 8.180 8.180 7.739 0.441 18010
43 1 . 1 1 11 11 PHE N N 21 118.790 118.790 118.774 0.016 18010
44 1 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.147 0.253 18010
45 1 . 1 1 11 11 PHE C C 21 176.380 176.380 177.413 -1.033 18010
46 1 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.615 -2.495 18010
47 1 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.113 0.207 18010
48 1 . 1 1 11 11 PHE H H 21 8.180 8.180 7.823 0.357 18010
49 1 . 1 1 12 12 LYS N N 22 120.470 120.470 119.074 1.396 18010
50 1 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.878 0.132 18010
51 1 . 1 1 12 12 LYS C C 22 177.950 177.950 178.857 -0.907 18010
52 1 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.907 -1.187 18010
53 1 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.224 0.546 18010
54 1 . 1 1 12 12 LYS H H 22 7.980 7.980 7.762 0.218 18010
55 1 . 1 1 13 13 GLU N N 23 120.060 120.060 119.891 0.169 18010
56 1 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.052 0.128 18010
57 1 . 1 1 13 13 GLU C C 23 178.170 178.170 178.977 -0.807 18010
58 1 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.176 -2.336 18010
59 1 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.591 -0.101 18010
60 1 . 1 1 13 13 GLU H H 23 8.140 8.140 7.998 0.142 18010
61 1 . 1 1 14 14 LEU N N 24 122.360 122.360 121.074 1.286 18010
62 1 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.011 0.389 18010
63 1 . 1 1 14 14 LEU C C 24 178.260 178.260 178.784 -0.524 18010
64 1 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.802 -0.962 18010
65 1 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.815 0.275 18010
66 1 . 1 1 14 14 LEU H H 24 8.030 8.030 8.082 -0.052 18010
67 1 . 1 1 15 15 LEU N N 25 120.260 120.260 118.429 1.831 18010
68 1 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.820 0.240 18010
69 1 . 1 1 15 15 LEU C C 25 177.990 177.990 178.497 -0.507 18010
70 1 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.563 -1.023 18010
71 1 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.561 0.359 18010
72 1 . 1 1 15 15 LEU H H 25 7.990 7.990 7.669 0.321 18010
73 1 . 1 1 16 16 LYS N N 26 120.680 120.680 117.344 3.336 18010
74 1 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.983 0.217 18010
75 1 . 1 1 16 16 LYS C C 26 177.940 177.940 178.281 -0.341 18010
76 1 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.913 -1.303 18010
77 1 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.625 0.175 18010
78 1 . 1 1 16 16 LYS H H 26 7.890 7.890 7.624 0.266 18010
79 1 . 1 1 17 17 GLU N N 27 120.470 120.470 118.010 2.460 18010
80 1 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.137 0.043 18010
81 1 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.040 -1.030 18010
82 1 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.111 -1.182 18010
83 1 . 1 1 17 17 GLU H H 27 8.170 8.170 7.803 0.367 18010
84 1 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.132 0.118 18010
85 1 . 1 1 19 19 ARG C C 29 175.920 175.920 175.944 -0.024 18010
86 1 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.970 -1.030 18010
87 1 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.530 -0.350 18010
88 1 . 1 1 20 20 VAL N N 30 121.110 121.110 119.647 1.463 18010
89 1 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.036 0.294 18010
90 1 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.005 -1.345 18010
91 1 . 1 1 20 20 VAL CB C 30 32.780 32.780 31.015 1.765 18010
92 1 . 1 1 20 20 VAL H H 30 7.990 7.990 8.213 -0.223 18010
93 1 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.443 -0.023 18010
94 1 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.171 -0.471 18010
95 1 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.392 -0.002 18010
96 1 . 1 1 22 22 SER N N 32 116.500 116.500 118.267 -1.767 18010
97 1 . 1 1 22 22 SER HA H 32 4.310 4.310 4.064 0.245 18010
98 1 . 1 1 22 22 SER C C 32 174.600 174.600 175.156 -0.556 18010
99 1 . 1 1 22 22 SER CA C 32 59.370 59.370 60.671 -1.301 18010
100 1 . 1 1 22 22 SER CB C 32 63.870 63.870 63.322 0.548 18010
101 1 . 1 1 22 22 SER H H 32 8.530 8.530 8.541 -0.011 18010
102 1 . 1 1 23 23 ASN N N 33 119.050 119.050 119.172 -0.122 18010
103 1 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.595 0.125 18010
104 1 . 1 1 23 23 ASN C C 33 175.220 175.220 175.409 -0.189 18010
105 1 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.796 -0.846 18010
106 1 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.050 0.250 18010
107 1 . 1 1 23 23 ASN H H 33 8.310 8.310 8.295 0.015 18010
108 1 . 1 1 24 24 ALA N N 34 123.610 123.610 122.358 1.252 18010
109 1 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.335 -0.035 18010
110 1 . 1 1 24 24 ALA C C 34 178.100 178.100 176.657 1.443 18010
111 1 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.505 0.515 18010
112 1 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.838 -0.578 18010
113 1 . 1 1 24 24 ALA H H 34 7.960 7.960 7.516 0.444 18010
114 1 . 1 1 25 25 SER N N 35 116.140 116.140 114.524 1.616 18010
115 1 . 1 1 25 25 SER HA H 35 4.490 4.490 4.514 -0.024 18010
116 1 . 1 1 25 25 SER C C 35 175.380 175.380 174.755 0.625 18010
117 1 . 1 1 25 25 SER CA C 35 58.290 58.290 57.139 1.151 18010
118 1 . 1 1 25 25 SER CB C 35 64.100 64.100 64.756 -0.656 18010
119 1 . 1 1 25 25 SER H H 35 8.350 8.350 8.001 0.349 18010
120 1 . 1 1 26 26 TRP N N 36 123.670 123.670 124.244 -0.574 18010
121 1 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.419 -0.109 18010
122 1 . 1 1 26 26 TRP C C 36 177.060 177.060 177.938 -0.878 18010
123 1 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.858 -1.668 18010
124 1 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.517 -0.797 18010
125 1 . 1 1 26 26 TRP H H 36 8.570 8.570 8.839 -0.269 18010
126 1 . 1 1 27 27 GLU N N 37 119.050 119.050 118.382 0.668 18010
127 1 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.946 -0.206 18010
128 1 . 1 1 27 27 GLU C C 37 178.570 178.570 178.926 -0.356 18010
129 1 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.748 -0.288 18010
130 1 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.235 0.065 18010
131 1 . 1 1 27 27 GLU H H 37 8.320 8.320 8.467 -0.147 18010
132 1 . 1 1 28 28 GLN N N 38 118.900 118.900 118.864 0.036 18010
133 1 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.067 -0.087 18010
134 1 . 1 1 28 28 GLN C C 38 177.940 177.940 178.459 -0.519 18010
135 1 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.377 -1.747 18010
136 1 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010
137 1 . 1 1 28 28 GLN H H 38 7.790 7.790 7.600 0.191 18010
138 1 . 1 1 29 29 ALA N N 39 122.810 122.810 122.777 0.033 18010
139 1 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.021 -0.040 18010
140 1 . 1 1 29 29 ALA C C 39 179.110 179.110 179.384 -0.274 18010
141 1 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.897 -0.337 18010
142 1 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.377 0.203 18010
143 1 . 1 1 29 29 ALA H H 39 8.170 8.170 8.369 -0.199 18010
144 1 . 1 1 30 30 MET N N 40 116.270 116.270 117.212 -0.942 18010
145 1 . 1 1 30 30 MET HA H 40 4.070 4.070 3.988 0.082 18010
146 1 . 1 1 30 30 MET C C 40 177.710 177.710 178.475 -0.765 18010
147 1 . 1 1 30 30 MET CA C 40 56.930 56.930 58.775 -1.845 18010
148 1 . 1 1 30 30 MET CB C 40 32.000 32.000 32.322 -0.322 18010
149 1 . 1 1 30 30 MET H H 40 8.150 8.150 8.155 -0.005 18010
150 1 . 1 1 31 31 LYS N N 41 118.730 118.730 119.231 -0.501 18010
151 1 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.936 0.024 18010
152 1 . 1 1 31 31 LYS C C 41 177.860 177.860 179.046 -1.186 18010
153 1 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.370 -0.790 18010
154 1 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.188 0.252 18010
155 1 . 1 1 31 31 LYS H H 41 7.620 7.620 7.552 0.068 18010
156 1 . 1 1 32 32 MET N N 42 117.330 117.330 118.297 -0.967 18010
157 1 . 1 1 32 32 MET HA H 42 4.260 4.260 4.091 0.169 18010
158 1 . 1 1 32 32 MET C C 42 177.460 177.460 178.716 -1.256 18010
159 1 . 1 1 32 32 MET CA C 42 57.230 57.230 59.142 -1.912 18010
160 1 . 1 1 32 32 MET CB C 42 32.850 32.850 32.654 0.196 18010
161 1 . 1 1 32 32 MET H H 42 7.680 7.680 7.794 -0.114 18010
162 1 . 1 1 33 33 ILE N N 43 118.210 118.210 115.997 2.213 18010
163 1 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.807 0.243 18010
164 1 . 1 1 33 33 ILE C C 43 176.780 176.780 177.373 -0.593 18010
165 1 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.979 -1.149 18010
166 1 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.490 1.210 18010
167 1 . 1 1 33 33 ILE H H 43 7.740 7.740 7.444 0.296 18010
168 1 . 1 1 34 34 ILE N N 44 119.000 119.000 119.389 -0.389 18010
169 1 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.149 0.961 18010
170 1 . 1 1 34 34 ILE C C 44 175.920 175.920 177.100 -1.180 18010
171 1 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.151 -1.471 18010
172 1 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.680 1.231 18010
173 1 . 1 1 34 34 ILE H H 44 7.770 7.770 7.360 0.410 18010
174 1 . 1 1 35 35 ASN N N 45 118.210 118.210 116.357 1.853 18010
175 1 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.503 0.217 18010
176 1 . 1 1 35 35 ASN C C 45 174.600 174.600 175.603 -1.003 18010
177 1 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.685 -1.455 18010
178 1 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.661 0.429 18010
179 1 . 1 1 35 35 ASN H H 45 7.870 7.870 7.658 0.212 18010
180 1 . 1 1 36 36 ASP N N 46 123.510 123.510 121.440 2.070 18010
181 1 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.640 0.290 18010
182 1 . 1 1 36 36 ASP C C 46 175.630 175.630 176.091 -0.461 18010
183 1 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.983 -2.013 18010
184 1 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.488 1.642 18010
185 1 . 1 1 36 36 ASP H H 46 7.920 7.920 7.429 0.491 18010
186 1 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.193 0.257 18010
187 1 . 1 1 37 37 PRO C C 47 178.100 178.100 178.416 -0.316 18010
188 1 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.252 -1.162 18010
189 1 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.889 0.151 18010
190 1 . 1 1 38 38 ARG N N 48 118.490 118.490 117.030 1.460 18010
191 1 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.059 0.031 18010
192 1 . 1 1 38 38 ARG C C 48 177.700 177.700 178.565 -0.865 18010
193 1 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.128 -1.318 18010
194 1 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.888 0.272 18010
195 1 . 1 1 38 38 ARG H H 48 8.780 8.780 8.242 0.538 18010
196 1 . 1 1 39 39 TYR N N 49 118.350 118.350 121.151 -2.801 18010
197 1 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.164 0.366 18010
198 1 . 1 1 39 39 TYR C C 49 176.550 176.550 177.066 -0.516 18010
199 1 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.469 -2.519 18010
200 1 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.221 0.769 18010
201 1 . 1 1 39 39 TYR H H 49 7.900 7.900 8.605 -0.705 18010
202 1 . 1 1 40 40 SER N N 50 115.790 115.790 115.244 0.546 18010
203 1 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010
204 1 . 1 1 40 40 SER C C 50 175.570 175.570 176.408 -0.838 18010
205 1 . 1 1 40 40 SER CA C 50 60.080 60.080 61.618 -1.538 18010
206 1 . 1 1 40 40 SER CB C 50 63.230 63.230 62.743 0.486 18010
207 1 . 1 1 40 40 SER H H 50 7.930 7.930 7.893 0.037 18010
208 1 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.054 0.176 18010
209 1 . 1 1 41 41 ALA C C 51 178.570 178.570 179.287 -0.717 18010
210 1 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.740 -0.860 18010
211 1 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.342 0.498 18010
212 1 . 1 1 41 41 ALA H H 51 8.180 8.180 7.449 0.731 18010
213 1 . 1 1 42 42 LEU N N 52 118.900 118.900 119.456 -0.556 18010
214 1 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.900 0.270 18010
215 1 . 1 1 42 42 LEU C C 52 178.140 178.140 178.496 -0.356 18010
216 1 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.462 -1.302 18010
217 1 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.683 0.387 18010
218 1 . 1 1 42 42 LEU H H 52 7.790 7.790 7.846 -0.056 18010
219 1 . 1 1 43 43 ALA N N 53 122.850 122.850 120.480 2.370 18010
220 1 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.927 0.183 18010
221 1 . 1 1 43 43 ALA C C 53 178.490 178.490 178.912 -0.422 18010
222 1 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.211 -0.621 18010
223 1 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.616 0.224 18010
224 1 . 1 1 43 43 ALA H H 53 7.990 7.990 7.625 0.365 18010
225 1 . 1 1 44 44 LYS N N 54 118.370 118.370 117.588 0.782 18010
226 1 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.097 0.133 18010
227 1 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.410 -0.440 18010
228 1 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.916 -0.316 18010
229 1 . 1 1 44 44 LYS H H 54 7.850 7.850 7.466 0.384 18010
230 1 . 1 1 45 45 LEU N N 55 121.540 121.540 117.986 3.554 18010
231 1 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.911 0.369 18010
232 1 . 1 1 45 45 LEU C C 55 177.790 177.790 175.559 2.231 18010
233 1 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.204 -0.154 18010
234 1 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.114 1.106 18010
235 1 . 1 1 45 45 LEU H H 55 7.920 7.920 7.967 -0.047 18010
stop_
save_