data_17968
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17968
_Entry.PDB_ID 2LJY
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 17968
_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 PHE N N 2 122.310 122.310 123.538 -1.228 17968
2 1 1 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.890 -0.270 17968
3 1 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.291 -0.961 17968
4 1 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.159 -0.729 17968
5 1 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.752 -0.382 17968
6 1 1 . 1 1 5 5 GLN N N 3 123.510 123.510 121.871 1.639 17968
7 1 1 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.487 -0.297 17968
8 1 1 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.780 2.250 17968
9 1 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.443 -0.513 17968
10 1 1 . 1 1 5 5 GLN H H 3 8.250 8.250 7.764 0.486 17968
11 1 1 . 1 1 6 6 ASP N N 4 125.010 125.010 120.099 4.911 17968
12 1 1 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.572 0.269 17968
13 1 1 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.885 -1.855 17968
14 1 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.286 0.444 17968
15 1 1 . 1 1 6 6 ASP H H 4 8.410 8.410 8.411 -0.001 17968
16 1 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.450 -0.330 17968
17 1 1 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.394 0.736 17968
18 1 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.018 0.312 17968
19 1 1 . 1 1 8 8 GLN N N 6 119.710 119.710 118.447 1.263 17968
20 1 1 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.225 -0.075 17968
21 1 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.810 0.820 17968
22 1 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.604 0.726 17968
23 1 1 . 1 1 8 8 GLN H H 6 8.430 8.430 7.535 0.895 17968
24 1 1 . 1 1 9 9 GLU N N 7 122.110 122.110 121.733 0.377 17968
25 1 1 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.396 -0.216 17968
26 1 1 . 1 1 9 9 GLU CA C 7 56.130 56.130 54.640 1.490 17968
27 1 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 31.119 -0.589 17968
28 1 1 . 1 1 9 9 GLU H H 7 7.940 7.940 9.397 -1.457 17968
29 1 1 . 1 1 10 10 ARG N N 8 123.410 123.410 117.174 6.236 17968
30 1 1 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.458 -0.048 17968
31 1 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.967 -1.837 17968
32 1 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.962 1.368 17968
33 1 1 . 1 1 10 10 ARG H H 8 7.670 7.670 8.273 -0.603 17968
34 1 1 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.537 -0.197 17968
35 1 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.695 0.835 17968
36 1 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.408 0.222 17968
37 1 1 . 1 1 12 12 ARG N N 10 123.810 123.810 120.803 3.007 17968
38 1 1 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.562 0.098 17968
39 1 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.483 0.347 17968
40 1 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.565 1.965 17968
41 1 1 . 1 1 12 12 ARG H H 10 8.700 8.700 8.818 -0.118 17968
42 1 1 . 1 1 13 13 LYS N N 11 118.310 118.310 117.584 0.726 17968
43 1 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.716 0.334 17968
44 1 1 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.930 -0.700 17968
45 1 1 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.383 1.247 17968
46 1 1 . 1 1 13 13 LYS H H 11 7.810 7.810 7.617 0.193 17968
47 1 1 . 1 1 14 14 LEU N N 12 124.810 124.810 127.323 -2.513 17968
48 1 1 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.263 -0.113 17968
49 1 1 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.793 -0.163 17968
50 1 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.923 0.607 17968
51 1 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.169 1.041 17968
52 1 1 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.168 0.002 17968
53 1 1 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.032 1.298 17968
54 1 1 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.996 -0.466 17968
55 1 1 . 1 1 16 16 GLN N N 14 117.710 117.710 117.074 0.636 17968
56 1 1 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.179 -0.019 17968
57 1 1 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.910 0.220 17968
58 1 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.356 0.274 17968
59 1 1 . 1 1 16 16 GLN H H 14 7.100 7.100 8.335 -1.235 17968
60 1 1 . 1 1 17 17 LEU N N 15 124.610 124.610 122.248 2.362 17968
61 1 1 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.148 -0.148 17968
62 1 1 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.162 0.468 17968
63 1 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.702 0.328 17968
64 1 1 . 1 1 17 17 LEU H H 15 8.020 8.020 8.300 -0.280 17968
65 1 1 . 1 1 18 18 CYS N N 16 117.210 117.210 116.415 0.795 17968
66 1 1 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.133 -0.403 17968
67 1 1 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.081 1.750 17968
68 1 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.204 0.026 17968
69 1 1 . 1 1 18 18 CYS H H 16 8.410 8.410 8.010 0.400 17968
70 1 1 . 1 1 19 19 THR N N 17 117.710 117.710 117.541 0.169 17968
71 1 1 . 1 1 19 19 THR HA H 17 3.990 3.990 4.124 -0.134 17968
72 1 1 . 1 1 19 19 THR CA C 17 66.830 66.830 67.013 -0.183 17968
73 1 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.535 0.295 17968
74 1 1 . 1 1 19 19 THR H H 17 7.670 7.670 7.748 -0.078 17968
75 1 1 . 1 1 20 20 GLU N N 18 125.410 125.410 121.230 4.180 17968
76 1 1 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.207 -0.147 17968
77 1 1 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.178 0.652 17968
78 1 1 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.527 0.103 17968
79 1 1 . 1 1 20 20 GLU H H 18 7.980 7.980 8.061 -0.081 17968
80 1 1 . 1 1 21 21 LEU N N 19 118.810 118.810 117.592 1.218 17968
81 1 1 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.525 -0.235 17968
82 1 1 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.941 -0.011 17968
83 1 1 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.571 -0.341 17968
84 1 1 . 1 1 21 21 LEU H H 19 7.990 7.990 7.616 0.374 17968
85 1 1 . 1 1 22 22 GLN N N 20 118.310 118.310 116.566 1.744 17968
86 1 1 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.120 -0.180 17968
87 1 1 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.156 -0.526 17968
88 1 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 25.851 0.279 17968
89 1 1 . 1 1 22 22 GLN H H 20 7.850 7.850 7.729 0.121 17968
90 1 1 . 1 1 23 23 THR N N 21 115.810 115.810 113.125 2.685 17968
91 1 1 . 1 1 23 23 THR HA H 21 4.920 4.920 4.695 0.225 17968
92 1 1 . 1 1 23 23 THR CA C 21 58.730 58.730 60.121 -1.391 17968
93 1 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.792 -0.462 17968
94 1 1 . 1 1 23 23 THR H H 21 8.210 8.210 8.540 -0.330 17968
95 1 1 . 1 1 24 24 THR N N 22 112.810 112.810 112.645 0.165 17968
96 1 1 . 1 1 24 24 THR HA H 22 4.860 4.860 4.772 0.088 17968
97 1 1 . 1 1 24 24 THR CA C 22 59.830 59.830 59.812 0.018 17968
98 1 1 . 1 1 24 24 THR CB C 22 74.030 74.030 71.257 2.773 17968
99 1 1 . 1 1 24 24 THR H H 22 8.620 8.620 8.014 0.606 17968
100 1 1 . 1 1 25 25 ILE N N 23 124.310 124.310 119.415 4.895 17968
101 1 1 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.840 -0.180 17968
102 1 1 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.245 -0.515 17968
103 1 1 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.797 0.433 17968
104 1 1 . 1 1 25 25 ILE H H 23 9.020 9.020 8.595 0.425 17968
105 1 1 . 1 1 26 26 HIS N N 24 119.210 119.210 114.667 4.543 17968
106 1 1 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.977 -0.597 17968
107 1 1 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.799 -1.369 17968
108 1 1 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.689 1.041 17968
109 1 1 . 1 1 26 26 HIS H H 24 6.870 6.870 8.034 -1.164 17968
110 1 1 . 1 1 27 27 ASP N N 25 116.510 116.510 119.042 -2.532 17968
111 1 1 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.708 0.042 17968
112 1 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.398 0.032 17968
113 1 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.124 1.206 17968
114 1 1 . 1 1 27 27 ASP H H 25 7.220 7.220 7.670 -0.450 17968
115 1 1 . 1 1 28 28 ILE N N 26 123.310 123.310 122.499 0.811 17968
116 1 1 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.958 -0.058 17968
117 1 1 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.339 0.791 17968
118 1 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.451 -0.521 17968
119 1 1 . 1 1 28 28 ILE H H 26 7.690 7.690 7.729 -0.039 17968
120 1 1 . 1 1 29 29 ILE N N 27 130.910 130.910 128.276 2.634 17968
121 1 1 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.189 0.171 17968
122 1 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.968 -0.138 17968
123 1 1 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.747 -0.017 17968
124 1 1 . 1 1 29 29 ILE H H 27 8.230 8.230 8.112 0.118 17968
125 1 1 . 1 1 30 30 LEU N N 28 129.310 129.310 127.852 1.458 17968
126 1 1 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.444 0.206 17968
127 1 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.757 -1.227 17968
128 1 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 43.903 4.427 17968
129 1 1 . 1 1 30 30 LEU H H 28 8.450 8.450 8.537 -0.087 17968
130 1 1 . 1 1 31 31 GLU N N 29 121.810 121.810 117.789 4.021 17968
131 1 1 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.969 -0.309 17968
132 1 1 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.190 -0.459 17968
133 1 1 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.680 0.250 17968
134 1 1 . 1 1 31 31 GLU H H 29 8.820 8.820 8.384 0.436 17968
135 1 1 . 1 1 32 32 CYS N N 30 125.510 125.510 121.778 3.732 17968
136 1 1 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.509 -1.479 17968
137 1 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.080 -0.850 17968
138 1 1 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.324 3.506 17968
139 1 1 . 1 1 32 32 CYS H H 30 8.240 8.240 8.863 -0.623 17968
140 1 1 . 1 1 33 33 VAL N N 31 132.310 132.310 126.673 5.637 17968
141 1 1 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.400 -0.320 17968
142 1 1 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.383 -0.053 17968
143 1 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.021 -0.391 17968
144 1 1 . 1 1 33 33 VAL H H 31 8.880 8.880 8.184 0.696 17968
145 1 1 . 1 1 34 34 TYR N N 32 124.210 124.210 116.395 7.815 17968
146 1 1 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.490 -0.040 17968
147 1 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.155 -0.125 17968
148 1 1 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.974 1.056 17968
149 1 1 . 1 1 34 34 TYR H H 32 8.620 8.620 7.521 1.099 17968
150 1 1 . 1 1 35 35 CYS N N 33 119.810 119.810 112.107 7.703 17968
151 1 1 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.713 0.087 17968
152 1 1 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.628 1.702 17968
153 1 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.636 4.594 17968
154 1 1 . 1 1 35 35 CYS H H 33 8.090 8.090 7.849 0.241 17968
155 1 1 . 1 1 36 36 LYS N N 34 119.810 119.810 117.277 2.533 17968
156 1 1 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.205 -0.045 17968
157 1 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.247 0.583 17968
158 1 1 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.241 -1.011 17968
159 1 1 . 1 1 36 36 LYS H H 34 7.870 7.870 8.307 -0.437 17968
160 1 1 . 1 1 37 37 GLN N N 35 120.610 120.610 118.225 2.385 17968
161 1 1 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.449 -0.079 17968
162 1 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.040 0.390 17968
163 1 1 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.993 -0.263 17968
164 1 1 . 1 1 37 37 GLN H H 35 8.250 8.250 8.037 0.213 17968
165 1 1 . 1 1 38 38 GLN N N 36 123.610 123.610 120.917 2.693 17968
166 1 1 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.268 0.092 17968
167 1 1 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.170 0.660 17968
168 1 1 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.033 0.397 17968
169 1 1 . 1 1 38 38 GLN H H 36 8.630 8.630 8.531 0.099 17968
170 1 1 . 1 1 39 39 LEU N N 37 131.410 131.410 126.098 5.312 17968
171 1 1 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.284 -0.184 17968
172 1 1 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.390 2.840 17968
173 1 1 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.435 -0.305 17968
174 1 1 . 1 1 39 39 LEU H H 37 8.830 8.830 8.613 0.217 17968
175 1 1 . 1 1 40 40 LEU N N 38 126.410 126.410 124.861 1.549 17968
176 1 1 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.190 0.100 17968
177 1 1 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.898 -0.568 17968
178 1 1 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.964 -0.034 17968
179 1 1 . 1 1 40 40 LEU H H 38 9.780 9.780 8.589 1.191 17968
180 1 1 . 1 1 41 41 ARG N N 39 126.610 126.610 125.333 1.277 17968
181 1 1 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.610 -0.160 17968
182 1 1 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.186 -1.256 17968
183 1 1 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.474 -2.444 17968
184 1 1 . 1 1 41 41 ARG H H 39 8.880 8.880 8.661 0.219 17968
185 1 1 . 1 1 42 42 ARG N N 40 116.410 116.410 118.530 -2.120 17968
186 1 1 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.941 0.059 17968
187 1 1 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.770 -0.240 17968
188 1 1 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.721 3.109 17968
189 1 1 . 1 1 42 42 ARG H H 40 8.590 8.590 8.398 0.192 17968
190 1 1 . 1 1 43 43 GLU N N 41 117.710 117.710 116.464 1.246 17968
191 1 1 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.238 0.022 17968
192 1 1 . 1 1 43 43 GLU CA C 41 58.930 58.930 57.632 1.298 17968
193 1 1 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.602 0.928 17968
194 1 1 . 1 1 43 43 GLU H H 41 6.800 6.800 7.705 -0.905 17968
195 1 1 . 1 1 44 44 VAL N N 42 124.710 124.710 121.422 3.288 17968
196 1 1 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.538 -0.358 17968
197 1 1 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.119 1.411 17968
198 1 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.384 -0.054 17968
199 1 1 . 1 1 44 44 VAL H H 42 7.760 7.760 7.803 -0.043 17968
200 1 1 . 1 1 45 45 TYR N N 43 118.310 118.310 118.123 0.187 17968
201 1 1 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.273 -0.083 17968
202 1 1 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.406 0.724 17968
203 1 1 . 1 1 45 45 TYR CB C 43 38.730 38.730 36.595 2.135 17968
204 1 1 . 1 1 45 45 TYR H H 43 7.600 7.600 7.352 0.248 17968
205 1 1 . 1 1 46 46 ASP N N 44 120.910 120.910 120.458 0.452 17968
206 1 1 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.544 0.166 17968
207 1 1 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.956 1.074 17968
208 1 1 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.404 0.426 17968
209 1 1 . 1 1 46 46 ASP H H 44 8.660 8.660 7.891 0.769 17968
210 1 1 . 1 1 47 47 PHE N N 45 125.310 125.310 119.665 5.645 17968
211 1 1 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.253 -0.323 17968
212 1 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.730 0.900 17968
213 1 1 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.221 -0.191 17968
214 1 1 . 1 1 47 47 PHE H H 45 8.250 8.250 7.945 0.305 17968
215 1 1 . 1 1 48 48 ALA N N 46 119.710 119.710 120.675 -0.965 17968
216 1 1 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.239 0.261 17968
217 1 1 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.585 0.545 17968
218 1 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.686 0.044 17968
219 1 1 . 1 1 48 48 ALA H H 46 7.790 7.790 7.452 0.338 17968
220 1 1 . 1 1 49 49 PHE N N 47 123.210 123.210 118.936 4.274 17968
221 1 1 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.323 0.227 17968
222 1 1 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.218 -0.688 17968
223 1 1 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.857 -0.827 17968
224 1 1 . 1 1 49 49 PHE H H 47 9.040 9.040 8.128 0.912 17968
225 1 1 . 1 1 50 50 ARG N N 48 119.810 119.810 117.967 1.843 17968
226 1 1 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.484 -0.434 17968
227 1 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.664 2.466 17968
228 1 1 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.511 -0.481 17968
229 1 1 . 1 1 50 50 ARG H H 48 8.100 8.100 8.006 0.094 17968
230 1 1 . 1 1 51 51 ASP N N 49 120.910 120.910 120.538 0.372 17968
231 1 1 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.623 -0.173 17968
232 1 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.222 0.308 17968
233 1 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.373 -0.443 17968
234 1 1 . 1 1 51 51 ASP H H 49 8.010 8.010 8.558 -0.548 17968
235 1 1 . 1 1 52 52 LEU N N 50 118.510 118.510 125.020 -6.510 17968
236 1 1 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.464 -0.294 17968
237 1 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.932 0.298 17968
238 1 1 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.836 -3.606 17968
239 1 1 . 1 1 52 52 LEU H H 50 6.720 6.720 7.668 -0.948 17968
240 1 1 . 1 1 53 53 CYS N N 51 117.410 117.410 118.586 -1.176 17968
241 1 1 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.769 0.141 17968
242 1 1 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.150 2.580 17968
243 1 1 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.091 -1.361 17968
244 1 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.191 -0.161 17968
245 1 1 . 1 1 54 54 ILE N N 52 125.110 125.110 122.742 2.368 17968
246 1 1 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.376 -0.386 17968
247 1 1 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.983 -2.053 17968
248 1 1 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.156 -0.425 17968
249 1 1 . 1 1 54 54 ILE H H 52 8.450 8.450 8.495 -0.045 17968
250 1 1 . 1 1 55 55 VAL N N 53 127.010 127.010 128.670 -1.660 17968
251 1 1 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.233 0.117 17968
252 1 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.823 -1.193 17968
253 1 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.490 1.740 17968
254 1 1 . 1 1 55 55 VAL H H 53 8.120 8.120 8.273 -0.153 17968
255 1 1 . 1 1 56 56 TYR N N 54 125.010 125.010 128.733 -3.723 17968
256 1 1 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.070 0.310 17968
257 1 1 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.884 -0.454 17968
258 1 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.823 2.207 17968
259 1 1 . 1 1 56 56 TYR H H 54 8.710 8.710 8.870 -0.160 17968
260 1 1 . 1 1 57 57 ARG N N 55 123.810 123.810 126.476 -2.666 17968
261 1 1 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.272 0.358 17968
262 1 1 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.538 -0.208 17968
263 1 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.113 2.717 17968
264 1 1 . 1 1 57 57 ARG H H 55 8.860 8.860 8.329 0.531 17968
265 1 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.995 3.115 17968
266 1 1 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.291 0.009 17968
267 1 1 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.266 -0.536 17968
268 1 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.200 -0.070 17968
269 1 1 . 1 1 58 58 ASP H H 56 9.630 9.630 8.851 0.779 17968
270 1 1 . 1 1 59 59 GLY N N 57 104.510 104.510 106.970 -2.460 17968
271 1 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.347 0.283 17968
272 1 1 . 1 1 59 59 GLY H H 57 8.710 8.710 8.537 0.173 17968
273 1 1 . 1 1 60 60 ASN N N 58 122.110 122.110 118.832 3.278 17968
274 1 1 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.208 0.172 17968
275 1 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.133 -0.803 17968
276 1 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.995 -1.565 17968
277 1 1 . 1 1 60 60 ASN H H 58 8.130 8.130 8.002 0.128 17968
278 1 1 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.464 0.306 17968
279 1 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.601 -0.571 17968
280 1 1 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.088 2.342 17968
281 1 1 . 1 1 62 62 TYR N N 60 119.910 119.910 123.958 -4.048 17968
282 1 1 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.671 -0.321 17968
283 1 1 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.814 1.316 17968
284 1 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.834 0.596 17968
285 1 1 . 1 1 62 62 TYR H H 60 8.580 8.580 8.380 0.200 17968
286 1 1 . 1 1 63 63 ALA N N 61 123.710 123.710 119.630 4.080 17968
287 1 1 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.695 -0.315 17968
288 1 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.245 0.085 17968
289 1 1 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.898 -1.668 17968
290 1 1 . 1 1 63 63 ALA H H 61 7.980 7.980 8.960 -0.980 17968
291 1 1 . 1 1 64 64 VAL N N 62 120.610 120.610 119.290 1.320 17968
292 1 1 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.358 1.122 17968
293 1 1 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.529 -0.199 17968
294 1 1 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.529 3.701 17968
295 1 1 . 1 1 64 64 VAL H H 62 6.330 6.330 8.585 -2.255 17968
296 1 1 . 1 1 65 65 CYS N N 63 130.310 130.310 125.125 5.185 17968
297 1 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.582 -0.022 17968
298 1 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.323 1.107 17968
299 1 1 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.868 2.162 17968
300 1 1 . 1 1 65 65 CYS H H 63 9.420 9.420 8.699 0.721 17968
301 1 1 . 1 1 66 66 ASP N N 64 121.110 121.110 120.640 0.470 17968
302 1 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.300 0.110 17968
303 1 1 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.191 1.239 17968
304 1 1 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.104 1.426 17968
305 1 1 . 1 1 66 66 ASP H H 64 9.040 9.040 8.812 0.228 17968
306 1 1 . 1 1 67 67 LYS N N 65 121.910 121.910 118.758 3.152 17968
307 1 1 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.106 -0.116 17968
308 1 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.889 1.241 17968
309 1 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.352 0.478 17968
310 1 1 . 1 1 67 67 LYS H H 65 8.330 8.330 8.000 0.330 17968
311 1 1 . 1 1 68 68 CYS N N 66 125.510 125.510 118.993 6.517 17968
312 1 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.079 0.031 17968
313 1 1 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.017 2.713 17968
314 1 1 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.889 4.741 17968
315 1 1 . 1 1 68 68 CYS H H 66 8.690 8.690 7.645 1.045 17968
316 1 1 . 1 1 69 69 LEU N N 67 125.110 125.110 121.298 3.812 17968
317 1 1 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.068 -0.038 17968
318 1 1 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.038 0.592 17968
319 1 1 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.081 0.149 17968
320 1 1 . 1 1 69 69 LEU H H 67 8.460 8.460 8.164 0.296 17968
321 1 1 . 1 1 70 70 LYS N N 68 119.210 119.210 116.999 2.211 17968
322 1 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.121 -0.141 17968
323 1 1 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.190 0.840 17968
324 1 1 . 1 1 70 70 LYS CB C 68 32.230 32.230 31.979 0.251 17968
325 1 1 . 1 1 70 70 LYS H H 68 7.830 7.830 7.594 0.236 17968
326 1 1 . 1 1 71 71 PHE N N 69 121.710 121.710 118.478 3.232 17968
327 1 1 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.253 0.017 17968
328 1 1 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.659 0.471 17968
329 1 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.240 0.190 17968
330 1 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.604 0.206 17968
331 1 2 . 1 1 4 4 PHE N N 2 122.310 122.310 123.394 -1.084 17968
332 1 2 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.664 -0.044 17968
333 1 2 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.432 -1.103 17968
334 1 2 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.259 -0.829 17968
335 1 2 . 1 1 4 4 PHE H H 2 8.370 8.370 8.488 -0.118 17968
336 1 2 . 1 1 5 5 GLN N N 3 123.510 123.510 123.618 -0.108 17968
337 1 2 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.503 -0.313 17968
338 1 2 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.506 1.524 17968
339 1 2 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.018 -0.088 17968
340 1 2 . 1 1 5 5 GLN H H 3 8.250 8.250 8.016 0.234 17968
341 1 2 . 1 1 6 6 ASP N N 4 125.010 125.010 117.690 7.320 17968
342 1 2 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.968 -0.128 17968
343 1 2 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.749 0.280 17968
344 1 2 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.422 -0.692 17968
345 1 2 . 1 1 6 6 ASP H H 4 8.410 8.410 8.236 0.174 17968
346 1 2 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.642 -0.522 17968
347 1 2 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.500 0.630 17968
348 1 2 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.367 -0.037 17968
349 1 2 . 1 1 8 8 GLN N N 6 119.710 119.710 114.363 5.347 17968
350 1 2 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.016 0.134 17968
351 1 2 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.910 -0.280 17968
352 1 2 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.897 1.433 17968
353 1 2 . 1 1 8 8 GLN H H 6 8.430 8.430 8.376 0.054 17968
354 1 2 . 1 1 9 9 GLU N N 7 122.110 122.110 117.026 5.084 17968
355 1 2 . 1 1 9 9 GLU HA H 7 4.180 4.180 3.820 0.360 17968
356 1 2 . 1 1 9 9 GLU CA C 7 56.130 56.130 58.237 -2.107 17968
357 1 2 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.047 1.483 17968
358 1 2 . 1 1 9 9 GLU H H 7 7.940 7.940 8.720 -0.780 17968
359 1 2 . 1 1 10 10 ARG N N 8 123.410 123.410 116.403 7.007 17968
360 1 2 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.142 0.268 17968
361 1 2 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.525 -1.395 17968
362 1 2 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.367 0.963 17968
363 1 2 . 1 1 10 10 ARG H H 8 7.670 7.670 8.207 -0.537 17968
364 1 2 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.415 -0.075 17968
365 1 2 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.137 0.393 17968
366 1 2 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.645 -0.015 17968
367 1 2 . 1 1 12 12 ARG N N 10 123.810 123.810 121.421 2.389 17968
368 1 2 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.563 0.097 17968
369 1 2 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.098 1.732 17968
370 1 2 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.060 2.470 17968
371 1 2 . 1 1 12 12 ARG H H 10 8.700 8.700 8.786 -0.086 17968
372 1 2 . 1 1 13 13 LYS N N 11 118.310 118.310 119.083 -0.773 17968
373 1 2 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.747 0.303 17968
374 1 2 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.702 -0.472 17968
375 1 2 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.931 1.699 17968
376 1 2 . 1 1 13 13 LYS H H 11 7.810 7.810 7.542 0.268 17968
377 1 2 . 1 1 14 14 LEU N N 12 124.810 124.810 128.161 -3.351 17968
378 1 2 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.270 -0.120 17968
379 1 2 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.623 0.007 17968
380 1 2 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.848 0.682 17968
381 1 2 . 1 1 14 14 LEU H H 12 10.210 10.210 9.274 0.936 17968
382 1 2 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.205 -0.035 17968
383 1 2 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.600 1.730 17968
384 1 2 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.985 -0.455 17968
385 1 2 . 1 1 16 16 GLN N N 14 117.710 117.710 115.950 1.760 17968
386 1 2 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.276 -0.116 17968
387 1 2 . 1 1 16 16 GLN CA C 14 59.130 59.130 56.696 2.434 17968
388 1 2 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.291 0.339 17968
389 1 2 . 1 1 16 16 GLN H H 14 7.100 7.100 7.682 -0.582 17968
390 1 2 . 1 1 17 17 LEU N N 15 124.610 124.610 122.959 1.651 17968
391 1 2 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.184 -0.183 17968
392 1 2 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.700 0.930 17968
393 1 2 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.692 0.338 17968
394 1 2 . 1 1 17 17 LEU H H 15 8.020 8.020 8.133 -0.113 17968
395 1 2 . 1 1 18 18 CYS N N 16 117.210 117.210 116.245 0.965 17968
396 1 2 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.077 -0.347 17968
397 1 2 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.476 1.354 17968
398 1 2 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.129 0.101 17968
399 1 2 . 1 1 18 18 CYS H H 16 8.410 8.410 8.159 0.251 17968
400 1 2 . 1 1 19 19 THR N N 17 117.710 117.710 114.720 2.990 17968
401 1 2 . 1 1 19 19 THR HA H 17 3.990 3.990 4.087 -0.097 17968
402 1 2 . 1 1 19 19 THR CA C 17 66.830 66.830 66.005 0.825 17968
403 1 2 . 1 1 19 19 THR CB C 17 68.830 68.830 68.431 0.399 17968
404 1 2 . 1 1 19 19 THR H H 17 7.670 7.670 7.578 0.092 17968
405 1 2 . 1 1 20 20 GLU N N 18 125.410 125.410 121.181 4.229 17968
406 1 2 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.222 -0.162 17968
407 1 2 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.702 1.128 17968
408 1 2 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.468 0.162 17968
409 1 2 . 1 1 20 20 GLU H H 18 7.980 7.980 7.549 0.431 17968
410 1 2 . 1 1 21 21 LEU N N 19 118.810 118.810 117.745 1.065 17968
411 1 2 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.262 0.028 17968
412 1 2 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.058 -0.128 17968
413 1 2 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.190 0.040 17968
414 1 2 . 1 1 21 21 LEU H H 19 7.990 7.990 7.756 0.234 17968
415 1 2 . 1 1 22 22 GLN N N 20 118.310 118.310 116.328 1.982 17968
416 1 2 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.009 -0.069 17968
417 1 2 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.955 -0.325 17968
418 1 2 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.246 -0.116 17968
419 1 2 . 1 1 22 22 GLN H H 20 7.850 7.850 7.452 0.398 17968
420 1 2 . 1 1 23 23 THR N N 21 115.810 115.810 113.273 2.537 17968
421 1 2 . 1 1 23 23 THR HA H 21 4.920 4.920 4.759 0.161 17968
422 1 2 . 1 1 23 23 THR CA C 21 58.730 58.730 60.905 -2.175 17968
423 1 2 . 1 1 23 23 THR CB C 21 70.330 70.330 70.298 0.032 17968
424 1 2 . 1 1 23 23 THR H H 21 8.210 8.210 8.452 -0.242 17968
425 1 2 . 1 1 24 24 THR N N 22 112.810 112.810 112.474 0.336 17968
426 1 2 . 1 1 24 24 THR HA H 22 4.860 4.860 4.799 0.061 17968
427 1 2 . 1 1 24 24 THR CA C 22 59.830 59.830 60.462 -0.632 17968
428 1 2 . 1 1 24 24 THR CB C 22 74.030 74.030 70.397 3.633 17968
429 1 2 . 1 1 24 24 THR H H 22 8.620 8.620 8.083 0.537 17968
430 1 2 . 1 1 25 25 ILE N N 23 124.310 124.310 117.819 6.491 17968
431 1 2 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.898 -0.238 17968
432 1 2 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.715 0.014 17968
433 1 2 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.588 0.642 17968
434 1 2 . 1 1 25 25 ILE H H 23 9.020 9.020 8.365 0.655 17968
435 1 2 . 1 1 26 26 HIS N N 24 119.210 119.210 112.984 6.226 17968
436 1 2 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.747 -0.367 17968
437 1 2 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.350 0.080 17968
438 1 2 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.579 0.151 17968
439 1 2 . 1 1 26 26 HIS H H 24 6.870 6.870 7.446 -0.576 17968
440 1 2 . 1 1 27 27 ASP N N 25 116.510 116.510 118.494 -1.984 17968
441 1 2 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.720 0.030 17968
442 1 2 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.889 0.541 17968
443 1 2 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.333 0.997 17968
444 1 2 . 1 1 27 27 ASP H H 25 7.220 7.220 7.647 -0.427 17968
445 1 2 . 1 1 28 28 ILE N N 26 123.310 123.310 120.647 2.663 17968
446 1 2 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.122 -0.222 17968
447 1 2 . 1 1 28 28 ILE CA C 26 63.130 63.130 61.883 1.247 17968
448 1 2 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.471 -0.541 17968
449 1 2 . 1 1 28 28 ILE H H 26 7.690 7.690 7.629 0.061 17968
450 1 2 . 1 1 29 29 ILE N N 27 130.910 130.910 130.403 0.507 17968
451 1 2 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.105 0.255 17968
452 1 2 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.260 -0.430 17968
453 1 2 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.562 2.168 17968
454 1 2 . 1 1 29 29 ILE H H 27 8.230 8.230 8.321 -0.091 17968
455 1 2 . 1 1 30 30 LEU N N 28 129.310 129.310 128.617 0.693 17968
456 1 2 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.497 0.153 17968
457 1 2 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.286 -0.756 17968
458 1 2 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.006 3.324 17968
459 1 2 . 1 1 30 30 LEU H H 28 8.450 8.450 7.925 0.525 17968
460 1 2 . 1 1 31 31 GLU N N 29 121.810 121.810 120.602 1.208 17968
461 1 2 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.110 -0.450 17968
462 1 2 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.361 0.369 17968
463 1 2 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.659 1.271 17968
464 1 2 . 1 1 31 31 GLU H H 29 8.820 8.820 8.345 0.475 17968
465 1 2 . 1 1 32 32 CYS N N 30 125.510 125.510 121.965 3.545 17968
466 1 2 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.105 -1.075 17968
467 1 2 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.193 -0.963 17968
468 1 2 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.123 3.707 17968
469 1 2 . 1 1 32 32 CYS H H 30 8.240 8.240 8.783 -0.543 17968
470 1 2 . 1 1 33 33 VAL N N 31 132.310 132.310 126.886 5.424 17968
471 1 2 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.303 -0.223 17968
472 1 2 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.632 -1.302 17968
473 1 2 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.961 -0.331 17968
474 1 2 . 1 1 33 33 VAL H H 31 8.880 8.880 8.687 0.193 17968
475 1 2 . 1 1 34 34 TYR N N 32 124.210 124.210 116.533 7.677 17968
476 1 2 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.447 0.003 17968
477 1 2 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.451 0.579 17968
478 1 2 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.255 0.775 17968
479 1 2 . 1 1 34 34 TYR H H 32 8.620 8.620 7.440 1.180 17968
480 1 2 . 1 1 35 35 CYS N N 33 119.810 119.810 115.741 4.069 17968
481 1 2 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.378 0.422 17968
482 1 2 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.212 0.118 17968
483 1 2 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.738 4.492 17968
484 1 2 . 1 1 35 35 CYS H H 33 8.090 8.090 7.732 0.358 17968
485 1 2 . 1 1 36 36 LYS N N 34 119.810 119.810 115.945 3.865 17968
486 1 2 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.234 -0.074 17968
487 1 2 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.187 0.643 17968
488 1 2 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.652 -1.422 17968
489 1 2 . 1 1 36 36 LYS H H 34 7.870 7.870 7.806 0.064 17968
490 1 2 . 1 1 37 37 GLN N N 35 120.610 120.610 115.359 5.251 17968
491 1 2 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.481 -0.111 17968
492 1 2 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.995 0.435 17968
493 1 2 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.897 -0.167 17968
494 1 2 . 1 1 37 37 GLN H H 35 8.250 8.250 7.850 0.400 17968
495 1 2 . 1 1 38 38 GLN N N 36 123.610 123.610 121.529 2.081 17968
496 1 2 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.375 -0.015 17968
497 1 2 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.112 0.718 17968
498 1 2 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.950 0.480 17968
499 1 2 . 1 1 38 38 GLN H H 36 8.630 8.630 8.484 0.146 17968
500 1 2 . 1 1 39 39 LEU N N 37 131.410 131.410 127.193 4.217 17968
501 1 2 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.245 -0.145 17968
502 1 2 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.186 2.044 17968
503 1 2 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.585 -0.455 17968
504 1 2 . 1 1 39 39 LEU H H 37 8.830 8.830 8.678 0.152 17968
505 1 2 . 1 1 40 40 LEU N N 38 126.410 126.410 122.101 4.309 17968
506 1 2 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.388 -0.098 17968
507 1 2 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.361 -0.030 17968
508 1 2 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.553 0.377 17968
509 1 2 . 1 1 40 40 LEU H H 38 9.780 9.780 8.288 1.492 17968
510 1 2 . 1 1 41 41 ARG N N 39 126.610 126.610 120.531 6.079 17968
511 1 2 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.710 -0.260 17968
512 1 2 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.639 -0.709 17968
513 1 2 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.657 -2.627 17968
514 1 2 . 1 1 41 41 ARG H H 39 8.880 8.880 8.656 0.224 17968
515 1 2 . 1 1 42 42 ARG N N 40 116.410 116.410 119.962 -3.552 17968
516 1 2 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.988 0.012 17968
517 1 2 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.298 -0.769 17968
518 1 2 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.847 2.983 17968
519 1 2 . 1 1 42 42 ARG H H 40 8.590 8.590 8.440 0.150 17968
520 1 2 . 1 1 43 43 GLU N N 41 117.710 117.710 118.800 -1.090 17968
521 1 2 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.188 0.072 17968
522 1 2 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.922 0.008 17968
523 1 2 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.884 1.646 17968
524 1 2 . 1 1 43 43 GLU H H 41 6.800 6.800 7.718 -0.918 17968
525 1 2 . 1 1 44 44 VAL N N 42 124.710 124.710 120.393 4.317 17968
526 1 2 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.713 -0.533 17968
527 1 2 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.105 1.425 17968
528 1 2 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.636 0.695 17968
529 1 2 . 1 1 44 44 VAL H H 42 7.760 7.760 8.022 -0.262 17968
530 1 2 . 1 1 45 45 TYR N N 43 118.310 118.310 119.432 -1.122 17968
531 1 2 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.211 -0.021 17968
532 1 2 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.301 -0.171 17968
533 1 2 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.039 1.691 17968
534 1 2 . 1 1 45 45 TYR H H 43 7.600 7.600 7.572 0.028 17968
535 1 2 . 1 1 46 46 ASP N N 44 120.910 120.910 120.145 0.765 17968
536 1 2 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.443 0.267 17968
537 1 2 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.675 0.355 17968
538 1 2 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.702 0.128 17968
539 1 2 . 1 1 46 46 ASP H H 44 8.660 8.660 7.708 0.952 17968
540 1 2 . 1 1 47 47 PHE N N 45 125.310 125.310 120.559 4.751 17968
541 1 2 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.176 -0.246 17968
542 1 2 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.346 1.284 17968
543 1 2 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.324 -0.294 17968
544 1 2 . 1 1 47 47 PHE H H 45 8.250 8.250 8.040 0.210 17968
545 1 2 . 1 1 48 48 ALA N N 46 119.710 119.710 121.531 -1.821 17968
546 1 2 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.231 0.269 17968
547 1 2 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.244 -0.114 17968
548 1 2 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.676 0.054 17968
549 1 2 . 1 1 48 48 ALA H H 46 7.790 7.790 7.862 -0.072 17968
550 1 2 . 1 1 49 49 PHE N N 47 123.210 123.210 119.352 3.858 17968
551 1 2 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.333 0.217 17968
552 1 2 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.852 -0.322 17968
553 1 2 . 1 1 49 49 PHE CB C 47 39.030 39.030 40.056 -1.026 17968
554 1 2 . 1 1 49 49 PHE H H 47 9.040 9.040 8.008 1.032 17968
555 1 2 . 1 1 50 50 ARG N N 48 119.810 119.810 119.550 0.260 17968
556 1 2 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.330 -0.280 17968
557 1 2 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.611 1.519 17968
558 1 2 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.753 0.277 17968
559 1 2 . 1 1 50 50 ARG H H 48 8.100 8.100 7.909 0.191 17968
560 1 2 . 1 1 51 51 ASP N N 49 120.910 120.910 123.304 -2.394 17968
561 1 2 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.472 -0.022 17968
562 1 2 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.516 0.014 17968
563 1 2 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.402 -0.472 17968
564 1 2 . 1 1 51 51 ASP H H 49 8.010 8.010 8.413 -0.403 17968
565 1 2 . 1 1 52 52 LEU N N 50 118.510 118.510 124.584 -6.074 17968
566 1 2 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.695 -0.525 17968
567 1 2 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.876 1.354 17968
568 1 2 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.904 -3.674 17968
569 1 2 . 1 1 52 52 LEU H H 50 6.720 6.720 7.793 -1.073 17968
570 1 2 . 1 1 53 53 CYS N N 51 117.410 117.410 117.092 0.318 17968
571 1 2 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.260 -0.350 17968
572 1 2 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.304 2.426 17968
573 1 2 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.158 -1.428 17968
574 1 2 . 1 1 53 53 CYS H H 51 8.030 8.030 8.287 -0.257 17968
575 1 2 . 1 1 54 54 ILE N N 52 125.110 125.110 125.422 -0.312 17968
576 1 2 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.324 -0.334 17968
577 1 2 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.780 -1.850 17968
578 1 2 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.704 -0.974 17968
579 1 2 . 1 1 54 54 ILE H H 52 8.450 8.450 8.522 -0.072 17968
580 1 2 . 1 1 55 55 VAL N N 53 127.010 127.010 124.425 2.585 17968
581 1 2 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.380 -0.030 17968
582 1 2 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.744 -0.114 17968
583 1 2 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.714 2.516 17968
584 1 2 . 1 1 55 55 VAL H H 53 8.120 8.120 8.111 0.009 17968
585 1 2 . 1 1 56 56 TYR N N 54 125.010 125.010 127.861 -2.851 17968
586 1 2 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.950 0.430 17968
587 1 2 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.532 -0.102 17968
588 1 2 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.573 2.457 17968
589 1 2 . 1 1 56 56 TYR H H 54 8.710 8.710 8.731 -0.021 17968
590 1 2 . 1 1 57 57 ARG N N 55 123.810 123.810 126.287 -2.477 17968
591 1 2 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.166 0.464 17968
592 1 2 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.121 -0.791 17968
593 1 2 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.403 3.427 17968
594 1 2 . 1 1 57 57 ARG H H 55 8.860 8.860 8.354 0.506 17968
595 1 2 . 1 1 58 58 ASP N N 56 129.110 129.110 125.615 3.495 17968
596 1 2 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.377 -0.076 17968
597 1 2 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.263 -0.533 17968
598 1 2 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.240 -0.111 17968
599 1 2 . 1 1 58 58 ASP H H 56 9.630 9.630 8.902 0.728 17968
600 1 2 . 1 1 59 59 GLY N N 57 104.510 104.510 104.895 -0.385 17968
601 1 2 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.398 0.232 17968
602 1 2 . 1 1 59 59 GLY H H 57 8.710 8.710 8.339 0.371 17968
603 1 2 . 1 1 60 60 ASN N N 58 122.110 122.110 120.925 1.185 17968
604 1 2 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.125 0.255 17968
605 1 2 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.959 -0.629 17968
606 1 2 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.619 0.811 17968
607 1 2 . 1 1 60 60 ASN H H 58 8.130 8.130 7.907 0.223 17968
608 1 2 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.134 0.636 17968
609 1 2 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.381 -0.351 17968
610 1 2 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.605 2.825 17968
611 1 2 . 1 1 62 62 TYR N N 60 119.910 119.910 124.544 -4.634 17968
612 1 2 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.628 -0.278 17968
613 1 2 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.049 1.081 17968
614 1 2 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.227 1.203 17968
615 1 2 . 1 1 62 62 TYR H H 60 8.580 8.580 7.976 0.604 17968
616 1 2 . 1 1 63 63 ALA N N 61 123.710 123.710 122.036 1.674 17968
617 1 2 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.455 -0.075 17968
618 1 2 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.846 -0.516 17968
619 1 2 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.163 -0.933 17968
620 1 2 . 1 1 63 63 ALA H H 61 7.980 7.980 8.902 -0.922 17968
621 1 2 . 1 1 64 64 VAL N N 62 120.610 120.610 119.286 1.324 17968
622 1 2 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.264 1.216 17968
623 1 2 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.299 0.031 17968
624 1 2 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.215 4.015 17968
625 1 2 . 1 1 64 64 VAL H H 62 6.330 6.330 8.361 -2.031 17968
626 1 2 . 1 1 65 65 CYS N N 63 130.310 130.310 124.447 5.863 17968
627 1 2 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.547 0.013 17968
628 1 2 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.529 0.901 17968
629 1 2 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.668 1.362 17968
630 1 2 . 1 1 65 65 CYS H H 63 9.420 9.420 8.467 0.953 17968
631 1 2 . 1 1 66 66 ASP N N 64 121.110 121.110 121.268 -0.158 17968
632 1 2 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.314 0.096 17968
633 1 2 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.937 0.493 17968
634 1 2 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.908 1.622 17968
635 1 2 . 1 1 66 66 ASP H H 64 9.040 9.040 9.005 0.035 17968
636 1 2 . 1 1 67 67 LYS N N 65 121.910 121.910 119.681 2.229 17968
637 1 2 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.325 -0.335 17968
638 1 2 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.510 0.620 17968
639 1 2 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.720 0.110 17968
640 1 2 . 1 1 67 67 LYS H H 65 8.330 8.330 8.151 0.179 17968
641 1 2 . 1 1 68 68 CYS N N 66 125.510 125.510 119.700 5.810 17968
642 1 2 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.226 -0.116 17968
643 1 2 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.719 2.010 17968
644 1 2 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.936 4.694 17968
645 1 2 . 1 1 68 68 CYS H H 66 8.690 8.690 7.905 0.785 17968
646 1 2 . 1 1 69 69 LEU N N 67 125.110 125.110 121.542 3.568 17968
647 1 2 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.245 -0.215 17968
648 1 2 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.788 0.842 17968
649 1 2 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.187 0.043 17968
650 1 2 . 1 1 69 69 LEU H H 67 8.460 8.460 8.625 -0.165 17968
651 1 2 . 1 1 70 70 LYS N N 68 119.210 119.210 117.886 1.324 17968
652 1 2 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.209 -0.229 17968
653 1 2 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.187 0.843 17968
654 1 2 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.824 -0.594 17968
655 1 2 . 1 1 70 70 LYS H H 68 7.830 7.830 7.826 0.004 17968
656 1 2 . 1 1 71 71 PHE N N 69 121.710 121.710 118.516 3.194 17968
657 1 2 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.317 -0.047 17968
658 1 2 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.909 -0.779 17968
659 1 2 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.615 -0.185 17968
660 1 2 . 1 1 71 71 PHE H H 69 7.810 7.810 7.845 -0.035 17968
661 1 3 . 1 1 4 4 PHE N N 2 122.310 122.310 123.054 -0.744 17968
662 1 3 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.706 -0.086 17968
663 1 3 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.152 0.178 17968
664 1 3 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.929 -1.499 17968
665 1 3 . 1 1 4 4 PHE H H 2 8.370 8.370 8.612 -0.242 17968
666 1 3 . 1 1 5 5 GLN N N 3 123.510 123.510 119.795 3.715 17968
667 1 3 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.623 -0.433 17968
668 1 3 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.159 1.871 17968
669 1 3 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.147 -1.217 17968
670 1 3 . 1 1 5 5 GLN H H 3 8.250 8.250 8.517 -0.267 17968
671 1 3 . 1 1 6 6 ASP N N 4 125.010 125.010 121.052 3.958 17968
672 1 3 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.645 0.195 17968
673 1 3 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.763 -0.733 17968
674 1 3 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.460 0.270 17968
675 1 3 . 1 1 6 6 ASP H H 4 8.410 8.410 8.573 -0.163 17968
676 1 3 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.582 -0.462 17968
677 1 3 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.821 1.309 17968
678 1 3 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.868 0.462 17968
679 1 3 . 1 1 8 8 GLN N N 6 119.710 119.710 121.108 -1.398 17968
680 1 3 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.297 -0.147 17968
681 1 3 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.035 0.595 17968
682 1 3 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.188 1.142 17968
683 1 3 . 1 1 8 8 GLN H H 6 8.430 8.430 8.038 0.392 17968
684 1 3 . 1 1 9 9 GLU N N 7 122.110 122.110 123.804 -1.694 17968
685 1 3 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.210 -0.030 17968
686 1 3 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.920 0.210 17968
687 1 3 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.623 0.907 17968
688 1 3 . 1 1 9 9 GLU H H 7 7.940 7.940 8.248 -0.308 17968
689 1 3 . 1 1 10 10 ARG N N 8 123.410 123.410 115.996 7.414 17968
690 1 3 . 1 1 10 10 ARG HA H 8 4.410 4.410 3.774 0.636 17968
691 1 3 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.719 -1.589 17968
692 1 3 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.141 1.189 17968
693 1 3 . 1 1 10 10 ARG H H 8 7.670 7.670 8.006 -0.336 17968
694 1 3 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.626 -0.286 17968
695 1 3 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.230 0.300 17968
696 1 3 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.683 -0.053 17968
697 1 3 . 1 1 12 12 ARG N N 10 123.810 123.810 114.757 9.053 17968
698 1 3 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.677 -0.017 17968
699 1 3 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.818 0.012 17968
700 1 3 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.656 -0.126 17968
701 1 3 . 1 1 12 12 ARG H H 10 8.700 8.700 8.367 0.333 17968
702 1 3 . 1 1 13 13 LYS N N 11 118.310 118.310 118.854 -0.544 17968
703 1 3 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.685 0.365 17968
704 1 3 . 1 1 13 13 LYS CA C 11 53.230 53.230 55.102 -1.872 17968
705 1 3 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.376 1.254 17968
706 1 3 . 1 1 13 13 LYS H H 11 7.810 7.810 7.739 0.071 17968
707 1 3 . 1 1 14 14 LEU N N 12 124.810 124.810 123.511 1.299 17968
708 1 3 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.255 -0.105 17968
709 1 3 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.683 -0.053 17968
710 1 3 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.901 0.628 17968
711 1 3 . 1 1 14 14 LEU H H 12 10.210 10.210 9.215 0.995 17968
712 1 3 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.177 -0.007 17968
713 1 3 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.755 1.575 17968
714 1 3 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.987 -0.457 17968
715 1 3 . 1 1 16 16 GLN N N 14 117.710 117.710 116.932 0.778 17968
716 1 3 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.126 0.034 17968
717 1 3 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.594 0.535 17968
718 1 3 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.174 0.456 17968
719 1 3 . 1 1 16 16 GLN H H 14 7.100 7.100 7.570 -0.470 17968
720 1 3 . 1 1 17 17 LEU N N 15 124.610 124.610 122.065 2.545 17968
721 1 3 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.103 -0.103 17968
722 1 3 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.056 0.574 17968
723 1 3 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.813 0.216 17968
724 1 3 . 1 1 17 17 LEU H H 15 8.020 8.020 7.746 0.274 17968
725 1 3 . 1 1 18 18 CYS N N 16 117.210 117.210 116.145 1.065 17968
726 1 3 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.109 -0.379 17968
727 1 3 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.791 1.039 17968
728 1 3 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.082 0.148 17968
729 1 3 . 1 1 18 18 CYS H H 16 8.410 8.410 8.364 0.046 17968
730 1 3 . 1 1 19 19 THR N N 17 117.710 117.710 116.604 1.106 17968
731 1 3 . 1 1 19 19 THR HA H 17 3.990 3.990 4.148 -0.158 17968
732 1 3 . 1 1 19 19 THR CA C 17 66.830 66.830 66.380 0.450 17968
733 1 3 . 1 1 19 19 THR CB C 17 68.830 68.830 68.715 0.115 17968
734 1 3 . 1 1 19 19 THR H H 17 7.670 7.670 7.731 -0.061 17968
735 1 3 . 1 1 20 20 GLU N N 18 125.410 125.410 121.885 3.525 17968
736 1 3 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.234 -0.174 17968
737 1 3 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.815 1.015 17968
738 1 3 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.126 0.504 17968
739 1 3 . 1 1 20 20 GLU H H 18 7.980 7.980 8.157 -0.177 17968
740 1 3 . 1 1 21 21 LEU N N 19 118.810 118.810 117.421 1.389 17968
741 1 3 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.292 -0.002 17968
742 1 3 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.610 0.320 17968
743 1 3 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.188 0.042 17968
744 1 3 . 1 1 21 21 LEU H H 19 7.990 7.990 7.812 0.178 17968
745 1 3 . 1 1 22 22 GLN N N 20 118.310 118.310 116.493 1.817 17968
746 1 3 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.026 -0.086 17968
747 1 3 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.965 -0.335 17968
748 1 3 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.188 -0.058 17968
749 1 3 . 1 1 22 22 GLN H H 20 7.850 7.850 7.768 0.082 17968
750 1 3 . 1 1 23 23 THR N N 21 115.810 115.810 111.256 4.554 17968
751 1 3 . 1 1 23 23 THR HA H 21 4.920 4.920 4.673 0.247 17968
752 1 3 . 1 1 23 23 THR CA C 21 58.730 58.730 59.729 -0.999 17968
753 1 3 . 1 1 23 23 THR CB C 21 70.330 70.330 70.169 0.161 17968
754 1 3 . 1 1 23 23 THR H H 21 8.210 8.210 8.304 -0.094 17968
755 1 3 . 1 1 24 24 THR N N 22 112.810 112.810 113.123 -0.313 17968
756 1 3 . 1 1 24 24 THR HA H 22 4.860 4.860 4.679 0.181 17968
757 1 3 . 1 1 24 24 THR CA C 22 59.830 59.830 60.442 -0.612 17968
758 1 3 . 1 1 24 24 THR CB C 22 74.030 74.030 70.754 3.276 17968
759 1 3 . 1 1 24 24 THR H H 22 8.620 8.620 8.094 0.526 17968
760 1 3 . 1 1 25 25 ILE N N 23 124.310 124.310 116.898 7.412 17968
761 1 3 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.949 -0.289 17968
762 1 3 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.356 0.374 17968
763 1 3 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.364 0.866 17968
764 1 3 . 1 1 25 25 ILE H H 23 9.020 9.020 8.345 0.675 17968
765 1 3 . 1 1 26 26 HIS N N 24 119.210 119.210 114.211 4.999 17968
766 1 3 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.690 -0.310 17968
767 1 3 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.152 -0.722 17968
768 1 3 . 1 1 26 26 HIS CB C 24 30.730 30.730 31.528 -0.798 17968
769 1 3 . 1 1 26 26 HIS H H 24 6.870 6.870 7.433 -0.563 17968
770 1 3 . 1 1 27 27 ASP N N 25 116.510 116.510 118.760 -2.250 17968
771 1 3 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.723 0.027 17968
772 1 3 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.492 0.938 17968
773 1 3 . 1 1 27 27 ASP CB C 25 44.330 44.330 41.598 2.732 17968
774 1 3 . 1 1 27 27 ASP H H 25 7.220 7.220 7.594 -0.374 17968
775 1 3 . 1 1 28 28 ILE N N 26 123.310 123.310 119.568 3.742 17968
776 1 3 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.169 -0.269 17968
777 1 3 . 1 1 28 28 ILE CA C 26 63.130 63.130 61.543 1.587 17968
778 1 3 . 1 1 28 28 ILE CB C 26 37.930 37.930 39.168 -1.238 17968
779 1 3 . 1 1 28 28 ILE H H 26 7.690 7.690 7.402 0.288 17968
780 1 3 . 1 1 29 29 ILE N N 27 130.910 130.910 129.177 1.733 17968
781 1 3 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.228 0.132 17968
782 1 3 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.403 -0.573 17968
783 1 3 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.782 0.948 17968
784 1 3 . 1 1 29 29 ILE H H 27 8.230 8.230 8.297 -0.067 17968
785 1 3 . 1 1 30 30 LEU N N 28 129.310 129.310 128.028 1.282 17968
786 1 3 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.686 -0.036 17968
787 1 3 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.635 -1.105 17968
788 1 3 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.291 2.039 17968
789 1 3 . 1 1 30 30 LEU H H 28 8.450 8.450 8.413 0.037 17968
790 1 3 . 1 1 31 31 GLU N N 29 121.810 121.810 119.480 2.330 17968
791 1 3 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.102 -0.442 17968
792 1 3 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.141 -0.411 17968
793 1 3 . 1 1 31 31 GLU CB C 29 32.930 32.930 34.327 -1.397 17968
794 1 3 . 1 1 31 31 GLU H H 29 8.820 8.820 8.281 0.539 17968
795 1 3 . 1 1 32 32 CYS N N 30 125.510 125.510 121.492 4.018 17968
796 1 3 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.032 -1.002 17968
797 1 3 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.438 -1.208 17968
798 1 3 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.365 3.465 17968
799 1 3 . 1 1 32 32 CYS H H 30 8.240 8.240 8.801 -0.561 17968
800 1 3 . 1 1 33 33 VAL N N 31 132.310 132.310 126.773 5.537 17968
801 1 3 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.209 -0.129 17968
802 1 3 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.007 0.323 17968
803 1 3 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.559 0.071 17968
804 1 3 . 1 1 33 33 VAL H H 31 8.880 8.880 8.318 0.562 17968
805 1 3 . 1 1 34 34 TYR N N 32 124.210 124.210 117.298 6.912 17968
806 1 3 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.555 -0.105 17968
807 1 3 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.409 1.621 17968
808 1 3 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.336 0.694 17968
809 1 3 . 1 1 34 34 TYR H H 32 8.620 8.620 7.383 1.237 17968
810 1 3 . 1 1 35 35 CYS N N 33 119.810 119.810 116.828 2.982 17968
811 1 3 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.428 0.372 17968
812 1 3 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.555 -0.225 17968
813 1 3 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.064 4.166 17968
814 1 3 . 1 1 35 35 CYS H H 33 8.090 8.090 7.837 0.253 17968
815 1 3 . 1 1 36 36 LYS N N 34 119.810 119.810 116.535 3.275 17968
816 1 3 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.926 0.234 17968
817 1 3 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.987 0.843 17968
818 1 3 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.779 -1.549 17968
819 1 3 . 1 1 36 36 LYS H H 34 7.870 7.870 8.004 -0.134 17968
820 1 3 . 1 1 37 37 GLN N N 35 120.610 120.610 117.736 2.874 17968
821 1 3 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.292 0.078 17968
822 1 3 . 1 1 37 37 GLN CA C 35 55.430 55.430 56.105 -0.675 17968
823 1 3 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.513 0.217 17968
824 1 3 . 1 1 37 37 GLN H H 35 8.250 8.250 7.971 0.279 17968
825 1 3 . 1 1 38 38 GLN N N 36 123.610 123.610 124.579 -0.969 17968
826 1 3 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.336 0.024 17968
827 1 3 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.596 0.234 17968
828 1 3 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.997 0.433 17968
829 1 3 . 1 1 38 38 GLN H H 36 8.630 8.630 8.608 0.022 17968
830 1 3 . 1 1 39 39 LEU N N 37 131.410 131.410 128.027 3.383 17968
831 1 3 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.288 -0.188 17968
832 1 3 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.264 1.966 17968
833 1 3 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.350 -0.220 17968
834 1 3 . 1 1 39 39 LEU H H 37 8.830 8.830 8.589 0.241 17968
835 1 3 . 1 1 40 40 LEU N N 38 126.410 126.410 123.875 2.535 17968
836 1 3 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.360 -0.070 17968
837 1 3 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.247 0.083 17968
838 1 3 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.820 0.110 17968
839 1 3 . 1 1 40 40 LEU H H 38 9.780 9.780 8.148 1.632 17968
840 1 3 . 1 1 41 41 ARG N N 39 126.610 126.610 120.912 5.698 17968
841 1 3 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.798 -0.348 17968
842 1 3 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.219 -1.289 17968
843 1 3 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.784 -2.754 17968
844 1 3 . 1 1 41 41 ARG H H 39 8.880 8.880 8.664 0.216 17968
845 1 3 . 1 1 42 42 ARG N N 40 116.410 116.410 119.661 -3.251 17968
846 1 3 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.094 -0.094 17968
847 1 3 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.673 -1.143 17968
848 1 3 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.722 3.108 17968
849 1 3 . 1 1 42 42 ARG H H 40 8.590 8.590 8.486 0.104 17968
850 1 3 . 1 1 43 43 GLU N N 41 117.710 117.710 118.502 -0.792 17968
851 1 3 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.169 0.091 17968
852 1 3 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.931 -0.001 17968
853 1 3 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.542 1.988 17968
854 1 3 . 1 1 43 43 GLU H H 41 6.800 6.800 7.941 -1.141 17968
855 1 3 . 1 1 44 44 VAL N N 42 124.710 124.710 120.966 3.744 17968
856 1 3 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.701 -0.521 17968
857 1 3 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.421 1.109 17968
858 1 3 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.747 0.583 17968
859 1 3 . 1 1 44 44 VAL H H 42 7.760 7.760 7.907 -0.147 17968
860 1 3 . 1 1 45 45 TYR N N 43 118.310 118.310 119.681 -1.371 17968
861 1 3 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.309 -0.119 17968
862 1 3 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.251 -0.121 17968
863 1 3 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.352 1.379 17968
864 1 3 . 1 1 45 45 TYR H H 43 7.600 7.600 8.018 -0.418 17968
865 1 3 . 1 1 46 46 ASP N N 44 120.910 120.910 120.225 0.685 17968
866 1 3 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.365 0.345 17968
867 1 3 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.827 0.203 17968
868 1 3 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.783 0.047 17968
869 1 3 . 1 1 46 46 ASP H H 44 8.660 8.660 8.042 0.618 17968
870 1 3 . 1 1 47 47 PHE N N 45 125.310 125.310 120.958 4.352 17968
871 1 3 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.241 -0.311 17968
872 1 3 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.484 1.146 17968
873 1 3 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.259 -0.229 17968
874 1 3 . 1 1 47 47 PHE H H 45 8.250 8.250 8.356 -0.106 17968
875 1 3 . 1 1 48 48 ALA N N 46 119.710 119.710 121.776 -2.066 17968
876 1 3 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.255 0.245 17968
877 1 3 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.365 -0.235 17968
878 1 3 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.192 0.538 17968
879 1 3 . 1 1 48 48 ALA H H 46 7.790 7.790 8.482 -0.692 17968
880 1 3 . 1 1 49 49 PHE N N 47 123.210 123.210 117.524 5.686 17968
881 1 3 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.346 0.204 17968
882 1 3 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.921 0.609 17968
883 1 3 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.600 -0.570 17968
884 1 3 . 1 1 49 49 PHE H H 47 9.040 9.040 8.029 1.011 17968
885 1 3 . 1 1 50 50 ARG N N 48 119.810 119.810 118.540 1.270 17968
886 1 3 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.526 -0.476 17968
887 1 3 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.456 2.674 17968
888 1 3 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.761 -1.731 17968
889 1 3 . 1 1 50 50 ARG H H 48 8.100 8.100 7.455 0.645 17968
890 1 3 . 1 1 51 51 ASP N N 49 120.910 120.910 121.390 -0.480 17968
891 1 3 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.754 -0.304 17968
892 1 3 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.660 0.870 17968
893 1 3 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.048 -0.118 17968
894 1 3 . 1 1 51 51 ASP H H 49 8.010 8.010 8.540 -0.530 17968
895 1 3 . 1 1 52 52 LEU N N 50 118.510 118.510 121.741 -3.231 17968
896 1 3 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.448 -0.278 17968
897 1 3 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.272 0.958 17968
898 1 3 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.099 -1.869 17968
899 1 3 . 1 1 52 52 LEU H H 50 6.720 6.720 7.546 -0.826 17968
900 1 3 . 1 1 53 53 CYS N N 51 117.410 117.410 118.952 -1.542 17968
901 1 3 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.707 0.203 17968
902 1 3 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.812 1.917 17968
903 1 3 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.119 -0.389 17968
904 1 3 . 1 1 53 53 CYS H H 51 8.030 8.030 8.261 -0.231 17968
905 1 3 . 1 1 54 54 ILE N N 52 125.110 125.110 123.023 2.087 17968
906 1 3 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.092 -0.102 17968
907 1 3 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.302 -1.372 17968
908 1 3 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.117 -0.387 17968
909 1 3 . 1 1 54 54 ILE H H 52 8.450 8.450 7.886 0.564 17968
910 1 3 . 1 1 55 55 VAL N N 53 127.010 127.010 127.038 -0.028 17968
911 1 3 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.104 0.246 17968
912 1 3 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.484 -0.855 17968
913 1 3 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.908 2.322 17968
914 1 3 . 1 1 55 55 VAL H H 53 8.120 8.120 7.960 0.160 17968
915 1 3 . 1 1 56 56 TYR N N 54 125.010 125.010 127.672 -2.662 17968
916 1 3 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.868 0.512 17968
917 1 3 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.331 0.098 17968
918 1 3 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.825 2.205 17968
919 1 3 . 1 1 56 56 TYR H H 54 8.710 8.710 8.448 0.262 17968
920 1 3 . 1 1 57 57 ARG N N 55 123.810 123.810 125.643 -1.833 17968
921 1 3 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.473 0.157 17968
922 1 3 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.257 0.073 17968
923 1 3 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.840 1.990 17968
924 1 3 . 1 1 57 57 ARG H H 55 8.860 8.860 8.281 0.579 17968
925 1 3 . 1 1 58 58 ASP N N 56 129.110 129.110 124.762 4.348 17968
926 1 3 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.372 -0.072 17968
927 1 3 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.787 -0.057 17968
928 1 3 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.700 -0.570 17968
929 1 3 . 1 1 58 58 ASP H H 56 9.630 9.630 9.164 0.466 17968
930 1 3 . 1 1 59 59 GLY N N 57 104.510 104.510 103.146 1.364 17968
931 1 3 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.832 0.798 17968
932 1 3 . 1 1 59 59 GLY H H 57 8.710 8.710 7.953 0.757 17968
933 1 3 . 1 1 60 60 ASN N N 58 122.110 122.110 120.958 1.152 17968
934 1 3 . 1 1 60 60 ASN HA H 58 5.380 5.380 4.987 0.393 17968
935 1 3 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.078 0.252 17968
936 1 3 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.221 1.209 17968
937 1 3 . 1 1 60 60 ASN H H 58 8.130 8.130 7.742 0.388 17968
938 1 3 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.367 -0.597 17968
939 1 3 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.787 -0.757 17968
940 1 3 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.918 2.512 17968
941 1 3 . 1 1 62 62 TYR N N 60 119.910 119.910 124.201 -4.291 17968
942 1 3 . 1 1 62 62 TYR HA H 60 4.350 4.350 5.443 -1.093 17968
943 1 3 . 1 1 62 62 TYR CA C 60 58.130 58.130 55.683 2.447 17968
944 1 3 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.330 1.100 17968
945 1 3 . 1 1 62 62 TYR H H 60 8.580 8.580 7.425 1.155 17968
946 1 3 . 1 1 63 63 ALA N N 61 123.710 123.710 119.456 4.254 17968
947 1 3 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.711 -0.331 17968
948 1 3 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.032 -0.702 17968
949 1 3 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.875 -1.645 17968
950 1 3 . 1 1 63 63 ALA H H 61 7.980 7.980 8.822 -0.842 17968
951 1 3 . 1 1 64 64 VAL N N 62 120.610 120.610 115.357 5.253 17968
952 1 3 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.432 1.048 17968
953 1 3 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.515 0.815 17968
954 1 3 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.210 4.020 17968
955 1 3 . 1 1 64 64 VAL H H 62 6.330 6.330 8.372 -2.042 17968
956 1 3 . 1 1 65 65 CYS N N 63 130.310 130.310 122.497 7.813 17968
957 1 3 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.545 0.015 17968
958 1 3 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.776 0.654 17968
959 1 3 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.458 1.572 17968
960 1 3 . 1 1 65 65 CYS H H 63 9.420 9.420 8.389 1.031 17968
961 1 3 . 1 1 66 66 ASP N N 64 121.110 121.110 120.994 0.116 17968
962 1 3 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.236 0.174 17968
963 1 3 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.782 0.648 17968
964 1 3 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.015 1.515 17968
965 1 3 . 1 1 66 66 ASP H H 64 9.040 9.040 9.128 -0.088 17968
966 1 3 . 1 1 67 67 LYS N N 65 121.910 121.910 119.267 2.643 17968
967 1 3 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.807 0.183 17968
968 1 3 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.078 1.052 17968
969 1 3 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.245 0.585 17968
970 1 3 . 1 1 67 67 LYS H H 65 8.330 8.330 7.824 0.506 17968
971 1 3 . 1 1 68 68 CYS N N 66 125.510 125.510 119.674 5.836 17968
972 1 3 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.570 -0.460 17968
973 1 3 . 1 1 68 68 CYS CA C 66 63.730 63.730 63.029 0.702 17968
974 1 3 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.150 4.480 17968
975 1 3 . 1 1 68 68 CYS H H 66 8.690 8.690 7.715 0.975 17968
976 1 3 . 1 1 69 69 LEU N N 67 125.110 125.110 120.302 4.808 17968
977 1 3 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.017 0.013 17968
978 1 3 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.137 0.493 17968
979 1 3 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.714 0.516 17968
980 1 3 . 1 1 69 69 LEU H H 67 8.460 8.460 8.653 -0.193 17968
981 1 3 . 1 1 70 70 LYS N N 68 119.210 119.210 118.630 0.580 17968
982 1 3 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.119 -0.139 17968
983 1 3 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.502 0.527 17968
984 1 3 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.852 -0.622 17968
985 1 3 . 1 1 70 70 LYS H H 68 7.830 7.830 7.417 0.413 17968
986 1 3 . 1 1 71 71 PHE N N 69 121.710 121.710 116.878 4.832 17968
987 1 3 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.308 -0.038 17968
988 1 3 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.777 0.353 17968
989 1 3 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.038 0.392 17968
990 1 3 . 1 1 71 71 PHE H H 69 7.810 7.810 7.706 0.104 17968
991 1 4 . 1 1 4 4 PHE N N 2 122.310 122.310 123.398 -1.088 17968
992 1 4 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.838 -0.218 17968
993 1 4 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.189 -0.859 17968
994 1 4 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.753 -0.323 17968
995 1 4 . 1 1 4 4 PHE H H 2 8.370 8.370 8.642 -0.272 17968
996 1 4 . 1 1 5 5 GLN N N 3 123.510 123.510 120.698 2.812 17968
997 1 4 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.570 -0.380 17968
998 1 4 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.856 2.174 17968
999 1 4 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.386 -0.456 17968
1000 1 4 . 1 1 5 5 GLN H H 3 8.250 8.250 7.850 0.400 17968
1001 1 4 . 1 1 6 6 ASP N N 4 125.010 125.010 120.174 4.836 17968
1002 1 4 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.516 0.324 17968
1003 1 4 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.469 -1.440 17968
1004 1 4 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.562 0.168 17968
1005 1 4 . 1 1 6 6 ASP H H 4 8.410 8.410 8.406 0.004 17968
1006 1 4 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.592 -0.472 17968
1007 1 4 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.289 0.841 17968
1008 1 4 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.374 -0.044 17968
1009 1 4 . 1 1 8 8 GLN N N 6 119.710 119.710 120.068 -0.358 17968
1010 1 4 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.359 -0.209 17968
1011 1 4 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.767 -0.138 17968
1012 1 4 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.436 0.894 17968
1013 1 4 . 1 1 8 8 GLN H H 6 8.430 8.430 7.600 0.830 17968
1014 1 4 . 1 1 9 9 GLU N N 7 122.110 122.110 124.834 -2.724 17968
1015 1 4 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.390 -0.210 17968
1016 1 4 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.036 1.094 17968
1017 1 4 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.677 -0.146 17968
1018 1 4 . 1 1 9 9 GLU H H 7 7.940 7.940 9.444 -1.504 17968
1019 1 4 . 1 1 10 10 ARG N N 8 123.410 123.410 116.057 7.353 17968
1020 1 4 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.114 0.296 17968
1021 1 4 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.620 -1.490 17968
1022 1 4 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.327 2.003 17968
1023 1 4 . 1 1 10 10 ARG H H 8 7.670 7.670 7.790 -0.120 17968
1024 1 4 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.495 -0.155 17968
1025 1 4 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.909 0.621 17968
1026 1 4 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.631 -0.001 17968
1027 1 4 . 1 1 12 12 ARG N N 10 123.810 123.810 120.112 3.698 17968
1028 1 4 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.541 0.119 17968
1029 1 4 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.193 0.637 17968
1030 1 4 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.759 1.771 17968
1031 1 4 . 1 1 12 12 ARG H H 10 8.700 8.700 8.773 -0.073 17968
1032 1 4 . 1 1 13 13 LYS N N 11 118.310 118.310 118.571 -0.261 17968
1033 1 4 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.712 0.338 17968
1034 1 4 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.988 -0.758 17968
1035 1 4 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.393 1.237 17968
1036 1 4 . 1 1 13 13 LYS H H 11 7.810 7.810 7.569 0.241 17968
1037 1 4 . 1 1 14 14 LEU N N 12 124.810 124.810 127.417 -2.607 17968
1038 1 4 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.230 -0.080 17968
1039 1 4 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.702 -0.072 17968
1040 1 4 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.872 0.658 17968
1041 1 4 . 1 1 14 14 LEU H H 12 10.210 10.210 9.233 0.977 17968
1042 1 4 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.174 -0.004 17968
1043 1 4 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.886 1.444 17968
1044 1 4 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.093 -0.563 17968
1045 1 4 . 1 1 16 16 GLN N N 14 117.710 117.710 117.421 0.289 17968
1046 1 4 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.174 -0.014 17968
1047 1 4 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.516 0.614 17968
1048 1 4 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.447 0.183 17968
1049 1 4 . 1 1 16 16 GLN H H 14 7.100 7.100 7.911 -0.811 17968
1050 1 4 . 1 1 17 17 LEU N N 15 124.610 124.610 121.881 2.729 17968
1051 1 4 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.158 -0.158 17968
1052 1 4 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.762 0.868 17968
1053 1 4 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.712 0.318 17968
1054 1 4 . 1 1 17 17 LEU H H 15 8.020 8.020 7.913 0.107 17968
1055 1 4 . 1 1 18 18 CYS N N 16 117.210 117.210 116.995 0.215 17968
1056 1 4 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.110 -0.380 17968
1057 1 4 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.496 1.334 17968
1058 1 4 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.176 0.054 17968
1059 1 4 . 1 1 18 18 CYS H H 16 8.410 8.410 8.047 0.363 17968
1060 1 4 . 1 1 19 19 THR N N 17 117.710 117.710 115.536 2.174 17968
1061 1 4 . 1 1 19 19 THR HA H 17 3.990 3.990 4.104 -0.114 17968
1062 1 4 . 1 1 19 19 THR CA C 17 66.830 66.830 66.663 0.167 17968
1063 1 4 . 1 1 19 19 THR CB C 17 68.830 68.830 68.392 0.438 17968
1064 1 4 . 1 1 19 19 THR H H 17 7.670 7.670 7.593 0.077 17968
1065 1 4 . 1 1 20 20 GLU N N 18 125.410 125.410 120.363 5.047 17968
1066 1 4 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.141 -0.081 17968
1067 1 4 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.443 1.387 17968
1068 1 4 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.450 0.180 17968
1069 1 4 . 1 1 20 20 GLU H H 18 7.980 7.980 7.622 0.358 17968
1070 1 4 . 1 1 21 21 LEU N N 19 118.810 118.810 117.343 1.467 17968
1071 1 4 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.230 0.060 17968
1072 1 4 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.286 -0.356 17968
1073 1 4 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.481 -0.251 17968
1074 1 4 . 1 1 21 21 LEU H H 19 7.990 7.990 7.829 0.161 17968
1075 1 4 . 1 1 22 22 GLN N N 20 118.310 118.310 114.788 3.522 17968
1076 1 4 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.053 -0.113 17968
1077 1 4 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.006 -0.376 17968
1078 1 4 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.087 0.043 17968
1079 1 4 . 1 1 22 22 GLN H H 20 7.850 7.850 7.551 0.299 17968
1080 1 4 . 1 1 23 23 THR N N 21 115.810 115.810 113.412 2.398 17968
1081 1 4 . 1 1 23 23 THR HA H 21 4.920 4.920 4.765 0.155 17968
1082 1 4 . 1 1 23 23 THR CA C 21 58.730 58.730 60.818 -2.088 17968
1083 1 4 . 1 1 23 23 THR CB C 21 70.330 70.330 70.318 0.012 17968
1084 1 4 . 1 1 23 23 THR H H 21 8.210 8.210 8.294 -0.084 17968
1085 1 4 . 1 1 24 24 THR N N 22 112.810 112.810 113.566 -0.756 17968
1086 1 4 . 1 1 24 24 THR HA H 22 4.860 4.860 4.810 0.050 17968
1087 1 4 . 1 1 24 24 THR CA C 22 59.830 59.830 60.343 -0.513 17968
1088 1 4 . 1 1 24 24 THR CB C 22 74.030 74.030 70.835 3.195 17968
1089 1 4 . 1 1 24 24 THR H H 22 8.620 8.620 8.096 0.524 17968
1090 1 4 . 1 1 25 25 ILE N N 23 124.310 124.310 117.212 7.098 17968
1091 1 4 . 1 1 25 25 ILE HA H 23 3.660 3.660 4.011 -0.351 17968
1092 1 4 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.672 0.058 17968
1093 1 4 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.288 0.941 17968
1094 1 4 . 1 1 25 25 ILE H H 23 9.020 9.020 8.471 0.549 17968
1095 1 4 . 1 1 26 26 HIS N N 24 119.210 119.210 114.796 4.414 17968
1096 1 4 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.910 -0.530 17968
1097 1 4 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.108 -0.679 17968
1098 1 4 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.884 -0.154 17968
1099 1 4 . 1 1 26 26 HIS H H 24 6.870 6.870 7.602 -0.732 17968
1100 1 4 . 1 1 27 27 ASP N N 25 116.510 116.510 118.116 -1.606 17968
1101 1 4 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.746 0.004 17968
1102 1 4 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.882 0.548 17968
1103 1 4 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.931 1.399 17968
1104 1 4 . 1 1 27 27 ASP H H 25 7.220 7.220 7.660 -0.440 17968
1105 1 4 . 1 1 28 28 ILE N N 26 123.310 123.310 122.232 1.078 17968
1106 1 4 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.037 -0.137 17968
1107 1 4 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.230 0.900 17968
1108 1 4 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.328 -0.397 17968
1109 1 4 . 1 1 28 28 ILE H H 26 7.690 7.690 7.410 0.280 17968
1110 1 4 . 1 1 29 29 ILE N N 27 130.910 130.910 129.946 0.964 17968
1111 1 4 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.215 0.145 17968
1112 1 4 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.105 -0.275 17968
1113 1 4 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.414 0.316 17968
1114 1 4 . 1 1 29 29 ILE H H 27 8.230 8.230 8.298 -0.068 17968
1115 1 4 . 1 1 30 30 LEU N N 28 129.310 129.310 128.909 0.401 17968
1116 1 4 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.586 0.064 17968
1117 1 4 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.080 -0.550 17968
1118 1 4 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.330 2.000 17968
1119 1 4 . 1 1 30 30 LEU H H 28 8.450 8.450 8.548 -0.098 17968
1120 1 4 . 1 1 31 31 GLU N N 29 121.810 121.810 117.867 3.943 17968
1121 1 4 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.994 -0.334 17968
1122 1 4 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.504 0.226 17968
1123 1 4 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.992 0.938 17968
1124 1 4 . 1 1 31 31 GLU H H 29 8.820 8.820 8.426 0.394 17968
1125 1 4 . 1 1 32 32 CYS N N 30 125.510 125.510 122.079 3.431 17968
1126 1 4 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.842 -0.812 17968
1127 1 4 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.642 -1.412 17968
1128 1 4 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.822 4.008 17968
1129 1 4 . 1 1 32 32 CYS H H 30 8.240 8.240 8.909 -0.669 17968
1130 1 4 . 1 1 33 33 VAL N N 31 132.310 132.310 127.449 4.861 17968
1131 1 4 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.161 -0.081 17968
1132 1 4 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.961 -0.631 17968
1133 1 4 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.976 -0.346 17968
1134 1 4 . 1 1 33 33 VAL H H 31 8.880 8.880 8.403 0.477 17968
1135 1 4 . 1 1 34 34 TYR N N 32 124.210 124.210 115.247 8.963 17968
1136 1 4 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.472 -0.022 17968
1137 1 4 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.440 0.590 17968
1138 1 4 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.754 1.276 17968
1139 1 4 . 1 1 34 34 TYR H H 32 8.620 8.620 7.326 1.294 17968
1140 1 4 . 1 1 35 35 CYS N N 33 119.810 119.810 115.047 4.763 17968
1141 1 4 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.478 0.322 17968
1142 1 4 . 1 1 35 35 CYS CA C 33 59.330 59.330 58.867 0.463 17968
1143 1 4 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.303 4.927 17968
1144 1 4 . 1 1 35 35 CYS H H 33 8.090 8.090 7.637 0.453 17968
1145 1 4 . 1 1 36 36 LYS N N 34 119.810 119.810 117.790 2.020 17968
1146 1 4 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.255 -0.095 17968
1147 1 4 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.088 0.742 17968
1148 1 4 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.558 -1.328 17968
1149 1 4 . 1 1 36 36 LYS H H 34 7.870 7.870 7.839 0.031 17968
1150 1 4 . 1 1 37 37 GLN N N 35 120.610 120.610 116.658 3.952 17968
1151 1 4 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.543 -0.173 17968
1152 1 4 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.210 1.220 17968
1153 1 4 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.358 -1.628 17968
1154 1 4 . 1 1 37 37 GLN H H 35 8.250 8.250 8.009 0.241 17968
1155 1 4 . 1 1 38 38 GLN N N 36 123.610 123.610 122.596 1.014 17968
1156 1 4 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.289 0.071 17968
1157 1 4 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.820 0.010 17968
1158 1 4 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.997 0.433 17968
1159 1 4 . 1 1 38 38 GLN H H 36 8.630 8.630 8.594 0.036 17968
1160 1 4 . 1 1 39 39 LEU N N 37 131.410 131.410 126.324 5.086 17968
1161 1 4 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.296 -0.196 17968
1162 1 4 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.700 2.530 17968
1163 1 4 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.604 -0.474 17968
1164 1 4 . 1 1 39 39 LEU H H 37 8.830 8.830 8.707 0.123 17968
1165 1 4 . 1 1 40 40 LEU N N 38 126.410 126.410 122.170 4.240 17968
1166 1 4 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.466 -0.176 17968
1167 1 4 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.871 0.459 17968
1168 1 4 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.855 0.075 17968
1169 1 4 . 1 1 40 40 LEU H H 38 9.780 9.780 7.939 1.841 17968
1170 1 4 . 1 1 41 41 ARG N N 39 126.610 126.610 120.730 5.880 17968
1171 1 4 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.652 -0.202 17968
1172 1 4 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.854 -0.924 17968
1173 1 4 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.548 -2.518 17968
1174 1 4 . 1 1 41 41 ARG H H 39 8.880 8.880 8.697 0.183 17968
1175 1 4 . 1 1 42 42 ARG N N 40 116.410 116.410 119.819 -3.409 17968
1176 1 4 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.030 -0.030 17968
1177 1 4 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.380 -0.850 17968
1178 1 4 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.848 2.982 17968
1179 1 4 . 1 1 42 42 ARG H H 40 8.590 8.590 8.525 0.065 17968
1180 1 4 . 1 1 43 43 GLU N N 41 117.710 117.710 118.305 -0.595 17968
1181 1 4 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.206 0.054 17968
1182 1 4 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.596 0.334 17968
1183 1 4 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.004 1.526 17968
1184 1 4 . 1 1 43 43 GLU H H 41 6.800 6.800 7.723 -0.923 17968
1185 1 4 . 1 1 44 44 VAL N N 42 124.710 124.710 121.202 3.508 17968
1186 1 4 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.558 -0.378 17968
1187 1 4 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.494 1.036 17968
1188 1 4 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.535 -0.205 17968
1189 1 4 . 1 1 44 44 VAL H H 42 7.760 7.760 7.435 0.325 17968
1190 1 4 . 1 1 45 45 TYR N N 43 118.310 118.310 117.646 0.664 17968
1191 1 4 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.215 -0.025 17968
1192 1 4 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.859 0.271 17968
1193 1 4 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.180 1.550 17968
1194 1 4 . 1 1 45 45 TYR H H 43 7.600 7.600 7.671 -0.071 17968
1195 1 4 . 1 1 46 46 ASP N N 44 120.910 120.910 120.636 0.274 17968
1196 1 4 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.452 0.258 17968
1197 1 4 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.575 0.455 17968
1198 1 4 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.889 -0.059 17968
1199 1 4 . 1 1 46 46 ASP H H 44 8.660 8.660 7.593 1.067 17968
1200 1 4 . 1 1 47 47 PHE N N 45 125.310 125.310 120.576 4.734 17968
1201 1 4 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.190 -0.260 17968
1202 1 4 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.486 1.144 17968
1203 1 4 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.251 -0.221 17968
1204 1 4 . 1 1 47 47 PHE H H 45 8.250 8.250 8.278 -0.028 17968
1205 1 4 . 1 1 48 48 ALA N N 46 119.710 119.710 120.442 -0.732 17968
1206 1 4 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.279 0.221 17968
1207 1 4 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.799 0.331 17968
1208 1 4 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.722 0.008 17968
1209 1 4 . 1 1 48 48 ALA H H 46 7.790 7.790 7.608 0.182 17968
1210 1 4 . 1 1 49 49 PHE N N 47 123.210 123.210 119.735 3.475 17968
1211 1 4 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.370 0.180 17968
1212 1 4 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.516 0.014 17968
1213 1 4 . 1 1 49 49 PHE CB C 47 39.030 39.030 40.038 -1.008 17968
1214 1 4 . 1 1 49 49 PHE H H 47 9.040 9.040 7.911 1.129 17968
1215 1 4 . 1 1 50 50 ARG N N 48 119.810 119.810 118.801 1.009 17968
1216 1 4 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.258 -0.208 17968
1217 1 4 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.338 1.792 17968
1218 1 4 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.909 0.121 17968
1219 1 4 . 1 1 50 50 ARG H H 48 8.100 8.100 8.207 -0.107 17968
1220 1 4 . 1 1 51 51 ASP N N 49 120.910 120.910 120.828 0.082 17968
1221 1 4 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.608 -0.158 17968
1222 1 4 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.247 0.283 17968
1223 1 4 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.554 -0.624 17968
1224 1 4 . 1 1 51 51 ASP H H 49 8.010 8.010 8.492 -0.482 17968
1225 1 4 . 1 1 52 52 LEU N N 50 118.510 118.510 122.792 -4.282 17968
1226 1 4 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.582 -0.412 17968
1227 1 4 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.302 0.928 17968
1228 1 4 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.090 -3.860 17968
1229 1 4 . 1 1 52 52 LEU H H 50 6.720 6.720 7.733 -1.013 17968
1230 1 4 . 1 1 53 53 CYS N N 51 117.410 117.410 117.797 -0.387 17968
1231 1 4 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.147 -0.237 17968
1232 1 4 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.770 1.960 17968
1233 1 4 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.874 -2.144 17968
1234 1 4 . 1 1 53 53 CYS H H 51 8.030 8.030 8.378 -0.348 17968
1235 1 4 . 1 1 54 54 ILE N N 52 125.110 125.110 123.729 1.381 17968
1236 1 4 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.193 -0.203 17968
1237 1 4 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.821 -1.891 17968
1238 1 4 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.273 -0.543 17968
1239 1 4 . 1 1 54 54 ILE H H 52 8.450 8.450 8.448 0.002 17968
1240 1 4 . 1 1 55 55 VAL N N 53 127.010 127.010 123.568 3.442 17968
1241 1 4 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.377 -0.027 17968
1242 1 4 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.177 -0.547 17968
1243 1 4 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.717 1.513 17968
1244 1 4 . 1 1 55 55 VAL H H 53 8.120 8.120 7.964 0.156 17968
1245 1 4 . 1 1 56 56 TYR N N 54 125.010 125.010 125.652 -0.642 17968
1246 1 4 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.128 0.252 17968
1247 1 4 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.169 0.261 17968
1248 1 4 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.603 1.427 17968
1249 1 4 . 1 1 56 56 TYR H H 54 8.710 8.710 8.723 -0.013 17968
1250 1 4 . 1 1 57 57 ARG N N 55 123.810 123.810 126.937 -3.127 17968
1251 1 4 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.403 0.227 17968
1252 1 4 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.355 -0.025 17968
1253 1 4 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.865 1.965 17968
1254 1 4 . 1 1 57 57 ARG H H 55 8.860 8.860 8.541 0.319 17968
1255 1 4 . 1 1 58 58 ASP N N 56 129.110 129.110 127.119 1.991 17968
1256 1 4 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.390 -0.090 17968
1257 1 4 . 1 1 58 58 ASP CA C 56 55.730 55.730 54.817 0.913 17968
1258 1 4 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.214 -0.084 17968
1259 1 4 . 1 1 58 58 ASP H H 56 9.630 9.630 9.149 0.481 17968
1260 1 4 . 1 1 59 59 GLY N N 57 104.510 104.510 103.726 0.784 17968
1261 1 4 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.075 0.555 17968
1262 1 4 . 1 1 59 59 GLY H H 57 8.710 8.710 8.348 0.362 17968
1263 1 4 . 1 1 60 60 ASN N N 58 122.110 122.110 120.348 1.762 17968
1264 1 4 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.123 0.257 17968
1265 1 4 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.664 -0.334 17968
1266 1 4 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.734 0.695 17968
1267 1 4 . 1 1 60 60 ASN H H 58 8.130 8.130 7.983 0.147 17968
1268 1 4 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.227 0.543 17968
1269 1 4 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.753 -0.723 17968
1270 1 4 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.779 2.651 17968
1271 1 4 . 1 1 62 62 TYR N N 60 119.910 119.910 124.224 -4.314 17968
1272 1 4 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.734 -0.384 17968
1273 1 4 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.771 1.359 17968
1274 1 4 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.171 0.259 17968
1275 1 4 . 1 1 62 62 TYR H H 60 8.580 8.580 8.211 0.369 17968
1276 1 4 . 1 1 63 63 ALA N N 61 123.710 123.710 120.323 3.387 17968
1277 1 4 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.617 -0.237 17968
1278 1 4 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.963 -0.633 17968
1279 1 4 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.913 -1.683 17968
1280 1 4 . 1 1 63 63 ALA H H 61 7.980 7.980 9.032 -1.052 17968
1281 1 4 . 1 1 64 64 VAL N N 62 120.610 120.610 118.506 2.104 17968
1282 1 4 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.392 1.088 17968
1283 1 4 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.263 0.068 17968
1284 1 4 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.365 2.865 17968
1285 1 4 . 1 1 64 64 VAL H H 62 6.330 6.330 8.459 -2.129 17968
1286 1 4 . 1 1 65 65 CYS N N 63 130.310 130.310 124.949 5.361 17968
1287 1 4 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.588 -0.028 17968
1288 1 4 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.958 0.472 17968
1289 1 4 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.424 2.606 17968
1290 1 4 . 1 1 65 65 CYS H H 63 9.420 9.420 8.470 0.950 17968
1291 1 4 . 1 1 66 66 ASP N N 64 121.110 121.110 119.632 1.478 17968
1292 1 4 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.459 -0.049 17968
1293 1 4 . 1 1 66 66 ASP CA C 64 58.430 58.430 56.807 1.623 17968
1294 1 4 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.686 1.844 17968
1295 1 4 . 1 1 66 66 ASP H H 64 9.040 9.040 8.804 0.236 17968
1296 1 4 . 1 1 67 67 LYS N N 65 121.910 121.910 119.377 2.533 17968
1297 1 4 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.330 -0.340 17968
1298 1 4 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.955 1.175 17968
1299 1 4 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.657 0.173 17968
1300 1 4 . 1 1 67 67 LYS H H 65 8.330 8.330 7.550 0.780 17968
1301 1 4 . 1 1 68 68 CYS N N 66 125.510 125.510 119.267 6.243 17968
1302 1 4 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.392 -0.282 17968
1303 1 4 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.695 2.035 17968
1304 1 4 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.865 4.765 17968
1305 1 4 . 1 1 68 68 CYS H H 66 8.690 8.690 7.756 0.934 17968
1306 1 4 . 1 1 69 69 LEU N N 67 125.110 125.110 122.637 2.473 17968
1307 1 4 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.179 -0.149 17968
1308 1 4 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.325 0.305 17968
1309 1 4 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.081 0.148 17968
1310 1 4 . 1 1 69 69 LEU H H 67 8.460 8.460 8.290 0.170 17968
1311 1 4 . 1 1 70 70 LYS N N 68 119.210 119.210 117.805 1.405 17968
1312 1 4 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.196 -0.216 17968
1313 1 4 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.692 1.338 17968
1314 1 4 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.373 -0.143 17968
1315 1 4 . 1 1 70 70 LYS H H 68 7.830 7.830 8.088 -0.258 17968
1316 1 4 . 1 1 71 71 PHE N N 69 121.710 121.710 119.210 2.500 17968
1317 1 4 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.193 0.077 17968
1318 1 4 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.571 -0.441 17968
1319 1 4 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.655 -0.225 17968
1320 1 4 . 1 1 71 71 PHE H H 69 7.810 7.810 7.763 0.047 17968
1321 1 5 . 1 1 4 4 PHE N N 2 122.310 122.310 124.426 -2.116 17968
1322 1 5 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.846 -0.226 17968
1323 1 5 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.226 0.104 17968
1324 1 5 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.309 -0.879 17968
1325 1 5 . 1 1 4 4 PHE H H 2 8.370 8.370 8.494 -0.124 17968
1326 1 5 . 1 1 5 5 GLN N N 3 123.510 123.510 124.118 -0.608 17968
1327 1 5 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.530 -0.340 17968
1328 1 5 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.029 2.001 17968
1329 1 5 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.829 -0.899 17968
1330 1 5 . 1 1 5 5 GLN H H 3 8.250 8.250 8.047 0.203 17968
1331 1 5 . 1 1 6 6 ASP N N 4 125.010 125.010 119.119 5.891 17968
1332 1 5 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.619 0.221 17968
1333 1 5 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.444 -1.415 17968
1334 1 5 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.298 1.432 17968
1335 1 5 . 1 1 6 6 ASP H H 4 8.410 8.410 8.440 -0.030 17968
1336 1 5 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.406 -0.286 17968
1337 1 5 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.990 1.140 17968
1338 1 5 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.851 0.479 17968
1339 1 5 . 1 1 8 8 GLN N N 6 119.710 119.710 118.766 0.944 17968
1340 1 5 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.095 0.055 17968
1341 1 5 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.571 2.059 17968
1342 1 5 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.442 0.888 17968
1343 1 5 . 1 1 8 8 GLN H H 6 8.430 8.430 7.281 1.149 17968
1344 1 5 . 1 1 9 9 GLU N N 7 122.110 122.110 122.226 -0.116 17968
1345 1 5 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.101 0.079 17968
1346 1 5 . 1 1 9 9 GLU CA C 7 56.130 56.130 57.254 -1.124 17968
1347 1 5 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.625 -0.095 17968
1348 1 5 . 1 1 9 9 GLU H H 7 7.940 7.940 8.886 -0.946 17968
1349 1 5 . 1 1 10 10 ARG N N 8 123.410 123.410 116.518 6.892 17968
1350 1 5 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.427 -0.017 17968
1351 1 5 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.055 -1.925 17968
1352 1 5 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.162 1.168 17968
1353 1 5 . 1 1 10 10 ARG H H 8 7.670 7.670 8.595 -0.925 17968
1354 1 5 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.552 -0.212 17968
1355 1 5 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.468 1.062 17968
1356 1 5 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.843 -0.213 17968
1357 1 5 . 1 1 12 12 ARG N N 10 123.810 123.810 117.938 5.872 17968
1358 1 5 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.718 -0.058 17968
1359 1 5 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.829 1.001 17968
1360 1 5 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.794 1.736 17968
1361 1 5 . 1 1 12 12 ARG H H 10 8.700 8.700 8.837 -0.137 17968
1362 1 5 . 1 1 13 13 LYS N N 11 118.310 118.310 120.155 -1.845 17968
1363 1 5 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.676 0.374 17968
1364 1 5 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.904 -1.674 17968
1365 1 5 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.339 1.291 17968
1366 1 5 . 1 1 13 13 LYS H H 11 7.810 7.810 7.435 0.375 17968
1367 1 5 . 1 1 14 14 LEU N N 12 124.810 124.810 127.786 -2.976 17968
1368 1 5 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.211 -0.061 17968
1369 1 5 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.859 -0.229 17968
1370 1 5 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.915 0.615 17968
1371 1 5 . 1 1 14 14 LEU H H 12 10.210 10.210 9.087 1.123 17968
1372 1 5 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.161 0.009 17968
1373 1 5 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.753 1.577 17968
1374 1 5 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.983 -0.453 17968
1375 1 5 . 1 1 16 16 GLN N N 14 117.710 117.710 117.036 0.674 17968
1376 1 5 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.164 -0.004 17968
1377 1 5 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.664 0.466 17968
1378 1 5 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.213 0.417 17968
1379 1 5 . 1 1 16 16 GLN H H 14 7.100 7.100 7.704 -0.604 17968
1380 1 5 . 1 1 17 17 LEU N N 15 124.610 124.610 122.118 2.492 17968
1381 1 5 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.109 -0.109 17968
1382 1 5 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.786 0.844 17968
1383 1 5 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.589 0.441 17968
1384 1 5 . 1 1 17 17 LEU H H 15 8.020 8.020 7.894 0.126 17968
1385 1 5 . 1 1 18 18 CYS N N 16 117.210 117.210 117.334 -0.124 17968
1386 1 5 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.050 -0.320 17968
1387 1 5 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.295 1.534 17968
1388 1 5 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.210 0.020 17968
1389 1 5 . 1 1 18 18 CYS H H 16 8.410 8.410 7.917 0.493 17968
1390 1 5 . 1 1 19 19 THR N N 17 117.710 117.710 116.773 0.937 17968
1391 1 5 . 1 1 19 19 THR HA H 17 3.990 3.990 4.057 -0.067 17968
1392 1 5 . 1 1 19 19 THR CA C 17 66.830 66.830 66.493 0.337 17968
1393 1 5 . 1 1 19 19 THR CB C 17 68.830 68.830 68.400 0.430 17968
1394 1 5 . 1 1 19 19 THR H H 17 7.670 7.670 7.655 0.015 17968
1395 1 5 . 1 1 20 20 GLU N N 18 125.410 125.410 122.131 3.279 17968
1396 1 5 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.191 -0.131 17968
1397 1 5 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.208 0.622 17968
1398 1 5 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.667 -0.037 17968
1399 1 5 . 1 1 20 20 GLU H H 18 7.980 7.980 7.903 0.077 17968
1400 1 5 . 1 1 21 21 LEU N N 19 118.810 118.810 118.283 0.527 17968
1401 1 5 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.447 -0.157 17968
1402 1 5 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.513 -0.583 17968
1403 1 5 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.449 -0.219 17968
1404 1 5 . 1 1 21 21 LEU H H 19 7.990 7.990 7.753 0.237 17968
1405 1 5 . 1 1 22 22 GLN N N 20 118.310 118.310 115.211 3.099 17968
1406 1 5 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.025 -0.085 17968
1407 1 5 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.908 -0.278 17968
1408 1 5 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.213 -0.083 17968
1409 1 5 . 1 1 22 22 GLN H H 20 7.850 7.850 7.816 0.034 17968
1410 1 5 . 1 1 23 23 THR N N 21 115.810 115.810 112.877 2.933 17968
1411 1 5 . 1 1 23 23 THR HA H 21 4.920 4.920 4.741 0.179 17968
1412 1 5 . 1 1 23 23 THR CA C 21 58.730 58.730 60.571 -1.841 17968
1413 1 5 . 1 1 23 23 THR CB C 21 70.330 70.330 70.516 -0.186 17968
1414 1 5 . 1 1 23 23 THR H H 21 8.210 8.210 8.271 -0.061 17968
1415 1 5 . 1 1 24 24 THR N N 22 112.810 112.810 113.052 -0.242 17968
1416 1 5 . 1 1 24 24 THR HA H 22 4.860 4.860 4.808 0.052 17968
1417 1 5 . 1 1 24 24 THR CA C 22 59.830 59.830 60.164 -0.334 17968
1418 1 5 . 1 1 24 24 THR CB C 22 74.030 74.030 71.386 2.643 17968
1419 1 5 . 1 1 24 24 THR H H 22 8.620 8.620 8.057 0.563 17968
1420 1 5 . 1 1 25 25 ILE N N 23 124.310 124.310 117.541 6.769 17968
1421 1 5 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.902 -0.242 17968
1422 1 5 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.126 -0.396 17968
1423 1 5 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.699 0.531 17968
1424 1 5 . 1 1 25 25 ILE H H 23 9.020 9.020 8.358 0.662 17968
1425 1 5 . 1 1 26 26 HIS N N 24 119.210 119.210 113.421 5.789 17968
1426 1 5 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.769 -0.389 17968
1427 1 5 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.730 -0.299 17968
1428 1 5 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.256 0.474 17968
1429 1 5 . 1 1 26 26 HIS H H 24 6.870 6.870 7.643 -0.773 17968
1430 1 5 . 1 1 27 27 ASP N N 25 116.510 116.510 118.201 -1.691 17968
1431 1 5 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.739 0.011 17968
1432 1 5 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.015 0.415 17968
1433 1 5 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.118 1.212 17968
1434 1 5 . 1 1 27 27 ASP H H 25 7.220 7.220 7.648 -0.428 17968
1435 1 5 . 1 1 28 28 ILE N N 26 123.310 123.310 122.367 0.943 17968
1436 1 5 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.943 -0.043 17968
1437 1 5 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.480 0.650 17968
1438 1 5 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.410 -0.480 17968
1439 1 5 . 1 1 28 28 ILE H H 26 7.690 7.690 7.635 0.055 17968
1440 1 5 . 1 1 29 29 ILE N N 27 130.910 130.910 129.261 1.649 17968
1441 1 5 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.197 0.163 17968
1442 1 5 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.752 -0.922 17968
1443 1 5 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.236 0.494 17968
1444 1 5 . 1 1 29 29 ILE H H 27 8.230 8.230 8.263 -0.033 17968
1445 1 5 . 1 1 30 30 LEU N N 28 129.310 129.310 128.614 0.696 17968
1446 1 5 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.568 0.082 17968
1447 1 5 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.751 -1.221 17968
1448 1 5 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.070 2.260 17968
1449 1 5 . 1 1 30 30 LEU H H 28 8.450 8.450 8.550 -0.100 17968
1450 1 5 . 1 1 31 31 GLU N N 29 121.810 121.810 119.769 2.041 17968
1451 1 5 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.890 -0.230 17968
1452 1 5 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.431 -0.701 17968
1453 1 5 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.809 0.120 17968
1454 1 5 . 1 1 31 31 GLU H H 29 8.820 8.820 8.620 0.200 17968
1455 1 5 . 1 1 32 32 CYS N N 30 125.510 125.510 122.144 3.366 17968
1456 1 5 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.984 -0.954 17968
1457 1 5 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.638 -1.408 17968
1458 1 5 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.873 3.957 17968
1459 1 5 . 1 1 32 32 CYS H H 30 8.240 8.240 8.939 -0.699 17968
1460 1 5 . 1 1 33 33 VAL N N 31 132.310 132.310 127.187 5.123 17968
1461 1 5 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.041 0.039 17968
1462 1 5 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.803 -0.473 17968
1463 1 5 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.834 -0.204 17968
1464 1 5 . 1 1 33 33 VAL H H 31 8.880 8.880 8.475 0.405 17968
1465 1 5 . 1 1 34 34 TYR N N 32 124.210 124.210 118.681 5.529 17968
1466 1 5 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.525 -0.075 17968
1467 1 5 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.401 -0.371 17968
1468 1 5 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.564 1.466 17968
1469 1 5 . 1 1 34 34 TYR H H 32 8.620 8.620 7.602 1.018 17968
1470 1 5 . 1 1 35 35 CYS N N 33 119.810 119.810 116.359 3.451 17968
1471 1 5 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.375 0.425 17968
1472 1 5 . 1 1 35 35 CYS CA C 33 59.330 59.330 60.039 -0.709 17968
1473 1 5 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.003 5.226 17968
1474 1 5 . 1 1 35 35 CYS H H 33 8.090 8.090 7.956 0.134 17968
1475 1 5 . 1 1 36 36 LYS N N 34 119.810 119.810 114.646 5.164 17968
1476 1 5 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.164 -0.004 17968
1477 1 5 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.292 0.538 17968
1478 1 5 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.786 -0.556 17968
1479 1 5 . 1 1 36 36 LYS H H 34 7.870 7.870 7.955 -0.085 17968
1480 1 5 . 1 1 37 37 GLN N N 35 120.610 120.610 115.461 5.149 17968
1481 1 5 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.506 -0.136 17968
1482 1 5 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.813 0.617 17968
1483 1 5 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.637 0.093 17968
1484 1 5 . 1 1 37 37 GLN H H 35 8.250 8.250 7.877 0.373 17968
1485 1 5 . 1 1 38 38 GLN N N 36 123.610 123.610 120.575 3.035 17968
1486 1 5 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.101 0.259 17968
1487 1 5 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.325 0.505 17968
1488 1 5 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.216 0.214 17968
1489 1 5 . 1 1 38 38 GLN H H 36 8.630 8.630 8.487 0.143 17968
1490 1 5 . 1 1 39 39 LEU N N 37 131.410 131.410 124.896 6.514 17968
1491 1 5 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.388 -0.288 17968
1492 1 5 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.914 2.316 17968
1493 1 5 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.721 -0.591 17968
1494 1 5 . 1 1 39 39 LEU H H 37 8.830 8.830 8.432 0.398 17968
1495 1 5 . 1 1 40 40 LEU N N 38 126.410 126.410 123.330 3.080 17968
1496 1 5 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.484 -0.194 17968
1497 1 5 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.959 0.371 17968
1498 1 5 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.833 0.097 17968
1499 1 5 . 1 1 40 40 LEU H H 38 9.780 9.780 8.049 1.731 17968
1500 1 5 . 1 1 41 41 ARG N N 39 126.610 126.610 120.605 6.005 17968
1501 1 5 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.854 -0.404 17968
1502 1 5 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.007 -1.077 17968
1503 1 5 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.868 -2.838 17968
1504 1 5 . 1 1 41 41 ARG H H 39 8.880 8.880 8.757 0.123 17968
1505 1 5 . 1 1 42 42 ARG N N 40 116.410 116.410 117.304 -0.894 17968
1506 1 5 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.051 -0.051 17968
1507 1 5 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.588 -0.058 17968
1508 1 5 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.216 3.614 17968
1509 1 5 . 1 1 42 42 ARG H H 40 8.590 8.590 8.300 0.290 17968
1510 1 5 . 1 1 43 43 GLU N N 41 117.710 117.710 120.134 -2.424 17968
1511 1 5 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.247 0.013 17968
1512 1 5 . 1 1 43 43 GLU CA C 41 58.930 58.930 59.241 -0.311 17968
1513 1 5 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.112 1.418 17968
1514 1 5 . 1 1 43 43 GLU H H 41 6.800 6.800 7.733 -0.933 17968
1515 1 5 . 1 1 44 44 VAL N N 42 124.710 124.710 120.252 4.458 17968
1516 1 5 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.692 -0.512 17968
1517 1 5 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.517 1.013 17968
1518 1 5 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.638 -0.308 17968
1519 1 5 . 1 1 44 44 VAL H H 42 7.760 7.760 7.819 -0.059 17968
1520 1 5 . 1 1 45 45 TYR N N 43 118.310 118.310 118.682 -0.372 17968
1521 1 5 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.226 -0.036 17968
1522 1 5 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.385 0.745 17968
1523 1 5 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.373 1.357 17968
1524 1 5 . 1 1 45 45 TYR H H 43 7.600 7.600 7.487 0.113 17968
1525 1 5 . 1 1 46 46 ASP N N 44 120.910 120.910 119.772 1.138 17968
1526 1 5 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.405 0.305 17968
1527 1 5 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.938 1.092 17968
1528 1 5 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.681 0.149 17968
1529 1 5 . 1 1 46 46 ASP H H 44 8.660 8.660 7.766 0.894 17968
1530 1 5 . 1 1 47 47 PHE N N 45 125.310 125.310 119.964 5.346 17968
1531 1 5 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.083 -0.153 17968
1532 1 5 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.283 1.347 17968
1533 1 5 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.167 -0.137 17968
1534 1 5 . 1 1 47 47 PHE H H 45 8.250 8.250 8.319 -0.069 17968
1535 1 5 . 1 1 48 48 ALA N N 46 119.710 119.710 120.412 -0.702 17968
1536 1 5 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.152 0.348 17968
1537 1 5 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.764 0.366 17968
1538 1 5 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.709 0.021 17968
1539 1 5 . 1 1 48 48 ALA H H 46 7.790 7.790 7.530 0.260 17968
1540 1 5 . 1 1 49 49 PHE N N 47 123.210 123.210 118.167 5.043 17968
1541 1 5 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.354 0.196 17968
1542 1 5 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.999 0.531 17968
1543 1 5 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.885 -0.855 17968
1544 1 5 . 1 1 49 49 PHE H H 47 9.040 9.040 7.620 1.420 17968
1545 1 5 . 1 1 50 50 ARG N N 48 119.810 119.810 119.305 0.505 17968
1546 1 5 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.412 -0.362 17968
1547 1 5 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.516 1.615 17968
1548 1 5 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.927 0.103 17968
1549 1 5 . 1 1 50 50 ARG H H 48 8.100 8.100 7.460 0.640 17968
1550 1 5 . 1 1 51 51 ASP N N 49 120.910 120.910 118.339 2.571 17968
1551 1 5 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.564 -0.114 17968
1552 1 5 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.335 1.195 17968
1553 1 5 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.283 -0.353 17968
1554 1 5 . 1 1 51 51 ASP H H 49 8.010 8.010 8.378 -0.368 17968
1555 1 5 . 1 1 52 52 LEU N N 50 118.510 118.510 120.385 -1.875 17968
1556 1 5 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.254 -0.084 17968
1557 1 5 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.511 -1.281 17968
1558 1 5 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.094 -1.864 17968
1559 1 5 . 1 1 52 52 LEU H H 50 6.720 6.720 7.769 -1.049 17968
1560 1 5 . 1 1 53 53 CYS N N 51 117.410 117.410 119.542 -2.132 17968
1561 1 5 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.839 0.071 17968
1562 1 5 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.528 2.202 17968
1563 1 5 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.269 -1.539 17968
1564 1 5 . 1 1 53 53 CYS H H 51 8.030 8.030 8.091 -0.061 17968
1565 1 5 . 1 1 54 54 ILE N N 52 125.110 125.110 122.742 2.368 17968
1566 1 5 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.250 -0.260 17968
1567 1 5 . 1 1 54 54 ILE CA C 52 59.930 59.930 62.054 -2.124 17968
1568 1 5 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.178 -0.448 17968
1569 1 5 . 1 1 54 54 ILE H H 52 8.450 8.450 8.384 0.066 17968
1570 1 5 . 1 1 55 55 VAL N N 53 127.010 127.010 124.875 2.135 17968
1571 1 5 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.400 -0.050 17968
1572 1 5 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.269 -0.639 17968
1573 1 5 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.955 2.275 17968
1574 1 5 . 1 1 55 55 VAL H H 53 8.120 8.120 8.122 -0.002 17968
1575 1 5 . 1 1 56 56 TYR N N 54 125.010 125.010 128.654 -3.644 17968
1576 1 5 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.023 0.357 17968
1577 1 5 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.956 -0.526 17968
1578 1 5 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.856 2.174 17968
1579 1 5 . 1 1 56 56 TYR H H 54 8.710 8.710 8.678 0.032 17968
1580 1 5 . 1 1 57 57 ARG N N 55 123.810 123.810 126.348 -2.538 17968
1581 1 5 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.469 0.161 17968
1582 1 5 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.420 -0.090 17968
1583 1 5 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.994 1.836 17968
1584 1 5 . 1 1 57 57 ARG H H 55 8.860 8.860 8.254 0.606 17968
1585 1 5 . 1 1 58 58 ASP N N 56 129.110 129.110 125.891 3.219 17968
1586 1 5 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.332 -0.032 17968
1587 1 5 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.284 -0.554 17968
1588 1 5 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.276 -0.146 17968
1589 1 5 . 1 1 58 58 ASP H H 56 9.630 9.630 8.996 0.633 17968
1590 1 5 . 1 1 59 59 GLY N N 57 104.510 104.510 105.818 -1.308 17968
1591 1 5 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.603 0.027 17968
1592 1 5 . 1 1 59 59 GLY H H 57 8.710 8.710 8.373 0.337 17968
1593 1 5 . 1 1 60 60 ASN N N 58 122.110 122.110 118.723 3.387 17968
1594 1 5 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.243 0.137 17968
1595 1 5 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.179 0.151 17968
1596 1 5 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.771 -1.341 17968
1597 1 5 . 1 1 60 60 ASN H H 58 8.130 8.130 7.898 0.232 17968
1598 1 5 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.611 0.159 17968
1599 1 5 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.577 -0.547 17968
1600 1 5 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.328 3.103 17968
1601 1 5 . 1 1 62 62 TYR N N 60 119.910 119.910 125.047 -5.137 17968
1602 1 5 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.615 -0.265 17968
1603 1 5 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.590 0.540 17968
1604 1 5 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.176 2.254 17968
1605 1 5 . 1 1 62 62 TYR H H 60 8.580 8.580 8.067 0.513 17968
1606 1 5 . 1 1 63 63 ALA N N 61 123.710 123.710 120.552 3.158 17968
1607 1 5 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.391 -0.011 17968
1608 1 5 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.799 -0.469 17968
1609 1 5 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.549 -1.319 17968
1610 1 5 . 1 1 63 63 ALA H H 61 7.980 7.980 9.027 -1.047 17968
1611 1 5 . 1 1 64 64 VAL N N 62 120.610 120.610 118.890 1.720 17968
1612 1 5 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.294 1.186 17968
1613 1 5 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.905 0.425 17968
1614 1 5 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.061 3.169 17968
1615 1 5 . 1 1 64 64 VAL H H 62 6.330 6.330 7.757 -1.427 17968
1616 1 5 . 1 1 65 65 CYS N N 63 130.310 130.310 124.664 5.646 17968
1617 1 5 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.532 0.028 17968
1618 1 5 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.886 0.544 17968
1619 1 5 . 1 1 65 65 CYS CB C 63 31.030 31.030 27.975 3.055 17968
1620 1 5 . 1 1 65 65 CYS H H 63 9.420 9.420 8.742 0.678 17968
1621 1 5 . 1 1 66 66 ASP N N 64 121.110 121.110 121.369 -0.259 17968
1622 1 5 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.286 0.124 17968
1623 1 5 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.122 0.308 17968
1624 1 5 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.734 1.796 17968
1625 1 5 . 1 1 66 66 ASP H H 64 9.040 9.040 8.849 0.191 17968
1626 1 5 . 1 1 67 67 LYS N N 65 121.910 121.910 118.239 3.671 17968
1627 1 5 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.064 -0.074 17968
1628 1 5 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.501 0.629 17968
1629 1 5 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.336 0.494 17968
1630 1 5 . 1 1 67 67 LYS H H 65 8.330 8.330 8.531 -0.201 17968
1631 1 5 . 1 1 68 68 CYS N N 66 125.510 125.510 117.645 7.865 17968
1632 1 5 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.745 -0.635 17968
1633 1 5 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.063 2.667 17968
1634 1 5 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.478 4.152 17968
1635 1 5 . 1 1 68 68 CYS H H 66 8.690 8.690 8.133 0.557 17968
1636 1 5 . 1 1 69 69 LEU N N 67 125.110 125.110 121.342 3.768 17968
1637 1 5 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.099 -0.069 17968
1638 1 5 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.018 0.612 17968
1639 1 5 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.013 0.217 17968
1640 1 5 . 1 1 69 69 LEU H H 67 8.460 8.460 8.528 -0.068 17968
1641 1 5 . 1 1 70 70 LYS N N 68 119.210 119.210 117.569 1.641 17968
1642 1 5 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.127 -0.147 17968
1643 1 5 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.392 0.638 17968
1644 1 5 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.190 0.040 17968
1645 1 5 . 1 1 70 70 LYS H H 68 7.830 7.830 7.702 0.128 17968
1646 1 5 . 1 1 71 71 PHE N N 69 121.710 121.710 117.977 3.733 17968
1647 1 5 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.357 -0.087 17968
1648 1 5 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.902 0.228 17968
1649 1 5 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.207 0.223 17968
1650 1 5 . 1 1 71 71 PHE H H 69 7.810 7.810 7.538 0.272 17968
1651 1 6 . 1 1 4 4 PHE N N 2 122.310 122.310 122.934 -0.624 17968
1652 1 6 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.899 -0.279 17968
1653 1 6 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.830 -1.500 17968
1654 1 6 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.621 -2.191 17968
1655 1 6 . 1 1 4 4 PHE H H 2 8.370 8.370 8.618 -0.248 17968
1656 1 6 . 1 1 5 5 GLN N N 3 123.510 123.510 122.994 0.516 17968
1657 1 6 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.480 -0.290 17968
1658 1 6 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.817 2.213 17968
1659 1 6 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.237 -0.307 17968
1660 1 6 . 1 1 5 5 GLN H H 3 8.250 8.250 7.789 0.461 17968
1661 1 6 . 1 1 6 6 ASP N N 4 125.010 125.010 120.127 4.883 17968
1662 1 6 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.582 0.258 17968
1663 1 6 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.249 -1.219 17968
1664 1 6 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.349 0.381 17968
1665 1 6 . 1 1 6 6 ASP H H 4 8.410 8.410 8.333 0.077 17968
1666 1 6 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.308 -0.188 17968
1667 1 6 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.517 0.613 17968
1668 1 6 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.447 -0.117 17968
1669 1 6 . 1 1 8 8 GLN N N 6 119.710 119.710 118.583 1.127 17968
1670 1 6 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.128 0.022 17968
1671 1 6 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.249 0.381 17968
1672 1 6 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.636 1.694 17968
1673 1 6 . 1 1 8 8 GLN H H 6 8.430 8.430 7.518 0.912 17968
1674 1 6 . 1 1 9 9 GLU N N 7 122.110 122.110 124.563 -2.453 17968
1675 1 6 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.278 -0.098 17968
1676 1 6 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.439 0.691 17968
1677 1 6 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.622 -0.092 17968
1678 1 6 . 1 1 9 9 GLU H H 7 7.940 7.940 9.361 -1.421 17968
1679 1 6 . 1 1 10 10 ARG N N 8 123.410 123.410 116.409 7.001 17968
1680 1 6 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.274 0.136 17968
1681 1 6 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.743 -1.613 17968
1682 1 6 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.449 1.881 17968
1683 1 6 . 1 1 10 10 ARG H H 8 7.670 7.670 8.698 -1.028 17968
1684 1 6 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.657 -0.317 17968
1685 1 6 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.310 1.220 17968
1686 1 6 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.718 -0.088 17968
1687 1 6 . 1 1 12 12 ARG N N 10 123.810 123.810 118.665 5.145 17968
1688 1 6 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.700 -0.040 17968
1689 1 6 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.898 0.932 17968
1690 1 6 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.785 1.745 17968
1691 1 6 . 1 1 12 12 ARG H H 10 8.700 8.700 8.806 -0.106 17968
1692 1 6 . 1 1 13 13 LYS N N 11 118.310 118.310 120.273 -1.963 17968
1693 1 6 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.747 0.303 17968
1694 1 6 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.541 -0.311 17968
1695 1 6 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.161 2.469 17968
1696 1 6 . 1 1 13 13 LYS H H 11 7.810 7.810 7.759 0.051 17968
1697 1 6 . 1 1 14 14 LEU N N 12 124.810 124.810 128.746 -3.936 17968
1698 1 6 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.242 -0.092 17968
1699 1 6 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.851 -0.221 17968
1700 1 6 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.903 0.627 17968
1701 1 6 . 1 1 14 14 LEU H H 12 10.210 10.210 9.256 0.954 17968
1702 1 6 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.080 0.090 17968
1703 1 6 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.856 1.474 17968
1704 1 6 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.998 -0.468 17968
1705 1 6 . 1 1 16 16 GLN N N 14 117.710 117.710 116.828 0.882 17968
1706 1 6 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.167 -0.007 17968
1707 1 6 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.324 0.806 17968
1708 1 6 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.640 -0.010 17968
1709 1 6 . 1 1 16 16 GLN H H 14 7.100 7.100 7.564 -0.464 17968
1710 1 6 . 1 1 17 17 LEU N N 15 124.610 124.610 122.348 2.262 17968
1711 1 6 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.167 -0.167 17968
1712 1 6 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.942 0.688 17968
1713 1 6 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.704 0.326 17968
1714 1 6 . 1 1 17 17 LEU H H 15 8.020 8.020 7.978 0.042 17968
1715 1 6 . 1 1 18 18 CYS N N 16 117.210 117.210 116.643 0.567 17968
1716 1 6 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.095 -0.365 17968
1717 1 6 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.560 1.270 17968
1718 1 6 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.344 -0.114 17968
1719 1 6 . 1 1 18 18 CYS H H 16 8.410 8.410 8.376 0.034 17968
1720 1 6 . 1 1 19 19 THR N N 17 117.710 117.710 115.770 1.940 17968
1721 1 6 . 1 1 19 19 THR HA H 17 3.990 3.990 4.129 -0.139 17968
1722 1 6 . 1 1 19 19 THR CA C 17 66.830 66.830 66.453 0.377 17968
1723 1 6 . 1 1 19 19 THR CB C 17 68.830 68.830 68.331 0.499 17968
1724 1 6 . 1 1 19 19 THR H H 17 7.670 7.670 7.609 0.061 17968
1725 1 6 . 1 1 20 20 GLU N N 18 125.410 125.410 121.111 4.299 17968
1726 1 6 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.153 -0.093 17968
1727 1 6 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.142 0.689 17968
1728 1 6 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.626 0.004 17968
1729 1 6 . 1 1 20 20 GLU H H 18 7.980 7.980 7.740 0.240 17968
1730 1 6 . 1 1 21 21 LEU N N 19 118.810 118.810 118.659 0.151 17968
1731 1 6 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.349 -0.059 17968
1732 1 6 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.887 -0.957 17968
1733 1 6 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.650 -0.420 17968
1734 1 6 . 1 1 21 21 LEU H H 19 7.990 7.990 8.005 -0.015 17968
1735 1 6 . 1 1 22 22 GLN N N 20 118.310 118.310 116.490 1.820 17968
1736 1 6 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.018 -0.078 17968
1737 1 6 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.132 -0.502 17968
1738 1 6 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.397 -0.267 17968
1739 1 6 . 1 1 22 22 GLN H H 20 7.850 7.850 7.568 0.282 17968
1740 1 6 . 1 1 23 23 THR N N 21 115.810 115.810 113.409 2.401 17968
1741 1 6 . 1 1 23 23 THR HA H 21 4.920 4.920 4.782 0.138 17968
1742 1 6 . 1 1 23 23 THR CA C 21 58.730 58.730 61.005 -2.275 17968
1743 1 6 . 1 1 23 23 THR CB C 21 70.330 70.330 70.591 -0.261 17968
1744 1 6 . 1 1 23 23 THR H H 21 8.210 8.210 8.521 -0.311 17968
1745 1 6 . 1 1 24 24 THR N N 22 112.810 112.810 112.752 0.058 17968
1746 1 6 . 1 1 24 24 THR HA H 22 4.860 4.860 4.774 0.086 17968
1747 1 6 . 1 1 24 24 THR CA C 22 59.830 59.830 59.680 0.150 17968
1748 1 6 . 1 1 24 24 THR CB C 22 74.030 74.030 70.757 3.273 17968
1749 1 6 . 1 1 24 24 THR H H 22 8.620 8.620 8.038 0.582 17968
1750 1 6 . 1 1 25 25 ILE N N 23 124.310 124.310 118.683 5.627 17968
1751 1 6 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.768 -0.108 17968
1752 1 6 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.157 -0.427 17968
1753 1 6 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.812 0.418 17968
1754 1 6 . 1 1 25 25 ILE H H 23 9.020 9.020 8.360 0.660 17968
1755 1 6 . 1 1 26 26 HIS N N 24 119.210 119.210 112.790 6.420 17968
1756 1 6 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.690 -0.310 17968
1757 1 6 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.266 0.165 17968
1758 1 6 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.509 1.221 17968
1759 1 6 . 1 1 26 26 HIS H H 24 6.870 6.870 7.442 -0.572 17968
1760 1 6 . 1 1 27 27 ASP N N 25 116.510 116.510 119.073 -2.563 17968
1761 1 6 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.681 0.069 17968
1762 1 6 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.386 0.044 17968
1763 1 6 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.128 1.202 17968
1764 1 6 . 1 1 27 27 ASP H H 25 7.220 7.220 7.621 -0.401 17968
1765 1 6 . 1 1 28 28 ILE N N 26 123.310 123.310 122.576 0.734 17968
1766 1 6 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.955 -0.055 17968
1767 1 6 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.536 0.594 17968
1768 1 6 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.440 -0.510 17968
1769 1 6 . 1 1 28 28 ILE H H 26 7.690 7.690 7.709 -0.019 17968
1770 1 6 . 1 1 29 29 ILE N N 27 130.910 130.910 129.699 1.211 17968
1771 1 6 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.218 0.142 17968
1772 1 6 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.004 -0.174 17968
1773 1 6 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.267 0.463 17968
1774 1 6 . 1 1 29 29 ILE H H 27 8.230 8.230 8.152 0.078 17968
1775 1 6 . 1 1 30 30 LEU N N 28 129.310 129.310 128.356 0.954 17968
1776 1 6 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.458 0.192 17968
1777 1 6 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.670 -1.140 17968
1778 1 6 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.936 3.394 17968
1779 1 6 . 1 1 30 30 LEU H H 28 8.450 8.450 8.418 0.032 17968
1780 1 6 . 1 1 31 31 GLU N N 29 121.810 121.810 120.675 1.135 17968
1781 1 6 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.936 -0.276 17968
1782 1 6 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.953 -0.223 17968
1783 1 6 . 1 1 31 31 GLU CB C 29 32.930 32.930 33.067 -0.137 17968
1784 1 6 . 1 1 31 31 GLU H H 29 8.820 8.820 8.674 0.146 17968
1785 1 6 . 1 1 32 32 CYS N N 30 125.510 125.510 124.075 1.435 17968
1786 1 6 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.979 -0.949 17968
1787 1 6 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.271 -1.041 17968
1788 1 6 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.633 4.197 17968
1789 1 6 . 1 1 32 32 CYS H H 30 8.240 8.240 8.860 -0.620 17968
1790 1 6 . 1 1 33 33 VAL N N 31 132.310 132.310 128.042 4.268 17968
1791 1 6 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.442 -0.362 17968
1792 1 6 . 1 1 33 33 VAL CA C 31 64.330 64.330 63.988 0.342 17968
1793 1 6 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.094 -0.464 17968
1794 1 6 . 1 1 33 33 VAL H H 31 8.880 8.880 8.279 0.601 17968
1795 1 6 . 1 1 34 34 TYR N N 32 124.210 124.210 119.348 4.862 17968
1796 1 6 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.393 0.057 17968
1797 1 6 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.985 -0.955 17968
1798 1 6 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.268 1.762 17968
1799 1 6 . 1 1 34 34 TYR H H 32 8.620 8.620 7.517 1.103 17968
1800 1 6 . 1 1 35 35 CYS N N 33 119.810 119.810 112.588 7.222 17968
1801 1 6 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.447 0.353 17968
1802 1 6 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.934 1.396 17968
1803 1 6 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.064 5.166 17968
1804 1 6 . 1 1 35 35 CYS H H 33 8.090 8.090 7.711 0.379 17968
1805 1 6 . 1 1 36 36 LYS N N 34 119.810 119.810 118.712 1.098 17968
1806 1 6 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.019 0.141 17968
1807 1 6 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.854 0.976 17968
1808 1 6 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.533 -1.303 17968
1809 1 6 . 1 1 36 36 LYS H H 34 7.870 7.870 8.172 -0.302 17968
1810 1 6 . 1 1 37 37 GLN N N 35 120.610 120.610 117.568 3.042 17968
1811 1 6 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.535 -0.165 17968
1812 1 6 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.614 0.817 17968
1813 1 6 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.344 -1.614 17968
1814 1 6 . 1 1 37 37 GLN H H 35 8.250 8.250 8.052 0.198 17968
1815 1 6 . 1 1 38 38 GLN N N 36 123.610 123.610 123.040 0.570 17968
1816 1 6 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.384 -0.024 17968
1817 1 6 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.478 0.352 17968
1818 1 6 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.961 0.469 17968
1819 1 6 . 1 1 38 38 GLN H H 36 8.630 8.630 8.581 0.049 17968
1820 1 6 . 1 1 39 39 LEU N N 37 131.410 131.410 127.314 4.096 17968
1821 1 6 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.358 -0.258 17968
1822 1 6 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.648 2.582 17968
1823 1 6 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.616 -0.486 17968
1824 1 6 . 1 1 39 39 LEU H H 37 8.830 8.830 8.885 -0.055 17968
1825 1 6 . 1 1 40 40 LEU N N 38 126.410 126.410 122.249 4.161 17968
1826 1 6 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.378 -0.088 17968
1827 1 6 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.142 0.188 17968
1828 1 6 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.947 -1.016 17968
1829 1 6 . 1 1 40 40 LEU H H 38 9.780 9.780 8.516 1.264 17968
1830 1 6 . 1 1 41 41 ARG N N 39 126.610 126.610 122.180 4.430 17968
1831 1 6 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.663 -0.213 17968
1832 1 6 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.010 -1.080 17968
1833 1 6 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.357 -2.327 17968
1834 1 6 . 1 1 41 41 ARG H H 39 8.880 8.880 8.673 0.207 17968
1835 1 6 . 1 1 42 42 ARG N N 40 116.410 116.410 119.643 -3.233 17968
1836 1 6 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.029 -0.029 17968
1837 1 6 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.288 -0.758 17968
1838 1 6 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.857 2.974 17968
1839 1 6 . 1 1 42 42 ARG H H 40 8.590 8.590 8.491 0.099 17968
1840 1 6 . 1 1 43 43 GLU N N 41 117.710 117.710 118.075 -0.365 17968
1841 1 6 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.271 -0.011 17968
1842 1 6 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.222 0.708 17968
1843 1 6 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.449 1.081 17968
1844 1 6 . 1 1 43 43 GLU H H 41 6.800 6.800 7.817 -1.017 17968
1845 1 6 . 1 1 44 44 VAL N N 42 124.710 124.710 120.955 3.755 17968
1846 1 6 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.618 -0.438 17968
1847 1 6 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.605 0.925 17968
1848 1 6 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.488 -0.158 17968
1849 1 6 . 1 1 44 44 VAL H H 42 7.760 7.760 7.894 -0.134 17968
1850 1 6 . 1 1 45 45 TYR N N 43 118.310 118.310 117.985 0.325 17968
1851 1 6 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.303 -0.113 17968
1852 1 6 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.154 -0.024 17968
1853 1 6 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.320 1.410 17968
1854 1 6 . 1 1 45 45 TYR H H 43 7.600 7.600 8.050 -0.450 17968
1855 1 6 . 1 1 46 46 ASP N N 44 120.910 120.910 120.199 0.711 17968
1856 1 6 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.507 0.203 17968
1857 1 6 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.806 1.224 17968
1858 1 6 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.563 0.267 17968
1859 1 6 . 1 1 46 46 ASP H H 44 8.660 8.660 7.806 0.854 17968
1860 1 6 . 1 1 47 47 PHE N N 45 125.310 125.310 119.987 5.323 17968
1861 1 6 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.211 -0.281 17968
1862 1 6 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.402 1.228 17968
1863 1 6 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.350 -0.320 17968
1864 1 6 . 1 1 47 47 PHE H H 45 8.250 8.250 7.853 0.397 17968
1865 1 6 . 1 1 48 48 ALA N N 46 119.710 119.710 120.869 -1.159 17968
1866 1 6 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.296 0.204 17968
1867 1 6 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.627 0.503 17968
1868 1 6 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.750 -0.020 17968
1869 1 6 . 1 1 48 48 ALA H H 46 7.790 7.790 7.496 0.294 17968
1870 1 6 . 1 1 49 49 PHE N N 47 123.210 123.210 117.915 5.295 17968
1871 1 6 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.349 0.201 17968
1872 1 6 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.625 -0.095 17968
1873 1 6 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.690 -0.660 17968
1874 1 6 . 1 1 49 49 PHE H H 47 9.040 9.040 7.984 1.056 17968
1875 1 6 . 1 1 50 50 ARG N N 48 119.810 119.810 118.229 1.581 17968
1876 1 6 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.529 -0.479 17968
1877 1 6 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.082 3.048 17968
1878 1 6 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.976 -0.946 17968
1879 1 6 . 1 1 50 50 ARG H H 48 8.100 8.100 7.519 0.581 17968
1880 1 6 . 1 1 51 51 ASP N N 49 120.910 120.910 121.967 -1.057 17968
1881 1 6 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.601 -0.151 17968
1882 1 6 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.245 0.285 17968
1883 1 6 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.795 0.135 17968
1884 1 6 . 1 1 51 51 ASP H H 49 8.010 8.010 8.639 -0.629 17968
1885 1 6 . 1 1 52 52 LEU N N 50 118.510 118.510 124.312 -5.802 17968
1886 1 6 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.677 -0.507 17968
1887 1 6 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.389 0.841 17968
1888 1 6 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.363 -4.133 17968
1889 1 6 . 1 1 52 52 LEU H H 50 6.720 6.720 7.606 -0.886 17968
1890 1 6 . 1 1 53 53 CYS N N 51 117.410 117.410 117.707 -0.297 17968
1891 1 6 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.509 -0.599 17968
1892 1 6 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.786 0.944 17968
1893 1 6 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.913 -2.183 17968
1894 1 6 . 1 1 53 53 CYS H H 51 8.030 8.030 8.394 -0.364 17968
1895 1 6 . 1 1 54 54 ILE N N 52 125.110 125.110 123.852 1.258 17968
1896 1 6 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.211 -0.221 17968
1897 1 6 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.752 -1.823 17968
1898 1 6 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.511 -0.781 17968
1899 1 6 . 1 1 54 54 ILE H H 52 8.450 8.450 8.416 0.034 17968
1900 1 6 . 1 1 55 55 VAL N N 53 127.010 127.010 121.946 5.064 17968
1901 1 6 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.525 -0.175 17968
1902 1 6 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.688 -0.058 17968
1903 1 6 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.389 0.841 17968
1904 1 6 . 1 1 55 55 VAL H H 53 8.120 8.120 8.046 0.074 17968
1905 1 6 . 1 1 56 56 TYR N N 54 125.010 125.010 124.591 0.419 17968
1906 1 6 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.122 0.258 17968
1907 1 6 . 1 1 56 56 TYR CA C 54 57.430 57.430 56.822 0.608 17968
1908 1 6 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.520 1.510 17968
1909 1 6 . 1 1 56 56 TYR H H 54 8.710 8.710 8.651 0.059 17968
1910 1 6 . 1 1 57 57 ARG N N 55 123.810 123.810 126.207 -2.397 17968
1911 1 6 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.388 0.242 17968
1912 1 6 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.843 -0.513 17968
1913 1 6 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.352 2.478 17968
1914 1 6 . 1 1 57 57 ARG H H 55 8.860 8.860 8.354 0.506 17968
1915 1 6 . 1 1 58 58 ASP N N 56 129.110 129.110 126.068 3.042 17968
1916 1 6 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.319 -0.019 17968
1917 1 6 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.124 -0.394 17968
1918 1 6 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.173 -0.043 17968
1919 1 6 . 1 1 58 58 ASP H H 56 9.630 9.630 8.833 0.797 17968
1920 1 6 . 1 1 59 59 GLY N N 57 104.510 104.510 106.644 -2.134 17968
1921 1 6 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.488 0.142 17968
1922 1 6 . 1 1 59 59 GLY H H 57 8.710 8.710 8.353 0.357 17968
1923 1 6 . 1 1 60 60 ASN N N 58 122.110 122.110 118.211 3.899 17968
1924 1 6 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.115 0.265 17968
1925 1 6 . 1 1 60 60 ASN CA C 58 50.330 50.330 49.747 0.583 17968
1926 1 6 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.325 -0.895 17968
1927 1 6 . 1 1 60 60 ASN H H 58 8.130 8.130 7.630 0.500 17968
1928 1 6 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.174 0.596 17968
1929 1 6 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.485 -0.455 17968
1930 1 6 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.815 2.615 17968
1931 1 6 . 1 1 62 62 TYR N N 60 119.910 119.910 123.799 -3.889 17968
1932 1 6 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.688 -0.338 17968
1933 1 6 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.316 1.814 17968
1934 1 6 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.591 0.839 17968
1935 1 6 . 1 1 62 62 TYR H H 60 8.580 8.580 8.257 0.323 17968
1936 1 6 . 1 1 63 63 ALA N N 61 123.710 123.710 120.995 2.715 17968
1937 1 6 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.471 -0.091 17968
1938 1 6 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.778 -0.448 17968
1939 1 6 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.310 -1.080 17968
1940 1 6 . 1 1 63 63 ALA H H 61 7.980 7.980 8.920 -0.940 17968
1941 1 6 . 1 1 64 64 VAL N N 62 120.610 120.610 117.349 3.261 17968
1942 1 6 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.507 0.973 17968
1943 1 6 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.777 0.553 17968
1944 1 6 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.005 2.225 17968
1945 1 6 . 1 1 64 64 VAL H H 62 6.330 6.330 8.297 -1.967 17968
1946 1 6 . 1 1 65 65 CYS N N 63 130.310 130.310 123.746 6.564 17968
1947 1 6 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.626 -0.066 17968
1948 1 6 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.633 0.797 17968
1949 1 6 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.362 1.668 17968
1950 1 6 . 1 1 65 65 CYS H H 63 9.420 9.420 8.606 0.814 17968
1951 1 6 . 1 1 66 66 ASP N N 64 121.110 121.110 121.028 0.082 17968
1952 1 6 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.309 0.101 17968
1953 1 6 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.714 0.716 17968
1954 1 6 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.112 1.418 17968
1955 1 6 . 1 1 66 66 ASP H H 64 9.040 9.040 9.136 -0.096 17968
1956 1 6 . 1 1 67 67 LYS N N 65 121.910 121.910 118.811 3.099 17968
1957 1 6 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.307 -0.317 17968
1958 1 6 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.470 0.660 17968
1959 1 6 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.433 0.397 17968
1960 1 6 . 1 1 67 67 LYS H H 65 8.330 8.330 8.310 0.020 17968
1961 1 6 . 1 1 68 68 CYS N N 66 125.510 125.510 119.031 6.479 17968
1962 1 6 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.437 -0.327 17968
1963 1 6 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.880 2.850 17968
1964 1 6 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.714 4.916 17968
1965 1 6 . 1 1 68 68 CYS H H 66 8.690 8.690 7.855 0.835 17968
1966 1 6 . 1 1 69 69 LEU N N 67 125.110 125.110 121.941 3.169 17968
1967 1 6 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.140 -0.110 17968
1968 1 6 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.276 0.354 17968
1969 1 6 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.101 0.129 17968
1970 1 6 . 1 1 69 69 LEU H H 67 8.460 8.460 8.422 0.038 17968
1971 1 6 . 1 1 70 70 LYS N N 68 119.210 119.210 117.309 1.901 17968
1972 1 6 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.198 -0.218 17968
1973 1 6 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.504 1.526 17968
1974 1 6 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.218 0.012 17968
1975 1 6 . 1 1 70 70 LYS H H 68 7.830 7.830 7.658 0.172 17968
1976 1 6 . 1 1 71 71 PHE N N 69 121.710 121.710 119.221 2.489 17968
1977 1 6 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.236 0.034 17968
1978 1 6 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.674 -0.544 17968
1979 1 6 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.580 -0.150 17968
1980 1 6 . 1 1 71 71 PHE H H 69 7.810 7.810 7.839 -0.029 17968
1981 1 7 . 1 1 4 4 PHE N N 2 122.310 122.310 124.457 -2.147 17968
1982 1 7 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.896 -0.276 17968
1983 1 7 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.581 -0.251 17968
1984 1 7 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.203 -0.773 17968
1985 1 7 . 1 1 4 4 PHE H H 2 8.370 8.370 9.148 -0.778 17968
1986 1 7 . 1 1 5 5 GLN N N 3 123.510 123.510 123.353 0.157 17968
1987 1 7 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.485 -0.295 17968
1988 1 7 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.464 2.566 17968
1989 1 7 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.902 0.028 17968
1990 1 7 . 1 1 5 5 GLN H H 3 8.250 8.250 7.907 0.343 17968
1991 1 7 . 1 1 6 6 ASP N N 4 125.010 125.010 120.119 4.891 17968
1992 1 7 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.406 0.434 17968
1993 1 7 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.757 -1.727 17968
1994 1 7 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.189 0.541 17968
1995 1 7 . 1 1 6 6 ASP H H 4 8.410 8.410 8.376 0.034 17968
1996 1 7 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.413 -0.293 17968
1997 1 7 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.999 1.131 17968
1998 1 7 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.128 0.202 17968
1999 1 7 . 1 1 8 8 GLN N N 6 119.710 119.710 118.527 1.183 17968
2000 1 7 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.210 -0.060 17968
2001 1 7 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.867 0.763 17968
2002 1 7 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.007 1.323 17968
2003 1 7 . 1 1 8 8 GLN H H 6 8.430 8.430 7.386 1.044 17968
2004 1 7 . 1 1 9 9 GLU N N 7 122.110 122.110 124.636 -2.526 17968
2005 1 7 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.134 0.046 17968
2006 1 7 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.197 -0.067 17968
2007 1 7 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.380 0.150 17968
2008 1 7 . 1 1 9 9 GLU H H 7 7.940 7.940 9.050 -1.110 17968
2009 1 7 . 1 1 10 10 ARG N N 8 123.410 123.410 115.705 7.705 17968
2010 1 7 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.183 0.227 17968
2011 1 7 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.610 -1.480 17968
2012 1 7 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.073 2.257 17968
2013 1 7 . 1 1 10 10 ARG H H 8 7.670 7.670 8.819 -1.149 17968
2014 1 7 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.589 -0.249 17968
2015 1 7 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.871 0.659 17968
2016 1 7 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.587 0.043 17968
2017 1 7 . 1 1 12 12 ARG N N 10 123.810 123.810 118.890 4.920 17968
2018 1 7 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.675 -0.015 17968
2019 1 7 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.977 0.853 17968
2020 1 7 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.871 1.659 17968
2021 1 7 . 1 1 12 12 ARG H H 10 8.700 8.700 8.883 -0.183 17968
2022 1 7 . 1 1 13 13 LYS N N 11 118.310 118.310 119.610 -1.300 17968
2023 1 7 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.863 0.187 17968
2024 1 7 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.630 -0.400 17968
2025 1 7 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.020 1.610 17968
2026 1 7 . 1 1 13 13 LYS H H 11 7.810 7.810 7.763 0.047 17968
2027 1 7 . 1 1 14 14 LEU N N 12 124.810 124.810 128.148 -3.338 17968
2028 1 7 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.181 -0.031 17968
2029 1 7 . 1 1 14 14 LEU CA C 12 59.630 59.630 60.189 -0.559 17968
2030 1 7 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.957 0.573 17968
2031 1 7 . 1 1 14 14 LEU H H 12 10.210 10.210 9.318 0.892 17968
2032 1 7 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.151 0.019 17968
2033 1 7 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.799 1.531 17968
2034 1 7 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.999 -0.469 17968
2035 1 7 . 1 1 16 16 GLN N N 14 117.710 117.710 117.067 0.643 17968
2036 1 7 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.156 0.004 17968
2037 1 7 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.365 0.765 17968
2038 1 7 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.778 -0.148 17968
2039 1 7 . 1 1 16 16 GLN H H 14 7.100 7.100 7.597 -0.497 17968
2040 1 7 . 1 1 17 17 LEU N N 15 124.610 124.610 122.176 2.434 17968
2041 1 7 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.150 -0.150 17968
2042 1 7 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.779 0.851 17968
2043 1 7 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.637 0.393 17968
2044 1 7 . 1 1 17 17 LEU H H 15 8.020 8.020 7.830 0.190 17968
2045 1 7 . 1 1 18 18 CYS N N 16 117.210 117.210 116.342 0.868 17968
2046 1 7 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.049 -0.319 17968
2047 1 7 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.577 1.253 17968
2048 1 7 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.935 0.295 17968
2049 1 7 . 1 1 18 18 CYS H H 16 8.410 8.410 8.340 0.070 17968
2050 1 7 . 1 1 19 19 THR N N 17 117.710 117.710 115.464 2.246 17968
2051 1 7 . 1 1 19 19 THR HA H 17 3.990 3.990 4.141 -0.151 17968
2052 1 7 . 1 1 19 19 THR CA C 17 66.830 66.830 66.653 0.177 17968
2053 1 7 . 1 1 19 19 THR CB C 17 68.830 68.830 68.528 0.302 17968
2054 1 7 . 1 1 19 19 THR H H 17 7.670 7.670 7.637 0.033 17968
2055 1 7 . 1 1 20 20 GLU N N 18 125.410 125.410 120.682 4.728 17968
2056 1 7 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.202 -0.142 17968
2057 1 7 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.058 0.772 17968
2058 1 7 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.693 -0.063 17968
2059 1 7 . 1 1 20 20 GLU H H 18 7.980 7.980 7.541 0.439 17968
2060 1 7 . 1 1 21 21 LEU N N 19 118.810 118.810 117.803 1.007 17968
2061 1 7 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.490 -0.200 17968
2062 1 7 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.981 -0.051 17968
2063 1 7 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.527 -0.297 17968
2064 1 7 . 1 1 21 21 LEU H H 19 7.990 7.990 8.129 -0.139 17968
2065 1 7 . 1 1 22 22 GLN N N 20 118.310 118.310 117.174 1.136 17968
2066 1 7 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.095 -0.155 17968
2067 1 7 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.122 -0.492 17968
2068 1 7 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.360 -0.230 17968
2069 1 7 . 1 1 22 22 GLN H H 20 7.850 7.850 7.633 0.217 17968
2070 1 7 . 1 1 23 23 THR N N 21 115.810 115.810 112.894 2.916 17968
2071 1 7 . 1 1 23 23 THR HA H 21 4.920 4.920 4.649 0.271 17968
2072 1 7 . 1 1 23 23 THR CA C 21 58.730 58.730 60.522 -1.792 17968
2073 1 7 . 1 1 23 23 THR CB C 21 70.330 70.330 70.489 -0.159 17968
2074 1 7 . 1 1 23 23 THR H H 21 8.210 8.210 8.648 -0.438 17968
2075 1 7 . 1 1 24 24 THR N N 22 112.810 112.810 112.636 0.174 17968
2076 1 7 . 1 1 24 24 THR HA H 22 4.860 4.860 4.839 0.021 17968
2077 1 7 . 1 1 24 24 THR CA C 22 59.830 59.830 59.856 -0.026 17968
2078 1 7 . 1 1 24 24 THR CB C 22 74.030 74.030 71.417 2.613 17968
2079 1 7 . 1 1 24 24 THR H H 22 8.620 8.620 7.968 0.652 17968
2080 1 7 . 1 1 25 25 ILE N N 23 124.310 124.310 118.837 5.473 17968
2081 1 7 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.790 -0.130 17968
2082 1 7 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.309 -0.579 17968
2083 1 7 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.778 0.452 17968
2084 1 7 . 1 1 25 25 ILE H H 23 9.020 9.020 8.781 0.239 17968
2085 1 7 . 1 1 26 26 HIS N N 24 119.210 119.210 113.902 5.308 17968
2086 1 7 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.663 -0.283 17968
2087 1 7 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.068 -0.638 17968
2088 1 7 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.326 0.404 17968
2089 1 7 . 1 1 26 26 HIS H H 24 6.870 6.870 8.078 -1.208 17968
2090 1 7 . 1 1 27 27 ASP N N 25 116.510 116.510 117.812 -1.302 17968
2091 1 7 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.676 0.074 17968
2092 1 7 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.187 0.243 17968
2093 1 7 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.237 1.093 17968
2094 1 7 . 1 1 27 27 ASP H H 25 7.220 7.220 7.709 -0.489 17968
2095 1 7 . 1 1 28 28 ILE N N 26 123.310 123.310 122.295 1.015 17968
2096 1 7 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.905 -0.005 17968
2097 1 7 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.702 0.428 17968
2098 1 7 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.350 -0.420 17968
2099 1 7 . 1 1 28 28 ILE H H 26 7.690 7.690 8.019 -0.329 17968
2100 1 7 . 1 1 29 29 ILE N N 27 130.910 130.910 128.817 2.093 17968
2101 1 7 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.220 0.140 17968
2102 1 7 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.224 -0.394 17968
2103 1 7 . 1 1 29 29 ILE CB C 27 37.730 37.730 38.450 -0.720 17968
2104 1 7 . 1 1 29 29 ILE H H 27 8.230 8.230 8.169 0.061 17968
2105 1 7 . 1 1 30 30 LEU N N 28 129.310 129.310 129.124 0.186 17968
2106 1 7 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.604 0.046 17968
2107 1 7 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.187 -0.657 17968
2108 1 7 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.056 2.274 17968
2109 1 7 . 1 1 30 30 LEU H H 28 8.450 8.450 8.657 -0.207 17968
2110 1 7 . 1 1 31 31 GLU N N 29 121.810 121.810 117.976 3.834 17968
2111 1 7 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.219 -0.559 17968
2112 1 7 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.415 0.315 17968
2113 1 7 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.982 0.948 17968
2114 1 7 . 1 1 31 31 GLU H H 29 8.820 8.820 8.304 0.516 17968
2115 1 7 . 1 1 32 32 CYS N N 30 125.510 125.510 121.955 3.555 17968
2116 1 7 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.979 -0.949 17968
2117 1 7 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.527 -1.297 17968
2118 1 7 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.792 4.038 17968
2119 1 7 . 1 1 32 32 CYS H H 30 8.240 8.240 8.789 -0.549 17968
2120 1 7 . 1 1 33 33 VAL N N 31 132.310 132.310 127.738 4.572 17968
2121 1 7 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.133 -0.053 17968
2122 1 7 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.159 -0.829 17968
2123 1 7 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.870 -0.240 17968
2124 1 7 . 1 1 33 33 VAL H H 31 8.880 8.880 8.543 0.337 17968
2125 1 7 . 1 1 34 34 TYR N N 32 124.210 124.210 115.319 8.891 17968
2126 1 7 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.552 -0.102 17968
2127 1 7 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.024 1.006 17968
2128 1 7 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.366 0.664 17968
2129 1 7 . 1 1 34 34 TYR H H 32 8.620 8.620 7.337 1.283 17968
2130 1 7 . 1 1 35 35 CYS N N 33 119.810 119.810 115.525 4.285 17968
2131 1 7 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.361 0.439 17968
2132 1 7 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.769 -0.439 17968
2133 1 7 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.139 5.091 17968
2134 1 7 . 1 1 35 35 CYS H H 33 8.090 8.090 7.820 0.270 17968
2135 1 7 . 1 1 36 36 LYS N N 34 119.810 119.810 116.072 3.738 17968
2136 1 7 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.221 -0.061 17968
2137 1 7 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.331 0.499 17968
2138 1 7 . 1 1 36 36 LYS CB C 34 29.230 29.230 31.360 -2.130 17968
2139 1 7 . 1 1 36 36 LYS H H 34 7.870 7.870 7.712 0.158 17968
2140 1 7 . 1 1 37 37 GLN N N 35 120.610 120.610 116.385 4.225 17968
2141 1 7 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.421 -0.051 17968
2142 1 7 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.196 0.235 17968
2143 1 7 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.610 0.120 17968
2144 1 7 . 1 1 37 37 GLN H H 35 8.250 8.250 7.989 0.261 17968
2145 1 7 . 1 1 38 38 GLN N N 36 123.610 123.610 121.098 2.512 17968
2146 1 7 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.255 0.105 17968
2147 1 7 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.303 0.527 17968
2148 1 7 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.081 0.349 17968
2149 1 7 . 1 1 38 38 GLN H H 36 8.630 8.630 8.540 0.090 17968
2150 1 7 . 1 1 39 39 LEU N N 37 131.410 131.410 127.625 3.785 17968
2151 1 7 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.409 -0.309 17968
2152 1 7 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.338 2.892 17968
2153 1 7 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.116 0.014 17968
2154 1 7 . 1 1 39 39 LEU H H 37 8.830 8.830 8.902 -0.072 17968
2155 1 7 . 1 1 40 40 LEU N N 38 126.410 126.410 123.342 3.068 17968
2156 1 7 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.211 0.079 17968
2157 1 7 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.908 -0.578 17968
2158 1 7 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.407 0.523 17968
2159 1 7 . 1 1 40 40 LEU H H 38 9.780 9.780 8.327 1.453 17968
2160 1 7 . 1 1 41 41 ARG N N 39 126.610 126.610 120.454 6.156 17968
2161 1 7 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.701 -0.251 17968
2162 1 7 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.765 -0.835 17968
2163 1 7 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.597 -2.567 17968
2164 1 7 . 1 1 41 41 ARG H H 39 8.880 8.880 8.721 0.159 17968
2165 1 7 . 1 1 42 42 ARG N N 40 116.410 116.410 120.030 -3.620 17968
2166 1 7 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.174 -0.174 17968
2167 1 7 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.546 -1.016 17968
2168 1 7 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.868 2.962 17968
2169 1 7 . 1 1 42 42 ARG H H 40 8.590 8.590 8.549 0.041 17968
2170 1 7 . 1 1 43 43 GLU N N 41 117.710 117.710 118.011 -0.301 17968
2171 1 7 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.246 0.014 17968
2172 1 7 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.107 0.823 17968
2173 1 7 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.281 1.249 17968
2174 1 7 . 1 1 43 43 GLU H H 41 6.800 6.800 7.821 -1.021 17968
2175 1 7 . 1 1 44 44 VAL N N 42 124.710 124.710 120.735 3.975 17968
2176 1 7 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.543 -0.363 17968
2177 1 7 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.566 0.964 17968
2178 1 7 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.412 -0.082 17968
2179 1 7 . 1 1 44 44 VAL H H 42 7.760 7.760 7.530 0.230 17968
2180 1 7 . 1 1 45 45 TYR N N 43 118.310 118.310 118.400 -0.090 17968
2181 1 7 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.186 0.004 17968
2182 1 7 . 1 1 45 45 TYR CA C 43 59.130 59.130 61.013 -1.883 17968
2183 1 7 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.488 1.242 17968
2184 1 7 . 1 1 45 45 TYR H H 43 7.600 7.600 8.069 -0.469 17968
2185 1 7 . 1 1 46 46 ASP N N 44 120.910 120.910 120.302 0.608 17968
2186 1 7 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.399 0.311 17968
2187 1 7 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.373 0.656 17968
2188 1 7 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.357 0.473 17968
2189 1 7 . 1 1 46 46 ASP H H 44 8.660 8.660 7.703 0.957 17968
2190 1 7 . 1 1 47 47 PHE N N 45 125.310 125.310 119.803 5.507 17968
2191 1 7 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.215 -0.285 17968
2192 1 7 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.597 1.033 17968
2193 1 7 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.236 -0.206 17968
2194 1 7 . 1 1 47 47 PHE H H 45 8.250 8.250 8.060 0.190 17968
2195 1 7 . 1 1 48 48 ALA N N 46 119.710 119.710 121.822 -2.112 17968
2196 1 7 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.297 0.203 17968
2197 1 7 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.003 0.127 17968
2198 1 7 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.653 0.077 17968
2199 1 7 . 1 1 48 48 ALA H H 46 7.790 7.790 7.580 0.210 17968
2200 1 7 . 1 1 49 49 PHE N N 47 123.210 123.210 118.147 5.063 17968
2201 1 7 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.342 0.208 17968
2202 1 7 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.211 -0.681 17968
2203 1 7 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.377 -0.347 17968
2204 1 7 . 1 1 49 49 PHE H H 47 9.040 9.040 8.422 0.618 17968
2205 1 7 . 1 1 50 50 ARG N N 48 119.810 119.810 118.569 1.241 17968
2206 1 7 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.455 -0.405 17968
2207 1 7 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.092 2.038 17968
2208 1 7 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.213 -0.183 17968
2209 1 7 . 1 1 50 50 ARG H H 48 8.100 8.100 7.961 0.139 17968
2210 1 7 . 1 1 51 51 ASP N N 49 120.910 120.910 121.015 -0.105 17968
2211 1 7 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.691 -0.241 17968
2212 1 7 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.642 0.887 17968
2213 1 7 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.839 0.091 17968
2214 1 7 . 1 1 51 51 ASP H H 49 8.010 8.010 8.595 -0.585 17968
2215 1 7 . 1 1 52 52 LEU N N 50 118.510 118.510 122.296 -3.786 17968
2216 1 7 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.589 -0.419 17968
2217 1 7 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.789 1.441 17968
2218 1 7 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.908 -3.678 17968
2219 1 7 . 1 1 52 52 LEU H H 50 6.720 6.720 7.367 -0.647 17968
2220 1 7 . 1 1 53 53 CYS N N 51 117.410 117.410 119.000 -1.590 17968
2221 1 7 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.518 -0.608 17968
2222 1 7 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.335 2.395 17968
2223 1 7 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.177 -1.447 17968
2224 1 7 . 1 1 53 53 CYS H H 51 8.030 8.030 8.348 -0.318 17968
2225 1 7 . 1 1 54 54 ILE N N 52 125.110 125.110 122.894 2.216 17968
2226 1 7 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.216 -0.226 17968
2227 1 7 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.671 -1.741 17968
2228 1 7 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.280 -0.550 17968
2229 1 7 . 1 1 54 54 ILE H H 52 8.450 8.450 8.448 0.002 17968
2230 1 7 . 1 1 55 55 VAL N N 53 127.010 127.010 122.518 4.492 17968
2231 1 7 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.448 -0.098 17968
2232 1 7 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.669 -0.039 17968
2233 1 7 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.082 1.148 17968
2234 1 7 . 1 1 55 55 VAL H H 53 8.120 8.120 7.837 0.283 17968
2235 1 7 . 1 1 56 56 TYR N N 54 125.010 125.010 125.741 -0.731 17968
2236 1 7 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.028 0.352 17968
2237 1 7 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.496 -0.066 17968
2238 1 7 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.246 1.784 17968
2239 1 7 . 1 1 56 56 TYR H H 54 8.710 8.710 8.663 0.047 17968
2240 1 7 . 1 1 57 57 ARG N N 55 123.810 123.810 127.237 -3.427 17968
2241 1 7 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.269 0.361 17968
2242 1 7 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.857 -0.527 17968
2243 1 7 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.029 2.800 17968
2244 1 7 . 1 1 57 57 ARG H H 55 8.860 8.860 8.456 0.404 17968
2245 1 7 . 1 1 58 58 ASP N N 56 129.110 129.110 126.089 3.021 17968
2246 1 7 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.432 -0.132 17968
2247 1 7 . 1 1 58 58 ASP CA C 56 55.730 55.730 54.509 1.221 17968
2248 1 7 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.279 -0.149 17968
2249 1 7 . 1 1 58 58 ASP H H 56 9.630 9.630 9.007 0.623 17968
2250 1 7 . 1 1 59 59 GLY N N 57 104.510 104.510 103.379 1.131 17968
2251 1 7 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.385 0.245 17968
2252 1 7 . 1 1 59 59 GLY H H 57 8.710 8.710 8.422 0.288 17968
2253 1 7 . 1 1 60 60 ASN N N 58 122.110 122.110 117.062 5.048 17968
2254 1 7 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.368 0.012 17968
2255 1 7 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.243 0.087 17968
2256 1 7 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.793 -0.363 17968
2257 1 7 . 1 1 60 60 ASN H H 58 8.130 8.130 7.565 0.565 17968
2258 1 7 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.099 -0.329 17968
2259 1 7 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.347 -1.317 17968
2260 1 7 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.890 2.540 17968
2261 1 7 . 1 1 62 62 TYR N N 60 119.910 119.910 123.927 -4.017 17968
2262 1 7 . 1 1 62 62 TYR HA H 60 4.350 4.350 5.000 -0.650 17968
2263 1 7 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.595 1.535 17968
2264 1 7 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.221 0.209 17968
2265 1 7 . 1 1 62 62 TYR H H 60 8.580 8.580 7.419 1.161 17968
2266 1 7 . 1 1 63 63 ALA N N 61 123.710 123.710 121.033 2.677 17968
2267 1 7 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.685 -0.305 17968
2268 1 7 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.073 -0.743 17968
2269 1 7 . 1 1 63 63 ALA CB C 61 20.230 20.230 22.226 -1.996 17968
2270 1 7 . 1 1 63 63 ALA H H 61 7.980 7.980 9.064 -1.084 17968
2271 1 7 . 1 1 64 64 VAL N N 62 120.610 120.610 118.881 1.729 17968
2272 1 7 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.323 1.157 17968
2273 1 7 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.477 -0.147 17968
2274 1 7 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.537 3.693 17968
2275 1 7 . 1 1 64 64 VAL H H 62 6.330 6.330 8.548 -2.218 17968
2276 1 7 . 1 1 65 65 CYS N N 63 130.310 130.310 125.244 5.066 17968
2277 1 7 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.620 -0.060 17968
2278 1 7 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.436 0.994 17968
2279 1 7 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.971 2.059 17968
2280 1 7 . 1 1 65 65 CYS H H 63 9.420 9.420 8.637 0.783 17968
2281 1 7 . 1 1 66 66 ASP N N 64 121.110 121.110 119.836 1.274 17968
2282 1 7 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.358 0.052 17968
2283 1 7 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.621 0.809 17968
2284 1 7 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.955 1.575 17968
2285 1 7 . 1 1 66 66 ASP H H 64 9.040 9.040 8.851 0.189 17968
2286 1 7 . 1 1 67 67 LYS N N 65 121.910 121.910 119.171 2.739 17968
2287 1 7 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.330 -0.340 17968
2288 1 7 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.955 1.175 17968
2289 1 7 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.664 0.166 17968
2290 1 7 . 1 1 67 67 LYS H H 65 8.330 8.330 7.601 0.729 17968
2291 1 7 . 1 1 68 68 CYS N N 66 125.510 125.510 119.518 5.992 17968
2292 1 7 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.549 -0.439 17968
2293 1 7 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.864 1.866 17968
2294 1 7 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.798 4.832 17968
2295 1 7 . 1 1 68 68 CYS H H 66 8.690 8.690 7.852 0.838 17968
2296 1 7 . 1 1 69 69 LEU N N 67 125.110 125.110 121.767 3.343 17968
2297 1 7 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.074 -0.044 17968
2298 1 7 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.545 0.084 17968
2299 1 7 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.232 -0.002 17968
2300 1 7 . 1 1 69 69 LEU H H 67 8.460 8.460 8.458 0.002 17968
2301 1 7 . 1 1 70 70 LYS N N 68 119.210 119.210 116.785 2.425 17968
2302 1 7 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.180 -0.200 17968
2303 1 7 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.762 1.268 17968
2304 1 7 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.190 0.040 17968
2305 1 7 . 1 1 70 70 LYS H H 68 7.830 7.830 7.895 -0.065 17968
2306 1 7 . 1 1 71 71 PHE N N 69 121.710 121.710 119.113 2.597 17968
2307 1 7 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.123 0.147 17968
2308 1 7 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.549 -0.419 17968
2309 1 7 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.654 -0.224 17968
2310 1 7 . 1 1 71 71 PHE H H 69 7.810 7.810 7.488 0.322 17968
2311 1 8 . 1 1 4 4 PHE N N 2 122.310 122.310 125.384 -3.074 17968
2312 1 8 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.941 -0.321 17968
2313 1 8 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.372 -1.042 17968
2314 1 8 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.731 -1.301 17968
2315 1 8 . 1 1 4 4 PHE H H 2 8.370 8.370 8.853 -0.483 17968
2316 1 8 . 1 1 5 5 GLN N N 3 123.510 123.510 122.635 0.875 17968
2317 1 8 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.419 -0.229 17968
2318 1 8 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.253 1.777 17968
2319 1 8 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.720 -0.790 17968
2320 1 8 . 1 1 5 5 GLN H H 3 8.250 8.250 7.773 0.477 17968
2321 1 8 . 1 1 6 6 ASP N N 4 125.010 125.010 120.248 4.762 17968
2322 1 8 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.578 0.262 17968
2323 1 8 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.037 -1.007 17968
2324 1 8 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.971 0.759 17968
2325 1 8 . 1 1 6 6 ASP H H 4 8.410 8.410 8.258 0.152 17968
2326 1 8 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.344 -0.224 17968
2327 1 8 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.380 0.750 17968
2328 1 8 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.075 0.255 17968
2329 1 8 . 1 1 8 8 GLN N N 6 119.710 119.710 118.559 1.151 17968
2330 1 8 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.196 -0.046 17968
2331 1 8 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.013 0.617 17968
2332 1 8 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.679 1.651 17968
2333 1 8 . 1 1 8 8 GLN H H 6 8.430 8.430 7.349 1.081 17968
2334 1 8 . 1 1 9 9 GLU N N 7 122.110 122.110 125.481 -3.371 17968
2335 1 8 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.115 0.065 17968
2336 1 8 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.734 0.396 17968
2337 1 8 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.052 0.478 17968
2338 1 8 . 1 1 9 9 GLU H H 7 7.940 7.940 8.566 -0.626 17968
2339 1 8 . 1 1 10 10 ARG N N 8 123.410 123.410 115.643 7.767 17968
2340 1 8 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.144 0.266 17968
2341 1 8 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.645 -1.515 17968
2342 1 8 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.091 2.239 17968
2343 1 8 . 1 1 10 10 ARG H H 8 7.670 7.670 7.916 -0.246 17968
2344 1 8 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.574 -0.234 17968
2345 1 8 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.806 0.724 17968
2346 1 8 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.001 -0.371 17968
2347 1 8 . 1 1 12 12 ARG N N 10 123.810 123.810 120.120 3.690 17968
2348 1 8 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.497 0.163 17968
2349 1 8 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.372 0.458 17968
2350 1 8 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.607 1.923 17968
2351 1 8 . 1 1 12 12 ARG H H 10 8.700 8.700 8.817 -0.117 17968
2352 1 8 . 1 1 13 13 LYS N N 11 118.310 118.310 119.307 -0.997 17968
2353 1 8 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.661 0.389 17968
2354 1 8 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.837 -0.607 17968
2355 1 8 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.470 2.160 17968
2356 1 8 . 1 1 13 13 LYS H H 11 7.810 7.810 7.591 0.219 17968
2357 1 8 . 1 1 14 14 LEU N N 12 124.810 124.810 128.706 -3.896 17968
2358 1 8 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.254 -0.104 17968
2359 1 8 . 1 1 14 14 LEU CA C 12 59.630 59.630 60.095 -0.465 17968
2360 1 8 . 1 1 14 14 LEU CB C 12 40.530 40.530 40.028 0.502 17968
2361 1 8 . 1 1 14 14 LEU H H 12 10.210 10.210 9.284 0.926 17968
2362 1 8 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.132 0.038 17968
2363 1 8 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.522 1.808 17968
2364 1 8 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.979 -0.449 17968
2365 1 8 . 1 1 16 16 GLN N N 14 117.710 117.710 115.941 1.769 17968
2366 1 8 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.199 -0.039 17968
2367 1 8 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.984 1.146 17968
2368 1 8 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.163 -0.533 17968
2369 1 8 . 1 1 16 16 GLN H H 14 7.100 7.100 7.627 -0.527 17968
2370 1 8 . 1 1 17 17 LEU N N 15 124.610 124.610 122.640 1.970 17968
2371 1 8 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.183 -0.183 17968
2372 1 8 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.934 0.697 17968
2373 1 8 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.647 0.383 17968
2374 1 8 . 1 1 17 17 LEU H H 15 8.020 8.020 7.924 0.096 17968
2375 1 8 . 1 1 18 18 CYS N N 16 117.210 117.210 116.269 0.941 17968
2376 1 8 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.085 -0.355 17968
2377 1 8 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.965 0.865 17968
2378 1 8 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.149 0.080 17968
2379 1 8 . 1 1 18 18 CYS H H 16 8.410 8.410 8.341 0.069 17968
2380 1 8 . 1 1 19 19 THR N N 17 117.710 117.710 115.370 2.340 17968
2381 1 8 . 1 1 19 19 THR HA H 17 3.990 3.990 4.146 -0.156 17968
2382 1 8 . 1 1 19 19 THR CA C 17 66.830 66.830 66.636 0.194 17968
2383 1 8 . 1 1 19 19 THR CB C 17 68.830 68.830 68.486 0.344 17968
2384 1 8 . 1 1 19 19 THR H H 17 7.670 7.670 7.600 0.070 17968
2385 1 8 . 1 1 20 20 GLU N N 18 125.410 125.410 120.924 4.486 17968
2386 1 8 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.204 -0.144 17968
2387 1 8 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.181 0.649 17968
2388 1 8 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.671 -0.041 17968
2389 1 8 . 1 1 20 20 GLU H H 18 7.980 7.980 7.686 0.294 17968
2390 1 8 . 1 1 21 21 LEU N N 19 118.810 118.810 117.392 1.418 17968
2391 1 8 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.454 -0.164 17968
2392 1 8 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.651 0.279 17968
2393 1 8 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.510 -0.280 17968
2394 1 8 . 1 1 21 21 LEU H H 19 7.990 7.990 7.995 -0.005 17968
2395 1 8 . 1 1 22 22 GLN N N 20 118.310 118.310 116.871 1.439 17968
2396 1 8 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.103 -0.163 17968
2397 1 8 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.046 -0.416 17968
2398 1 8 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.194 -0.064 17968
2399 1 8 . 1 1 22 22 GLN H H 20 7.850 7.850 7.566 0.284 17968
2400 1 8 . 1 1 23 23 THR N N 21 115.810 115.810 112.951 2.859 17968
2401 1 8 . 1 1 23 23 THR HA H 21 4.920 4.920 4.676 0.244 17968
2402 1 8 . 1 1 23 23 THR CA C 21 58.730 58.730 60.343 -1.613 17968
2403 1 8 . 1 1 23 23 THR CB C 21 70.330 70.330 70.579 -0.248 17968
2404 1 8 . 1 1 23 23 THR H H 21 8.210 8.210 8.611 -0.401 17968
2405 1 8 . 1 1 24 24 THR N N 22 112.810 112.810 112.429 0.381 17968
2406 1 8 . 1 1 24 24 THR HA H 22 4.860 4.860 4.791 0.069 17968
2407 1 8 . 1 1 24 24 THR CA C 22 59.830 59.830 59.847 -0.017 17968
2408 1 8 . 1 1 24 24 THR CB C 22 74.030 74.030 71.196 2.834 17968
2409 1 8 . 1 1 24 24 THR H H 22 8.620 8.620 8.006 0.614 17968
2410 1 8 . 1 1 25 25 ILE N N 23 124.310 124.310 118.650 5.660 17968
2411 1 8 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.838 -0.178 17968
2412 1 8 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.389 -0.659 17968
2413 1 8 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.853 0.377 17968
2414 1 8 . 1 1 25 25 ILE H H 23 9.020 9.020 8.615 0.405 17968
2415 1 8 . 1 1 26 26 HIS N N 24 119.210 119.210 113.583 5.627 17968
2416 1 8 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.984 -0.604 17968
2417 1 8 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.994 -0.564 17968
2418 1 8 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.382 1.348 17968
2419 1 8 . 1 1 26 26 HIS H H 24 6.870 6.870 7.998 -1.128 17968
2420 1 8 . 1 1 27 27 ASP N N 25 116.510 116.510 118.127 -1.617 17968
2421 1 8 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.745 0.005 17968
2422 1 8 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.292 0.138 17968
2423 1 8 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.516 0.814 17968
2424 1 8 . 1 1 27 27 ASP H H 25 7.220 7.220 7.744 -0.524 17968
2425 1 8 . 1 1 28 28 ILE N N 26 123.310 123.310 122.744 0.566 17968
2426 1 8 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.954 -0.054 17968
2427 1 8 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.444 0.686 17968
2428 1 8 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.488 -0.558 17968
2429 1 8 . 1 1 28 28 ILE H H 26 7.690 7.690 7.925 -0.235 17968
2430 1 8 . 1 1 29 29 ILE N N 27 130.910 130.910 128.557 2.353 17968
2431 1 8 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.221 0.139 17968
2432 1 8 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.251 -0.421 17968
2433 1 8 . 1 1 29 29 ILE CB C 27 37.730 37.730 38.385 -0.655 17968
2434 1 8 . 1 1 29 29 ILE H H 27 8.230 8.230 8.139 0.091 17968
2435 1 8 . 1 1 30 30 LEU N N 28 129.310 129.310 126.889 2.421 17968
2436 1 8 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.417 0.233 17968
2437 1 8 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.640 -1.110 17968
2438 1 8 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.166 2.163 17968
2439 1 8 . 1 1 30 30 LEU H H 28 8.450 8.450 8.498 -0.048 17968
2440 1 8 . 1 1 31 31 GLU N N 29 121.810 121.810 119.715 2.095 17968
2441 1 8 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.016 -0.356 17968
2442 1 8 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.304 0.426 17968
2443 1 8 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.609 1.321 17968
2444 1 8 . 1 1 31 31 GLU H H 29 8.820 8.820 8.436 0.384 17968
2445 1 8 . 1 1 32 32 CYS N N 30 125.510 125.510 121.274 4.236 17968
2446 1 8 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.838 -0.808 17968
2447 1 8 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.532 -1.302 17968
2448 1 8 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.925 3.905 17968
2449 1 8 . 1 1 32 32 CYS H H 30 8.240 8.240 8.688 -0.448 17968
2450 1 8 . 1 1 33 33 VAL N N 31 132.310 132.310 127.119 5.191 17968
2451 1 8 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.416 -0.336 17968
2452 1 8 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.984 -0.654 17968
2453 1 8 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.927 -0.297 17968
2454 1 8 . 1 1 33 33 VAL H H 31 8.880 8.880 8.594 0.286 17968
2455 1 8 . 1 1 34 34 TYR N N 32 124.210 124.210 115.016 9.194 17968
2456 1 8 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.572 -0.122 17968
2457 1 8 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.965 1.065 17968
2458 1 8 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.276 0.754 17968
2459 1 8 . 1 1 34 34 TYR H H 32 8.620 8.620 7.357 1.263 17968
2460 1 8 . 1 1 35 35 CYS N N 33 119.810 119.810 115.612 4.198 17968
2461 1 8 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.451 0.349 17968
2462 1 8 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.752 -0.422 17968
2463 1 8 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.392 4.838 17968
2464 1 8 . 1 1 35 35 CYS H H 33 8.090 8.090 7.787 0.303 17968
2465 1 8 . 1 1 36 36 LYS N N 34 119.810 119.810 115.088 4.722 17968
2466 1 8 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.212 -0.052 17968
2467 1 8 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.262 0.568 17968
2468 1 8 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.795 -1.565 17968
2469 1 8 . 1 1 36 36 LYS H H 34 7.870 7.870 7.614 0.256 17968
2470 1 8 . 1 1 37 37 GLN N N 35 120.610 120.610 116.820 3.790 17968
2471 1 8 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.434 -0.064 17968
2472 1 8 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.031 0.399 17968
2473 1 8 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.294 0.436 17968
2474 1 8 . 1 1 37 37 GLN H H 35 8.250 8.250 8.008 0.242 17968
2475 1 8 . 1 1 38 38 GLN N N 36 123.610 123.610 122.035 1.575 17968
2476 1 8 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.087 0.273 17968
2477 1 8 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.170 0.659 17968
2478 1 8 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.419 1.011 17968
2479 1 8 . 1 1 38 38 GLN H H 36 8.630 8.630 8.512 0.118 17968
2480 1 8 . 1 1 39 39 LEU N N 37 131.410 131.410 126.864 4.546 17968
2481 1 8 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.194 -0.094 17968
2482 1 8 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.621 1.609 17968
2483 1 8 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.492 -0.362 17968
2484 1 8 . 1 1 39 39 LEU H H 37 8.830 8.830 8.432 0.398 17968
2485 1 8 . 1 1 40 40 LEU N N 38 126.410 126.410 122.924 3.486 17968
2486 1 8 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.320 -0.030 17968
2487 1 8 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.510 -0.180 17968
2488 1 8 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.548 0.382 17968
2489 1 8 . 1 1 40 40 LEU H H 38 9.780 9.780 8.064 1.716 17968
2490 1 8 . 1 1 41 41 ARG N N 39 126.610 126.610 120.909 5.701 17968
2491 1 8 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.650 -0.200 17968
2492 1 8 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.010 -1.080 17968
2493 1 8 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.687 -2.657 17968
2494 1 8 . 1 1 41 41 ARG H H 39 8.880 8.880 8.716 0.164 17968
2495 1 8 . 1 1 42 42 ARG N N 40 116.410 116.410 118.791 -2.381 17968
2496 1 8 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.967 0.033 17968
2497 1 8 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.263 -0.733 17968
2498 1 8 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.819 3.011 17968
2499 1 8 . 1 1 42 42 ARG H H 40 8.590 8.590 8.566 0.024 17968
2500 1 8 . 1 1 43 43 GLU N N 41 117.710 117.710 118.760 -1.050 17968
2501 1 8 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.118 0.142 17968
2502 1 8 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.805 0.125 17968
2503 1 8 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.964 1.566 17968
2504 1 8 . 1 1 43 43 GLU H H 41 6.800 6.800 7.677 -0.877 17968
2505 1 8 . 1 1 44 44 VAL N N 42 124.710 124.710 119.892 4.818 17968
2506 1 8 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.608 -0.428 17968
2507 1 8 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.141 1.389 17968
2508 1 8 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.416 -0.086 17968
2509 1 8 . 1 1 44 44 VAL H H 42 7.760 7.760 7.548 0.212 17968
2510 1 8 . 1 1 45 45 TYR N N 43 118.310 118.310 118.298 0.012 17968
2511 1 8 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.185 0.005 17968
2512 1 8 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.556 0.574 17968
2513 1 8 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.219 1.510 17968
2514 1 8 . 1 1 45 45 TYR H H 43 7.600 7.600 7.408 0.192 17968
2515 1 8 . 1 1 46 46 ASP N N 44 120.910 120.910 120.128 0.782 17968
2516 1 8 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.454 0.256 17968
2517 1 8 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.738 0.292 17968
2518 1 8 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.770 0.060 17968
2519 1 8 . 1 1 46 46 ASP H H 44 8.660 8.660 8.091 0.569 17968
2520 1 8 . 1 1 47 47 PHE N N 45 125.310 125.310 119.302 6.008 17968
2521 1 8 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.056 -0.126 17968
2522 1 8 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.705 0.925 17968
2523 1 8 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.206 -0.176 17968
2524 1 8 . 1 1 47 47 PHE H H 45 8.250 8.250 8.025 0.225 17968
2525 1 8 . 1 1 48 48 ALA N N 46 119.710 119.710 120.606 -0.896 17968
2526 1 8 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.243 0.257 17968
2527 1 8 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.663 0.467 17968
2528 1 8 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.602 0.128 17968
2529 1 8 . 1 1 48 48 ALA H H 46 7.790 7.790 7.493 0.297 17968
2530 1 8 . 1 1 49 49 PHE N N 47 123.210 123.210 119.066 4.144 17968
2531 1 8 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.359 0.191 17968
2532 1 8 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.210 -0.680 17968
2533 1 8 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.890 -0.860 17968
2534 1 8 . 1 1 49 49 PHE H H 47 9.040 9.040 7.664 1.376 17968
2535 1 8 . 1 1 50 50 ARG N N 48 119.810 119.810 119.157 0.653 17968
2536 1 8 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.374 -0.324 17968
2537 1 8 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.684 1.446 17968
2538 1 8 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.018 0.012 17968
2539 1 8 . 1 1 50 50 ARG H H 48 8.100 8.100 8.077 0.023 17968
2540 1 8 . 1 1 51 51 ASP N N 49 120.910 120.910 122.745 -1.835 17968
2541 1 8 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.517 -0.067 17968
2542 1 8 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.622 -0.092 17968
2543 1 8 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.274 -0.344 17968
2544 1 8 . 1 1 51 51 ASP H H 49 8.010 8.010 8.418 -0.408 17968
2545 1 8 . 1 1 52 52 LEU N N 50 118.510 118.510 124.178 -5.668 17968
2546 1 8 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.750 -0.580 17968
2547 1 8 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.881 1.349 17968
2548 1 8 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.206 -3.977 17968
2549 1 8 . 1 1 52 52 LEU H H 50 6.720 6.720 7.816 -1.096 17968
2550 1 8 . 1 1 53 53 CYS N N 51 117.410 117.410 116.381 1.029 17968
2551 1 8 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.721 -0.811 17968
2552 1 8 . 1 1 53 53 CYS CA C 51 58.730 58.730 55.777 2.953 17968
2553 1 8 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.399 -2.669 17968
2554 1 8 . 1 1 53 53 CYS H H 51 8.030 8.030 8.287 -0.257 17968
2555 1 8 . 1 1 54 54 ILE N N 52 125.110 125.110 122.771 2.339 17968
2556 1 8 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.207 -0.217 17968
2557 1 8 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.386 -1.456 17968
2558 1 8 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.255 -0.525 17968
2559 1 8 . 1 1 54 54 ILE H H 52 8.450 8.450 8.208 0.242 17968
2560 1 8 . 1 1 55 55 VAL N N 53 127.010 127.010 123.005 4.005 17968
2561 1 8 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.415 -0.065 17968
2562 1 8 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.778 -0.148 17968
2563 1 8 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.505 1.725 17968
2564 1 8 . 1 1 55 55 VAL H H 53 8.120 8.120 7.915 0.205 17968
2565 1 8 . 1 1 56 56 TYR N N 54 125.010 125.010 126.922 -1.912 17968
2566 1 8 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.979 0.401 17968
2567 1 8 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.500 -0.070 17968
2568 1 8 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.091 1.939 17968
2569 1 8 . 1 1 56 56 TYR H H 54 8.710 8.710 8.654 0.056 17968
2570 1 8 . 1 1 57 57 ARG N N 55 123.810 123.810 125.311 -1.501 17968
2571 1 8 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.183 0.447 17968
2572 1 8 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.267 -0.938 17968
2573 1 8 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.819 3.011 17968
2574 1 8 . 1 1 57 57 ARG H H 55 8.860 8.860 8.503 0.357 17968
2575 1 8 . 1 1 58 58 ASP N N 56 129.110 129.110 124.801 4.309 17968
2576 1 8 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.289 0.011 17968
2577 1 8 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.697 -0.967 17968
2578 1 8 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.295 -0.165 17968
2579 1 8 . 1 1 58 58 ASP H H 56 9.630 9.630 8.761 0.869 17968
2580 1 8 . 1 1 59 59 GLY N N 57 104.510 104.510 105.717 -1.207 17968
2581 1 8 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.566 0.063 17968
2582 1 8 . 1 1 59 59 GLY H H 57 8.710 8.710 8.348 0.362 17968
2583 1 8 . 1 1 60 60 ASN N N 58 122.110 122.110 118.687 3.423 17968
2584 1 8 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.383 -0.003 17968
2585 1 8 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.514 -0.184 17968
2586 1 8 . 1 1 60 60 ASN CB C 58 40.430 40.430 42.183 -1.753 17968
2587 1 8 . 1 1 60 60 ASN H H 58 8.130 8.130 7.937 0.193 17968
2588 1 8 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.080 -0.310 17968
2589 1 8 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.124 -1.094 17968
2590 1 8 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.824 2.606 17968
2591 1 8 . 1 1 62 62 TYR N N 60 119.910 119.910 124.597 -4.687 17968
2592 1 8 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.731 -0.381 17968
2593 1 8 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.007 1.123 17968
2594 1 8 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.545 0.885 17968
2595 1 8 . 1 1 62 62 TYR H H 60 8.580 8.580 7.434 1.146 17968
2596 1 8 . 1 1 63 63 ALA N N 61 123.710 123.710 121.074 2.636 17968
2597 1 8 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.540 -0.160 17968
2598 1 8 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.799 -0.469 17968
2599 1 8 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.826 -1.596 17968
2600 1 8 . 1 1 63 63 ALA H H 61 7.980 7.980 9.022 -1.042 17968
2601 1 8 . 1 1 64 64 VAL N N 62 120.610 120.610 117.877 2.733 17968
2602 1 8 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.406 1.074 17968
2603 1 8 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.835 0.495 17968
2604 1 8 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.316 2.914 17968
2605 1 8 . 1 1 64 64 VAL H H 62 6.330 6.330 8.375 -2.045 17968
2606 1 8 . 1 1 65 65 CYS N N 63 130.310 130.310 123.891 6.419 17968
2607 1 8 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.633 -0.073 17968
2608 1 8 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.614 0.816 17968
2609 1 8 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.684 1.346 17968
2610 1 8 . 1 1 65 65 CYS H H 63 9.420 9.420 8.531 0.889 17968
2611 1 8 . 1 1 66 66 ASP N N 64 121.110 121.110 120.385 0.725 17968
2612 1 8 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.378 0.032 17968
2613 1 8 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.312 1.118 17968
2614 1 8 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.926 1.604 17968
2615 1 8 . 1 1 66 66 ASP H H 64 9.040 9.040 9.059 -0.019 17968
2616 1 8 . 1 1 67 67 LYS N N 65 121.910 121.910 119.140 2.770 17968
2617 1 8 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.290 -0.300 17968
2618 1 8 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.968 1.163 17968
2619 1 8 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.617 0.213 17968
2620 1 8 . 1 1 67 67 LYS H H 65 8.330 8.330 8.189 0.141 17968
2621 1 8 . 1 1 68 68 CYS N N 66 125.510 125.510 119.424 6.086 17968
2622 1 8 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.732 -0.622 17968
2623 1 8 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.521 2.209 17968
2624 1 8 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.219 4.411 17968
2625 1 8 . 1 1 68 68 CYS H H 66 8.690 8.690 7.837 0.853 17968
2626 1 8 . 1 1 69 69 LEU N N 67 125.110 125.110 120.064 5.046 17968
2627 1 8 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.180 -0.150 17968
2628 1 8 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.623 1.007 17968
2629 1 8 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.947 0.283 17968
2630 1 8 . 1 1 69 69 LEU H H 67 8.460 8.460 8.470 -0.010 17968
2631 1 8 . 1 1 70 70 LYS N N 68 119.210 119.210 117.748 1.462 17968
2632 1 8 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.123 -0.143 17968
2633 1 8 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.287 0.743 17968
2634 1 8 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.216 0.014 17968
2635 1 8 . 1 1 70 70 LYS H H 68 7.830 7.830 7.618 0.212 17968
2636 1 8 . 1 1 71 71 PHE N N 69 121.710 121.710 118.506 3.204 17968
2637 1 8 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.262 0.008 17968
2638 1 8 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.305 -0.175 17968
2639 1 8 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.636 -0.206 17968
2640 1 8 . 1 1 71 71 PHE H H 69 7.810 7.810 7.491 0.319 17968
2641 1 9 . 1 1 4 4 PHE N N 2 122.310 122.310 122.283 0.027 17968
2642 1 9 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.967 -0.347 17968
2643 1 9 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.181 -0.851 17968
2644 1 9 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.560 -2.130 17968
2645 1 9 . 1 1 4 4 PHE H H 2 8.370 8.370 8.979 -0.609 17968
2646 1 9 . 1 1 5 5 GLN N N 3 123.510 123.510 124.043 -0.533 17968
2647 1 9 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.522 -0.332 17968
2648 1 9 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.445 1.585 17968
2649 1 9 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.370 -2.440 17968
2650 1 9 . 1 1 5 5 GLN H H 3 8.250 8.250 8.136 0.114 17968
2651 1 9 . 1 1 6 6 ASP N N 4 125.010 125.010 119.988 5.022 17968
2652 1 9 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.429 0.411 17968
2653 1 9 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.804 -1.774 17968
2654 1 9 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.128 0.602 17968
2655 1 9 . 1 1 6 6 ASP H H 4 8.410 8.410 8.486 -0.076 17968
2656 1 9 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.386 -0.266 17968
2657 1 9 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.007 1.123 17968
2658 1 9 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.981 0.349 17968
2659 1 9 . 1 1 8 8 GLN N N 6 119.710 119.710 119.797 -0.087 17968
2660 1 9 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.370 -0.220 17968
2661 1 9 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.366 1.264 17968
2662 1 9 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.724 1.606 17968
2663 1 9 . 1 1 8 8 GLN H H 6 8.430 8.430 7.452 0.978 17968
2664 1 9 . 1 1 9 9 GLU N N 7 122.110 122.110 124.523 -2.413 17968
2665 1 9 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.029 0.151 17968
2666 1 9 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.697 -0.567 17968
2667 1 9 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.221 0.309 17968
2668 1 9 . 1 1 9 9 GLU H H 7 7.940 7.940 8.588 -0.648 17968
2669 1 9 . 1 1 10 10 ARG N N 8 123.410 123.410 116.555 6.855 17968
2670 1 9 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.244 0.166 17968
2671 1 9 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.596 -1.466 17968
2672 1 9 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.836 1.494 17968
2673 1 9 . 1 1 10 10 ARG H H 8 7.670 7.670 9.024 -1.354 17968
2674 1 9 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.610 -0.270 17968
2675 1 9 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.086 1.444 17968
2676 1 9 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.649 -0.019 17968
2677 1 9 . 1 1 12 12 ARG N N 10 123.810 123.810 118.914 4.896 17968
2678 1 9 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.756 -0.096 17968
2679 1 9 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.057 0.773 17968
2680 1 9 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.566 1.964 17968
2681 1 9 . 1 1 12 12 ARG H H 10 8.700 8.700 8.761 -0.061 17968
2682 1 9 . 1 1 13 13 LYS N N 11 118.310 118.310 118.487 -0.177 17968
2683 1 9 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.798 0.252 17968
2684 1 9 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.990 -0.760 17968
2685 1 9 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.764 0.866 17968
2686 1 9 . 1 1 13 13 LYS H H 11 7.810 7.810 7.668 0.142 17968
2687 1 9 . 1 1 14 14 LEU N N 12 124.810 124.810 127.662 -2.852 17968
2688 1 9 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.283 -0.133 17968
2689 1 9 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.788 -0.157 17968
2690 1 9 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.918 0.612 17968
2691 1 9 . 1 1 14 14 LEU H H 12 10.210 10.210 9.253 0.957 17968
2692 1 9 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.125 0.045 17968
2693 1 9 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.064 1.266 17968
2694 1 9 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.966 -0.436 17968
2695 1 9 . 1 1 16 16 GLN N N 14 117.710 117.710 117.354 0.356 17968
2696 1 9 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.230 -0.070 17968
2697 1 9 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.222 0.908 17968
2698 1 9 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.652 -0.022 17968
2699 1 9 . 1 1 16 16 GLN H H 14 7.100 7.100 7.916 -0.816 17968
2700 1 9 . 1 1 17 17 LEU N N 15 124.610 124.610 122.233 2.377 17968
2701 1 9 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.164 -0.164 17968
2702 1 9 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.843 0.787 17968
2703 1 9 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.706 0.324 17968
2704 1 9 . 1 1 17 17 LEU H H 15 8.020 8.020 7.793 0.227 17968
2705 1 9 . 1 1 18 18 CYS N N 16 117.210 117.210 116.621 0.589 17968
2706 1 9 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.103 -0.373 17968
2707 1 9 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.666 1.165 17968
2708 1 9 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.159 0.071 17968
2709 1 9 . 1 1 18 18 CYS H H 16 8.410 8.410 8.216 0.194 17968
2710 1 9 . 1 1 19 19 THR N N 17 117.710 117.710 115.468 2.242 17968
2711 1 9 . 1 1 19 19 THR HA H 17 3.990 3.990 4.064 -0.074 17968
2712 1 9 . 1 1 19 19 THR CA C 17 66.830 66.830 66.648 0.182 17968
2713 1 9 . 1 1 19 19 THR CB C 17 68.830 68.830 68.398 0.432 17968
2714 1 9 . 1 1 19 19 THR H H 17 7.670 7.670 7.555 0.115 17968
2715 1 9 . 1 1 20 20 GLU N N 18 125.410 125.410 120.700 4.710 17968
2716 1 9 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.191 -0.131 17968
2717 1 9 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.041 0.789 17968
2718 1 9 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.520 0.110 17968
2719 1 9 . 1 1 20 20 GLU H H 18 7.980 7.980 7.572 0.408 17968
2720 1 9 . 1 1 21 21 LEU N N 19 118.810 118.810 118.585 0.225 17968
2721 1 9 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.571 -0.281 17968
2722 1 9 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.678 -0.748 17968
2723 1 9 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.571 -0.341 17968
2724 1 9 . 1 1 21 21 LEU H H 19 7.990 7.990 7.830 0.160 17968
2725 1 9 . 1 1 22 22 GLN N N 20 118.310 118.310 116.109 2.201 17968
2726 1 9 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.042 -0.102 17968
2727 1 9 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.483 -0.853 17968
2728 1 9 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.401 -0.271 17968
2729 1 9 . 1 1 22 22 GLN H H 20 7.850 7.850 7.771 0.079 17968
2730 1 9 . 1 1 23 23 THR N N 21 115.810 115.810 113.159 2.651 17968
2731 1 9 . 1 1 23 23 THR HA H 21 4.920 4.920 4.828 0.092 17968
2732 1 9 . 1 1 23 23 THR CA C 21 58.730 58.730 60.833 -2.103 17968
2733 1 9 . 1 1 23 23 THR CB C 21 70.330 70.330 70.718 -0.388 17968
2734 1 9 . 1 1 23 23 THR H H 21 8.210 8.210 8.390 -0.180 17968
2735 1 9 . 1 1 24 24 THR N N 22 112.810 112.810 112.649 0.161 17968
2736 1 9 . 1 1 24 24 THR HA H 22 4.860 4.860 4.868 -0.008 17968
2737 1 9 . 1 1 24 24 THR CA C 22 59.830 59.830 59.794 0.036 17968
2738 1 9 . 1 1 24 24 THR CB C 22 74.030 74.030 70.943 3.087 17968
2739 1 9 . 1 1 24 24 THR H H 22 8.620 8.620 8.070 0.550 17968
2740 1 9 . 1 1 25 25 ILE N N 23 124.310 124.310 118.815 5.495 17968
2741 1 9 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.864 -0.204 17968
2742 1 9 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.466 -0.736 17968
2743 1 9 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.832 0.398 17968
2744 1 9 . 1 1 25 25 ILE H H 23 9.020 9.020 8.615 0.405 17968
2745 1 9 . 1 1 26 26 HIS N N 24 119.210 119.210 114.740 4.470 17968
2746 1 9 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.958 -0.578 17968
2747 1 9 . 1 1 26 26 HIS CA C 24 56.430 56.430 58.138 -1.708 17968
2748 1 9 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.924 0.806 17968
2749 1 9 . 1 1 26 26 HIS H H 24 6.870 6.870 8.120 -1.250 17968
2750 1 9 . 1 1 27 27 ASP N N 25 116.510 116.510 118.831 -2.321 17968
2751 1 9 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.713 0.037 17968
2752 1 9 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.953 0.477 17968
2753 1 9 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.920 1.410 17968
2754 1 9 . 1 1 27 27 ASP H H 25 7.220 7.220 7.700 -0.480 17968
2755 1 9 . 1 1 28 28 ILE N N 26 123.310 123.310 122.423 0.887 17968
2756 1 9 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.920 -0.020 17968
2757 1 9 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.431 0.699 17968
2758 1 9 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.354 -0.424 17968
2759 1 9 . 1 1 28 28 ILE H H 26 7.690 7.690 7.708 -0.018 17968
2760 1 9 . 1 1 29 29 ILE N N 27 130.910 130.910 128.486 2.424 17968
2761 1 9 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.223 0.137 17968
2762 1 9 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.928 -0.098 17968
2763 1 9 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.958 -0.228 17968
2764 1 9 . 1 1 29 29 ILE H H 27 8.230 8.230 8.098 0.132 17968
2765 1 9 . 1 1 30 30 LEU N N 28 129.310 129.310 127.963 1.347 17968
2766 1 9 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.525 0.125 17968
2767 1 9 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.403 -0.873 17968
2768 1 9 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.934 2.396 17968
2769 1 9 . 1 1 30 30 LEU H H 28 8.450 8.450 8.597 -0.147 17968
2770 1 9 . 1 1 31 31 GLU N N 29 121.810 121.810 118.841 2.969 17968
2771 1 9 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.998 -0.338 17968
2772 1 9 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.602 0.128 17968
2773 1 9 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.678 1.252 17968
2774 1 9 . 1 1 31 31 GLU H H 29 8.820 8.820 8.362 0.458 17968
2775 1 9 . 1 1 32 32 CYS N N 30 125.510 125.510 121.817 3.693 17968
2776 1 9 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.966 -0.936 17968
2777 1 9 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.020 -1.790 17968
2778 1 9 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.094 3.736 17968
2779 1 9 . 1 1 32 32 CYS H H 30 8.240 8.240 9.007 -0.767 17968
2780 1 9 . 1 1 33 33 VAL N N 31 132.310 132.310 127.157 5.153 17968
2781 1 9 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.508 -0.428 17968
2782 1 9 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.070 0.260 17968
2783 1 9 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.076 -0.446 17968
2784 1 9 . 1 1 33 33 VAL H H 31 8.880 8.880 8.352 0.528 17968
2785 1 9 . 1 1 34 34 TYR N N 32 124.210 124.210 115.683 8.527 17968
2786 1 9 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.478 -0.028 17968
2787 1 9 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.335 -0.305 17968
2788 1 9 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.828 1.202 17968
2789 1 9 . 1 1 34 34 TYR H H 32 8.620 8.620 7.484 1.136 17968
2790 1 9 . 1 1 35 35 CYS N N 33 119.810 119.810 113.798 6.012 17968
2791 1 9 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.638 0.162 17968
2792 1 9 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.825 1.505 17968
2793 1 9 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.851 4.379 17968
2794 1 9 . 1 1 35 35 CYS H H 33 8.090 8.090 7.844 0.246 17968
2795 1 9 . 1 1 36 36 LYS N N 34 119.810 119.810 116.481 3.329 17968
2796 1 9 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.271 -0.111 17968
2797 1 9 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.377 0.453 17968
2798 1 9 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.958 -0.728 17968
2799 1 9 . 1 1 36 36 LYS H H 34 7.870 7.870 8.255 -0.385 17968
2800 1 9 . 1 1 37 37 GLN N N 35 120.610 120.610 118.108 2.502 17968
2801 1 9 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.387 -0.017 17968
2802 1 9 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.040 0.390 17968
2803 1 9 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.731 -0.001 17968
2804 1 9 . 1 1 37 37 GLN H H 35 8.250 8.250 7.765 0.485 17968
2805 1 9 . 1 1 38 38 GLN N N 36 123.610 123.610 122.671 0.939 17968
2806 1 9 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.206 0.154 17968
2807 1 9 . 1 1 38 38 GLN CA C 36 56.830 56.830 55.838 0.992 17968
2808 1 9 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.873 0.557 17968
2809 1 9 . 1 1 38 38 GLN H H 36 8.630 8.630 8.571 0.059 17968
2810 1 9 . 1 1 39 39 LEU N N 37 131.410 131.410 128.671 2.739 17968
2811 1 9 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.313 -0.213 17968
2812 1 9 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.035 2.196 17968
2813 1 9 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.631 -0.501 17968
2814 1 9 . 1 1 39 39 LEU H H 37 8.830 8.830 8.235 0.595 17968
2815 1 9 . 1 1 40 40 LEU N N 38 126.410 126.410 122.484 3.926 17968
2816 1 9 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.331 -0.041 17968
2817 1 9 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.517 -0.188 17968
2818 1 9 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.462 0.468 17968
2819 1 9 . 1 1 40 40 LEU H H 38 9.780 9.780 8.425 1.355 17968
2820 1 9 . 1 1 41 41 ARG N N 39 126.610 126.610 121.624 4.986 17968
2821 1 9 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.607 -0.157 17968
2822 1 9 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.844 -0.914 17968
2823 1 9 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.597 -2.567 17968
2824 1 9 . 1 1 41 41 ARG H H 39 8.880 8.880 8.688 0.192 17968
2825 1 9 . 1 1 42 42 ARG N N 40 116.410 116.410 119.127 -2.717 17968
2826 1 9 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.994 0.006 17968
2827 1 9 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.397 -0.867 17968
2828 1 9 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.807 3.023 17968
2829 1 9 . 1 1 42 42 ARG H H 40 8.590 8.590 8.480 0.110 17968
2830 1 9 . 1 1 43 43 GLU N N 41 117.710 117.710 118.088 -0.378 17968
2831 1 9 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.160 0.100 17968
2832 1 9 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.359 0.570 17968
2833 1 9 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.141 1.389 17968
2834 1 9 . 1 1 43 43 GLU H H 41 6.800 6.800 7.681 -0.881 17968
2835 1 9 . 1 1 44 44 VAL N N 42 124.710 124.710 120.421 4.289 17968
2836 1 9 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.539 -0.359 17968
2837 1 9 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.301 1.229 17968
2838 1 9 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.517 -0.187 17968
2839 1 9 . 1 1 44 44 VAL H H 42 7.760 7.760 7.457 0.303 17968
2840 1 9 . 1 1 45 45 TYR N N 43 118.310 118.310 117.741 0.569 17968
2841 1 9 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.268 -0.078 17968
2842 1 9 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.305 -0.175 17968
2843 1 9 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.174 1.556 17968
2844 1 9 . 1 1 45 45 TYR H H 43 7.600 7.600 7.615 -0.015 17968
2845 1 9 . 1 1 46 46 ASP N N 44 120.910 120.910 120.034 0.876 17968
2846 1 9 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.529 0.181 17968
2847 1 9 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.370 0.659 17968
2848 1 9 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.562 0.269 17968
2849 1 9 . 1 1 46 46 ASP H H 44 8.660 8.660 7.665 0.995 17968
2850 1 9 . 1 1 47 47 PHE N N 45 125.310 125.310 119.919 5.391 17968
2851 1 9 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.077 -0.147 17968
2852 1 9 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.596 1.034 17968
2853 1 9 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.345 -0.315 17968
2854 1 9 . 1 1 47 47 PHE H H 45 8.250 8.250 7.788 0.462 17968
2855 1 9 . 1 1 48 48 ALA N N 46 119.710 119.710 119.988 -0.278 17968
2856 1 9 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.236 0.264 17968
2857 1 9 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.582 0.548 17968
2858 1 9 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.586 0.144 17968
2859 1 9 . 1 1 48 48 ALA H H 46 7.790 7.790 7.338 0.452 17968
2860 1 9 . 1 1 49 49 PHE N N 47 123.210 123.210 118.671 4.539 17968
2861 1 9 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.310 0.240 17968
2862 1 9 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.080 -0.550 17968
2863 1 9 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.762 -0.732 17968
2864 1 9 . 1 1 49 49 PHE H H 47 9.040 9.040 7.660 1.380 17968
2865 1 9 . 1 1 50 50 ARG N N 48 119.810 119.810 118.222 1.588 17968
2866 1 9 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.462 -0.412 17968
2867 1 9 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.707 2.423 17968
2868 1 9 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.977 0.053 17968
2869 1 9 . 1 1 50 50 ARG H H 48 8.100 8.100 7.833 0.267 17968
2870 1 9 . 1 1 51 51 ASP N N 49 120.910 120.910 120.343 0.567 17968
2871 1 9 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.662 -0.212 17968
2872 1 9 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.071 0.459 17968
2873 1 9 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.108 -0.178 17968
2874 1 9 . 1 1 51 51 ASP H H 49 8.010 8.010 8.486 -0.476 17968
2875 1 9 . 1 1 52 52 LEU N N 50 118.510 118.510 124.992 -6.482 17968
2876 1 9 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.586 -0.416 17968
2877 1 9 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.566 0.664 17968
2878 1 9 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.512 -4.282 17968
2879 1 9 . 1 1 52 52 LEU H H 50 6.720 6.720 7.811 -1.091 17968
2880 1 9 . 1 1 53 53 CYS N N 51 117.410 117.410 119.141 -1.731 17968
2881 1 9 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.064 -0.154 17968
2882 1 9 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.624 1.106 17968
2883 1 9 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.682 -1.952 17968
2884 1 9 . 1 1 53 53 CYS H H 51 8.030 8.030 8.542 -0.512 17968
2885 1 9 . 1 1 54 54 ILE N N 52 125.110 125.110 124.081 1.029 17968
2886 1 9 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.298 -0.308 17968
2887 1 9 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.925 -1.995 17968
2888 1 9 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.249 -0.519 17968
2889 1 9 . 1 1 54 54 ILE H H 52 8.450 8.450 8.679 -0.229 17968
2890 1 9 . 1 1 55 55 VAL N N 53 127.010 127.010 124.149 2.861 17968
2891 1 9 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.374 -0.024 17968
2892 1 9 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.326 -0.696 17968
2893 1 9 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.524 1.706 17968
2894 1 9 . 1 1 55 55 VAL H H 53 8.120 8.120 8.025 0.095 17968
2895 1 9 . 1 1 56 56 TYR N N 54 125.010 125.010 126.715 -1.705 17968
2896 1 9 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.246 0.134 17968
2897 1 9 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.320 0.110 17968
2898 1 9 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.394 1.637 17968
2899 1 9 . 1 1 56 56 TYR H H 54 8.710 8.710 8.753 -0.043 17968
2900 1 9 . 1 1 57 57 ARG N N 55 123.810 123.810 125.966 -2.156 17968
2901 1 9 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.286 0.344 17968
2902 1 9 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.573 -0.243 17968
2903 1 9 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.195 2.635 17968
2904 1 9 . 1 1 57 57 ARG H H 55 8.860 8.860 8.388 0.472 17968
2905 1 9 . 1 1 58 58 ASP N N 56 129.110 129.110 126.146 2.964 17968
2906 1 9 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.302 -0.002 17968
2907 1 9 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.144 -0.414 17968
2908 1 9 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.320 -0.190 17968
2909 1 9 . 1 1 58 58 ASP H H 56 9.630 9.630 8.919 0.711 17968
2910 1 9 . 1 1 59 59 GLY N N 57 104.510 104.510 105.881 -1.371 17968
2911 1 9 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.426 0.204 17968
2912 1 9 . 1 1 59 59 GLY H H 57 8.710 8.710 8.505 0.205 17968
2913 1 9 . 1 1 60 60 ASN N N 58 122.110 122.110 118.964 3.146 17968
2914 1 9 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.381 -0.001 17968
2915 1 9 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.971 -0.641 17968
2916 1 9 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.904 -1.474 17968
2917 1 9 . 1 1 60 60 ASN H H 58 8.130 8.130 7.987 0.143 17968
2918 1 9 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.554 0.216 17968
2919 1 9 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.888 -0.858 17968
2920 1 9 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.250 2.180 17968
2921 1 9 . 1 1 62 62 TYR N N 60 119.910 119.910 123.840 -3.930 17968
2922 1 9 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.926 -0.576 17968
2923 1 9 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.613 1.517 17968
2924 1 9 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.005 0.424 17968
2925 1 9 . 1 1 62 62 TYR H H 60 8.580 8.580 7.792 0.788 17968
2926 1 9 . 1 1 63 63 ALA N N 61 123.710 123.710 120.824 2.886 17968
2927 1 9 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.622 -0.242 17968
2928 1 9 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.972 -0.642 17968
2929 1 9 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.788 -1.558 17968
2930 1 9 . 1 1 63 63 ALA H H 61 7.980 7.980 9.028 -1.048 17968
2931 1 9 . 1 1 64 64 VAL N N 62 120.610 120.610 117.494 3.116 17968
2932 1 9 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.568 0.912 17968
2933 1 9 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.742 0.588 17968
2934 1 9 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.002 2.228 17968
2935 1 9 . 1 1 64 64 VAL H H 62 6.330 6.330 8.335 -2.005 17968
2936 1 9 . 1 1 65 65 CYS N N 63 130.310 130.310 123.796 6.514 17968
2937 1 9 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.631 -0.071 17968
2938 1 9 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.602 0.828 17968
2939 1 9 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.655 1.375 17968
2940 1 9 . 1 1 65 65 CYS H H 63 9.420 9.420 8.356 1.064 17968
2941 1 9 . 1 1 66 66 ASP N N 64 121.110 121.110 121.296 -0.186 17968
2942 1 9 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.229 0.181 17968
2943 1 9 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.099 0.332 17968
2944 1 9 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.055 1.475 17968
2945 1 9 . 1 1 66 66 ASP H H 64 9.040 9.040 9.150 -0.110 17968
2946 1 9 . 1 1 67 67 LYS N N 65 121.910 121.910 118.998 2.912 17968
2947 1 9 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.119 -0.129 17968
2948 1 9 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.552 0.578 17968
2949 1 9 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.265 0.565 17968
2950 1 9 . 1 1 67 67 LYS H H 65 8.330 8.330 8.262 0.068 17968
2951 1 9 . 1 1 68 68 CYS N N 66 125.510 125.510 118.828 6.682 17968
2952 1 9 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.464 -0.354 17968
2953 1 9 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.489 2.241 17968
2954 1 9 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.928 4.702 17968
2955 1 9 . 1 1 68 68 CYS H H 66 8.690 8.690 7.723 0.967 17968
2956 1 9 . 1 1 69 69 LEU N N 67 125.110 125.110 122.547 2.563 17968
2957 1 9 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.089 -0.059 17968
2958 1 9 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.294 0.336 17968
2959 1 9 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.254 -0.024 17968
2960 1 9 . 1 1 69 69 LEU H H 67 8.460 8.460 8.667 -0.207 17968
2961 1 9 . 1 1 70 70 LYS N N 68 119.210 119.210 116.873 2.337 17968
2962 1 9 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.141 -0.161 17968
2963 1 9 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.026 1.004 17968
2964 1 9 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.564 -0.334 17968
2965 1 9 . 1 1 70 70 LYS H H 68 7.830 7.830 7.713 0.117 17968
2966 1 9 . 1 1 71 71 PHE N N 69 121.710 121.710 120.001 1.709 17968
2967 1 9 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.202 0.068 17968
2968 1 9 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.648 0.482 17968
2969 1 9 . 1 1 71 71 PHE CB C 69 39.430 39.430 40.137 -0.707 17968
2970 1 9 . 1 1 71 71 PHE H H 69 7.810 7.810 7.494 0.316 17968
2971 1 10 . 1 1 4 4 PHE N N 2 122.310 122.310 123.164 -0.854 17968
2972 1 10 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.986 -0.366 17968
2973 1 10 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.421 -1.091 17968
2974 1 10 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.720 -2.290 17968
2975 1 10 . 1 1 4 4 PHE H H 2 8.370 8.370 8.514 -0.144 17968
2976 1 10 . 1 1 5 5 GLN N N 3 123.510 123.510 123.032 0.478 17968
2977 1 10 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.489 -0.299 17968
2978 1 10 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.087 1.942 17968
2979 1 10 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.705 0.225 17968
2980 1 10 . 1 1 5 5 GLN H H 3 8.250 8.250 7.855 0.395 17968
2981 1 10 . 1 1 6 6 ASP N N 4 125.010 125.010 120.154 4.856 17968
2982 1 10 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.544 0.296 17968
2983 1 10 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.391 -1.361 17968
2984 1 10 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.466 0.264 17968
2985 1 10 . 1 1 6 6 ASP H H 4 8.410 8.410 8.493 -0.083 17968
2986 1 10 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.386 -0.266 17968
2987 1 10 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.158 0.972 17968
2988 1 10 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.294 0.036 17968
2989 1 10 . 1 1 8 8 GLN N N 6 119.710 119.710 118.643 1.067 17968
2990 1 10 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.190 -0.040 17968
2991 1 10 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.140 0.490 17968
2992 1 10 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.105 1.224 17968
2993 1 10 . 1 1 8 8 GLN H H 6 8.430 8.430 7.347 1.083 17968
2994 1 10 . 1 1 9 9 GLU N N 7 122.110 122.110 123.820 -1.710 17968
2995 1 10 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.278 -0.098 17968
2996 1 10 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.630 0.500 17968
2997 1 10 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.648 -0.118 17968
2998 1 10 . 1 1 9 9 GLU H H 7 7.940 7.940 9.178 -1.238 17968
2999 1 10 . 1 1 10 10 ARG N N 8 123.410 123.410 116.189 7.221 17968
3000 1 10 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.300 0.110 17968
3001 1 10 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.826 -1.696 17968
3002 1 10 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.639 1.691 17968
3003 1 10 . 1 1 10 10 ARG H H 8 7.670 7.670 8.602 -0.932 17968
3004 1 10 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.615 -0.275 17968
3005 1 10 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.552 0.978 17968
3006 1 10 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.863 -0.233 17968
3007 1 10 . 1 1 12 12 ARG N N 10 123.810 123.810 119.311 4.499 17968
3008 1 10 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.507 0.153 17968
3009 1 10 . 1 1 12 12 ARG CA C 10 56.830 56.830 57.041 -0.211 17968
3010 1 10 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.694 1.836 17968
3011 1 10 . 1 1 12 12 ARG H H 10 8.700 8.700 8.785 -0.085 17968
3012 1 10 . 1 1 13 13 LYS N N 11 118.310 118.310 119.591 -1.281 17968
3013 1 10 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.748 0.302 17968
3014 1 10 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.879 -0.649 17968
3015 1 10 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.553 2.077 17968
3016 1 10 . 1 1 13 13 LYS H H 11 7.810 7.810 8.030 -0.220 17968
3017 1 10 . 1 1 14 14 LEU N N 12 124.810 124.810 128.082 -3.272 17968
3018 1 10 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.239 -0.089 17968
3019 1 10 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.730 -0.100 17968
3020 1 10 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.856 0.674 17968
3021 1 10 . 1 1 14 14 LEU H H 12 10.210 10.210 9.239 0.971 17968
3022 1 10 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.118 0.052 17968
3023 1 10 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.807 1.523 17968
3024 1 10 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.951 -0.421 17968
3025 1 10 . 1 1 16 16 GLN N N 14 117.710 117.710 116.994 0.716 17968
3026 1 10 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.264 -0.104 17968
3027 1 10 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.706 1.424 17968
3028 1 10 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.074 -0.444 17968
3029 1 10 . 1 1 16 16 GLN H H 14 7.100 7.100 7.587 -0.487 17968
3030 1 10 . 1 1 17 17 LEU N N 15 124.610 124.610 122.447 2.163 17968
3031 1 10 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.182 -0.182 17968
3032 1 10 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.174 0.456 17968
3033 1 10 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.992 0.038 17968
3034 1 10 . 1 1 17 17 LEU H H 15 8.020 8.020 7.693 0.327 17968
3035 1 10 . 1 1 18 18 CYS N N 16 117.210 117.210 116.287 0.923 17968
3036 1 10 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.082 -0.352 17968
3037 1 10 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.515 1.315 17968
3038 1 10 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.093 0.137 17968
3039 1 10 . 1 1 18 18 CYS H H 16 8.410 8.410 8.189 0.221 17968
3040 1 10 . 1 1 19 19 THR N N 17 117.710 117.710 116.436 1.274 17968
3041 1 10 . 1 1 19 19 THR HA H 17 3.990 3.990 4.107 -0.117 17968
3042 1 10 . 1 1 19 19 THR CA C 17 66.830 66.830 66.753 0.077 17968
3043 1 10 . 1 1 19 19 THR CB C 17 68.830 68.830 68.589 0.241 17968
3044 1 10 . 1 1 19 19 THR H H 17 7.670 7.670 7.448 0.222 17968
3045 1 10 . 1 1 20 20 GLU N N 18 125.410 125.410 121.632 3.778 17968
3046 1 10 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.186 -0.126 17968
3047 1 10 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.278 0.552 17968
3048 1 10 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.442 0.188 17968
3049 1 10 . 1 1 20 20 GLU H H 18 7.980 7.980 7.796 0.184 17968
3050 1 10 . 1 1 21 21 LEU N N 19 118.810 118.810 117.885 0.925 17968
3051 1 10 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.427 -0.137 17968
3052 1 10 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.886 0.044 17968
3053 1 10 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.443 -0.213 17968
3054 1 10 . 1 1 21 21 LEU H H 19 7.990 7.990 7.599 0.391 17968
3055 1 10 . 1 1 22 22 GLN N N 20 118.310 118.310 115.384 2.926 17968
3056 1 10 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.102 -0.162 17968
3057 1 10 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.127 -0.497 17968
3058 1 10 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.126 0.004 17968
3059 1 10 . 1 1 22 22 GLN H H 20 7.850 7.850 7.661 0.189 17968
3060 1 10 . 1 1 23 23 THR N N 21 115.810 115.810 113.088 2.722 17968
3061 1 10 . 1 1 23 23 THR HA H 21 4.920 4.920 4.647 0.273 17968
3062 1 10 . 1 1 23 23 THR CA C 21 58.730 58.730 59.786 -1.056 17968
3063 1 10 . 1 1 23 23 THR CB C 21 70.330 70.330 71.226 -0.896 17968
3064 1 10 . 1 1 23 23 THR H H 21 8.210 8.210 8.433 -0.223 17968
3065 1 10 . 1 1 24 24 THR N N 22 112.810 112.810 112.576 0.234 17968
3066 1 10 . 1 1 24 24 THR HA H 22 4.860 4.860 4.722 0.138 17968
3067 1 10 . 1 1 24 24 THR CA C 22 59.830 59.830 59.767 0.062 17968
3068 1 10 . 1 1 24 24 THR CB C 22 74.030 74.030 71.349 2.681 17968
3069 1 10 . 1 1 24 24 THR H H 22 8.620 8.620 7.965 0.655 17968
3070 1 10 . 1 1 25 25 ILE N N 23 124.310 124.310 118.645 5.665 17968
3071 1 10 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.824 -0.164 17968
3072 1 10 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.616 0.114 17968
3073 1 10 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.660 0.570 17968
3074 1 10 . 1 1 25 25 ILE H H 23 9.020 9.020 8.437 0.583 17968
3075 1 10 . 1 1 26 26 HIS N N 24 119.210 119.210 114.829 4.381 17968
3076 1 10 . 1 1 26 26 HIS HA H 24 4.380 4.380 5.061 -0.681 17968
3077 1 10 . 1 1 26 26 HIS CA C 24 56.430 56.430 55.803 0.627 17968
3078 1 10 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.375 1.355 17968
3079 1 10 . 1 1 26 26 HIS H H 24 6.870 6.870 7.645 -0.775 17968
3080 1 10 . 1 1 27 27 ASP N N 25 116.510 116.510 118.331 -1.821 17968
3081 1 10 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.660 0.090 17968
3082 1 10 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.597 -0.168 17968
3083 1 10 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.409 0.921 17968
3084 1 10 . 1 1 27 27 ASP H H 25 7.220 7.220 7.607 -0.387 17968
3085 1 10 . 1 1 28 28 ILE N N 26 123.310 123.310 123.087 0.223 17968
3086 1 10 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.948 -0.048 17968
3087 1 10 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.466 0.664 17968
3088 1 10 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.425 -0.495 17968
3089 1 10 . 1 1 28 28 ILE H H 26 7.690 7.690 7.802 -0.112 17968
3090 1 10 . 1 1 29 29 ILE N N 27 130.910 130.910 129.640 1.270 17968
3091 1 10 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.154 0.206 17968
3092 1 10 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.992 -0.162 17968
3093 1 10 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.836 0.894 17968
3094 1 10 . 1 1 29 29 ILE H H 27 8.230 8.230 8.183 0.047 17968
3095 1 10 . 1 1 30 30 LEU N N 28 129.310 129.310 128.636 0.674 17968
3096 1 10 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.374 0.276 17968
3097 1 10 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.760 -1.230 17968
3098 1 10 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.444 3.886 17968
3099 1 10 . 1 1 30 30 LEU H H 28 8.450 8.450 8.409 0.041 17968
3100 1 10 . 1 1 31 31 GLU N N 29 121.810 121.810 119.203 2.607 17968
3101 1 10 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.980 -0.320 17968
3102 1 10 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.546 -0.816 17968
3103 1 10 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.715 0.215 17968
3104 1 10 . 1 1 31 31 GLU H H 29 8.820 8.820 8.335 0.485 17968
3105 1 10 . 1 1 32 32 CYS N N 30 125.510 125.510 121.964 3.546 17968
3106 1 10 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.945 -0.915 17968
3107 1 10 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.600 -1.370 17968
3108 1 10 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.971 3.859 17968
3109 1 10 . 1 1 32 32 CYS H H 30 8.240 8.240 8.752 -0.512 17968
3110 1 10 . 1 1 33 33 VAL N N 31 132.310 132.310 127.028 5.282 17968
3111 1 10 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.272 -0.192 17968
3112 1 10 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.571 -0.241 17968
3113 1 10 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.939 -0.309 17968
3114 1 10 . 1 1 33 33 VAL H H 31 8.880 8.880 8.230 0.650 17968
3115 1 10 . 1 1 34 34 TYR N N 32 124.210 124.210 115.495 8.715 17968
3116 1 10 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.511 -0.061 17968
3117 1 10 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.148 0.882 17968
3118 1 10 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.710 1.320 17968
3119 1 10 . 1 1 34 34 TYR H H 32 8.620 8.620 7.253 1.367 17968
3120 1 10 . 1 1 35 35 CYS N N 33 119.810 119.810 117.075 2.735 17968
3121 1 10 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.286 0.514 17968
3122 1 10 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.423 -0.093 17968
3123 1 10 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.163 5.067 17968
3124 1 10 . 1 1 35 35 CYS H H 33 8.090 8.090 7.614 0.476 17968
3125 1 10 . 1 1 36 36 LYS N N 34 119.810 119.810 116.986 2.824 17968
3126 1 10 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.207 -0.047 17968
3127 1 10 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.934 0.897 17968
3128 1 10 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.786 -1.556 17968
3129 1 10 . 1 1 36 36 LYS H H 34 7.870 7.870 8.107 -0.237 17968
3130 1 10 . 1 1 37 37 GLN N N 35 120.610 120.610 116.763 3.847 17968
3131 1 10 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.544 -0.174 17968
3132 1 10 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.180 1.250 17968
3133 1 10 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.133 -1.403 17968
3134 1 10 . 1 1 37 37 GLN H H 35 8.250 8.250 7.869 0.381 17968
3135 1 10 . 1 1 38 38 GLN N N 36 123.610 123.610 121.426 2.184 17968
3136 1 10 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.260 0.100 17968
3137 1 10 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.648 0.182 17968
3138 1 10 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.951 0.479 17968
3139 1 10 . 1 1 38 38 GLN H H 36 8.630 8.630 8.542 0.088 17968
3140 1 10 . 1 1 39 39 LEU N N 37 131.410 131.410 126.991 4.419 17968
3141 1 10 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.332 -0.232 17968
3142 1 10 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.484 2.746 17968
3143 1 10 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.738 -0.608 17968
3144 1 10 . 1 1 39 39 LEU H H 37 8.830 8.830 8.519 0.311 17968
3145 1 10 . 1 1 40 40 LEU N N 38 126.410 126.410 122.167 4.243 17968
3146 1 10 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.242 0.048 17968
3147 1 10 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.701 -0.371 17968
3148 1 10 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.728 0.202 17968
3149 1 10 . 1 1 40 40 LEU H H 38 9.780 9.780 8.305 1.475 17968
3150 1 10 . 1 1 41 41 ARG N N 39 126.610 126.610 120.728 5.882 17968
3151 1 10 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.691 -0.241 17968
3152 1 10 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.889 -0.959 17968
3153 1 10 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.613 -2.583 17968
3154 1 10 . 1 1 41 41 ARG H H 39 8.880 8.880 8.769 0.111 17968
3155 1 10 . 1 1 42 42 ARG N N 40 116.410 116.410 120.310 -3.900 17968
3156 1 10 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.105 -0.105 17968
3157 1 10 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.488 -0.958 17968
3158 1 10 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.829 3.001 17968
3159 1 10 . 1 1 42 42 ARG H H 40 8.590 8.590 8.673 -0.083 17968
3160 1 10 . 1 1 43 43 GLU N N 41 117.710 117.710 118.268 -0.558 17968
3161 1 10 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.246 0.014 17968
3162 1 10 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.452 0.478 17968
3163 1 10 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.689 1.841 17968
3164 1 10 . 1 1 43 43 GLU H H 41 6.800 6.800 7.799 -0.999 17968
3165 1 10 . 1 1 44 44 VAL N N 42 124.710 124.710 121.719 2.991 17968
3166 1 10 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.556 -0.376 17968
3167 1 10 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.694 0.836 17968
3168 1 10 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.625 -0.295 17968
3169 1 10 . 1 1 44 44 VAL H H 42 7.760 7.760 7.644 0.116 17968
3170 1 10 . 1 1 45 45 TYR N N 43 118.310 118.310 118.478 -0.168 17968
3171 1 10 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.302 -0.112 17968
3172 1 10 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.374 -0.244 17968
3173 1 10 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.448 1.282 17968
3174 1 10 . 1 1 45 45 TYR H H 43 7.600 7.600 7.950 -0.350 17968
3175 1 10 . 1 1 46 46 ASP N N 44 120.910 120.910 119.856 1.054 17968
3176 1 10 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.357 0.353 17968
3177 1 10 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.523 0.507 17968
3178 1 10 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.944 -0.114 17968
3179 1 10 . 1 1 46 46 ASP H H 44 8.660 8.660 7.810 0.850 17968
3180 1 10 . 1 1 47 47 PHE N N 45 125.310 125.310 119.571 5.739 17968
3181 1 10 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.265 -0.335 17968
3182 1 10 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.053 1.577 17968
3183 1 10 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.423 -0.393 17968
3184 1 10 . 1 1 47 47 PHE H H 45 8.250 8.250 8.274 -0.024 17968
3185 1 10 . 1 1 48 48 ALA N N 46 119.710 119.710 121.422 -1.712 17968
3186 1 10 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.207 0.293 17968
3187 1 10 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.590 0.540 17968
3188 1 10 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.311 0.419 17968
3189 1 10 . 1 1 48 48 ALA H H 46 7.790 7.790 7.918 -0.128 17968
3190 1 10 . 1 1 49 49 PHE N N 47 123.210 123.210 117.928 5.282 17968
3191 1 10 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.364 0.186 17968
3192 1 10 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.172 0.358 17968
3193 1 10 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.756 -0.726 17968
3194 1 10 . 1 1 49 49 PHE H H 47 9.040 9.040 7.818 1.222 17968
3195 1 10 . 1 1 50 50 ARG N N 48 119.810 119.810 119.074 0.736 17968
3196 1 10 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.451 -0.401 17968
3197 1 10 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.358 2.772 17968
3198 1 10 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.637 -0.608 17968
3199 1 10 . 1 1 50 50 ARG H H 48 8.100 8.100 7.440 0.660 17968
3200 1 10 . 1 1 51 51 ASP N N 49 120.910 120.910 121.975 -1.065 17968
3201 1 10 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.555 -0.105 17968
3202 1 10 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.188 0.342 17968
3203 1 10 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.649 0.281 17968
3204 1 10 . 1 1 51 51 ASP H H 49 8.010 8.010 8.596 -0.586 17968
3205 1 10 . 1 1 52 52 LEU N N 50 118.510 118.510 120.815 -2.305 17968
3206 1 10 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.348 -0.178 17968
3207 1 10 . 1 1 52 52 LEU CA C 50 54.230 54.230 54.058 0.172 17968
3208 1 10 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.264 -2.034 17968
3209 1 10 . 1 1 52 52 LEU H H 50 6.720 6.720 7.764 -1.044 17968
3210 1 10 . 1 1 53 53 CYS N N 51 117.410 117.410 116.889 0.521 17968
3211 1 10 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.240 -0.330 17968
3212 1 10 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.469 1.260 17968
3213 1 10 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.535 -2.805 17968
3214 1 10 . 1 1 53 53 CYS H H 51 8.030 8.030 8.299 -0.269 17968
3215 1 10 . 1 1 54 54 ILE N N 52 125.110 125.110 122.680 2.430 17968
3216 1 10 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.204 -0.214 17968
3217 1 10 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.905 -1.975 17968
3218 1 10 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.460 -0.730 17968
3219 1 10 . 1 1 54 54 ILE H H 52 8.450 8.450 8.584 -0.134 17968
3220 1 10 . 1 1 55 55 VAL N N 53 127.010 127.010 126.905 0.105 17968
3221 1 10 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.286 0.064 17968
3222 1 10 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.351 -0.721 17968
3223 1 10 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.020 1.210 17968
3224 1 10 . 1 1 55 55 VAL H H 53 8.120 8.120 8.320 -0.200 17968
3225 1 10 . 1 1 56 56 TYR N N 54 125.010 125.010 127.519 -2.509 17968
3226 1 10 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.097 0.283 17968
3227 1 10 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.380 0.050 17968
3228 1 10 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.993 2.037 17968
3229 1 10 . 1 1 56 56 TYR H H 54 8.710 8.710 8.851 -0.141 17968
3230 1 10 . 1 1 57 57 ARG N N 55 123.810 123.810 126.381 -2.571 17968
3231 1 10 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.231 0.399 17968
3232 1 10 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.660 -0.330 17968
3233 1 10 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.280 3.550 17968
3234 1 10 . 1 1 57 57 ARG H H 55 8.860 8.860 8.433 0.427 17968
3235 1 10 . 1 1 58 58 ASP N N 56 129.110 129.110 126.292 2.818 17968
3236 1 10 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.380 -0.080 17968
3237 1 10 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.281 -0.550 17968
3238 1 10 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.247 -0.117 17968
3239 1 10 . 1 1 58 58 ASP H H 56 9.630 9.630 8.889 0.741 17968
3240 1 10 . 1 1 59 59 GLY N N 57 104.510 104.510 106.310 -1.800 17968
3241 1 10 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.465 0.165 17968
3242 1 10 . 1 1 59 59 GLY H H 57 8.710 8.710 8.405 0.305 17968
3243 1 10 . 1 1 60 60 ASN N N 58 122.110 122.110 118.007 4.103 17968
3244 1 10 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.303 0.077 17968
3245 1 10 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.383 -0.053 17968
3246 1 10 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.608 -1.177 17968
3247 1 10 . 1 1 60 60 ASN H H 58 8.130 8.130 7.690 0.440 17968
3248 1 10 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.425 0.345 17968
3249 1 10 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.717 -0.687 17968
3250 1 10 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.258 2.172 17968
3251 1 10 . 1 1 62 62 TYR N N 60 119.910 119.910 123.177 -3.267 17968
3252 1 10 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.597 -0.247 17968
3253 1 10 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.868 1.262 17968
3254 1 10 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.983 0.447 17968
3255 1 10 . 1 1 62 62 TYR H H 60 8.580 8.580 8.475 0.105 17968
3256 1 10 . 1 1 63 63 ALA N N 61 123.710 123.710 121.382 2.328 17968
3257 1 10 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.423 -0.043 17968
3258 1 10 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.605 -0.275 17968
3259 1 10 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.183 -0.953 17968
3260 1 10 . 1 1 63 63 ALA H H 61 7.980 7.980 8.939 -0.959 17968
3261 1 10 . 1 1 64 64 VAL N N 62 120.610 120.610 117.943 2.667 17968
3262 1 10 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.282 1.198 17968
3263 1 10 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.085 0.245 17968
3264 1 10 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.403 2.827 17968
3265 1 10 . 1 1 64 64 VAL H H 62 6.330 6.330 7.890 -1.560 17968
3266 1 10 . 1 1 65 65 CYS N N 63 130.310 130.310 124.258 6.052 17968
3267 1 10 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.487 0.073 17968
3268 1 10 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.982 0.448 17968
3269 1 10 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.494 1.536 17968
3270 1 10 . 1 1 65 65 CYS H H 63 9.420 9.420 8.330 1.090 17968
3271 1 10 . 1 1 66 66 ASP N N 64 121.110 121.110 119.834 1.276 17968
3272 1 10 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.439 -0.029 17968
3273 1 10 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.393 1.037 17968
3274 1 10 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.012 1.518 17968
3275 1 10 . 1 1 66 66 ASP H H 64 9.040 9.040 9.024 0.016 17968
3276 1 10 . 1 1 67 67 LYS N N 65 121.910 121.910 119.183 2.727 17968
3277 1 10 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.371 -0.381 17968
3278 1 10 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.891 1.239 17968
3279 1 10 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.708 0.122 17968
3280 1 10 . 1 1 67 67 LYS H H 65 8.330 8.330 7.588 0.742 17968
3281 1 10 . 1 1 68 68 CYS N N 66 125.510 125.510 119.400 6.110 17968
3282 1 10 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.295 -0.185 17968
3283 1 10 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.990 1.740 17968
3284 1 10 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.656 4.974 17968
3285 1 10 . 1 1 68 68 CYS H H 66 8.690 8.690 7.805 0.885 17968
3286 1 10 . 1 1 69 69 LEU N N 67 125.110 125.110 121.997 3.113 17968
3287 1 10 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.146 -0.116 17968
3288 1 10 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.109 0.521 17968
3289 1 10 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.169 0.062 17968
3290 1 10 . 1 1 69 69 LEU H H 67 8.460 8.460 8.181 0.279 17968
3291 1 10 . 1 1 70 70 LYS N N 68 119.210 119.210 116.347 2.863 17968
3292 1 10 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.217 -0.237 17968
3293 1 10 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.849 1.181 17968
3294 1 10 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.376 -0.146 17968
3295 1 10 . 1 1 70 70 LYS H H 68 7.830 7.830 7.852 -0.022 17968
3296 1 10 . 1 1 71 71 PHE N N 69 121.710 121.710 119.339 2.371 17968
3297 1 10 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.212 0.058 17968
3298 1 10 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.920 -0.790 17968
3299 1 10 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.689 -0.259 17968
3300 1 10 . 1 1 71 71 PHE H H 69 7.810 7.810 7.973 -0.163 17968
3301 1 11 . 1 1 4 4 PHE N N 2 122.310 122.310 121.477 0.833 17968
3302 1 11 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.976 -0.356 17968
3303 1 11 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.555 -0.225 17968
3304 1 11 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.815 -2.385 17968
3305 1 11 . 1 1 4 4 PHE H H 2 8.370 8.370 8.431 -0.061 17968
3306 1 11 . 1 1 5 5 GLN N N 3 123.510 123.510 122.593 0.917 17968
3307 1 11 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.503 -0.313 17968
3308 1 11 . 1 1 5 5 GLN CA C 3 56.030 56.030 55.758 0.272 17968
3309 1 11 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.788 -0.858 17968
3310 1 11 . 1 1 5 5 GLN H H 3 8.250 8.250 9.764 -1.514 17968
3311 1 11 . 1 1 6 6 ASP N N 4 125.010 125.010 119.542 5.468 17968
3312 1 11 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.814 0.026 17968
3313 1 11 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.175 -0.145 17968
3314 1 11 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.415 0.315 17968
3315 1 11 . 1 1 6 6 ASP H H 4 8.410 8.410 8.496 -0.086 17968
3316 1 11 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.450 -0.330 17968
3317 1 11 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.912 0.218 17968
3318 1 11 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.688 -0.358 17968
3319 1 11 . 1 1 8 8 GLN N N 6 119.710 119.710 116.668 3.042 17968
3320 1 11 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.346 -0.196 17968
3321 1 11 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.459 1.171 17968
3322 1 11 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.569 0.761 17968
3323 1 11 . 1 1 8 8 GLN H H 6 8.430 8.430 7.777 0.653 17968
3324 1 11 . 1 1 9 9 GLU N N 7 122.110 122.110 121.861 0.249 17968
3325 1 11 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.251 -0.071 17968
3326 1 11 . 1 1 9 9 GLU CA C 7 56.130 56.130 57.241 -1.111 17968
3327 1 11 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.668 -0.138 17968
3328 1 11 . 1 1 9 9 GLU H H 7 7.940 7.940 8.018 -0.078 17968
3329 1 11 . 1 1 10 10 ARG N N 8 123.410 123.410 119.997 3.413 17968
3330 1 11 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.065 0.345 17968
3331 1 11 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.460 1.670 17968
3332 1 11 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.938 0.392 17968
3333 1 11 . 1 1 10 10 ARG H H 8 7.670 7.670 7.522 0.148 17968
3334 1 11 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.508 -0.168 17968
3335 1 11 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.069 1.461 17968
3336 1 11 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.581 -0.951 17968
3337 1 11 . 1 1 12 12 ARG N N 10 123.810 123.810 117.975 5.835 17968
3338 1 11 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.582 0.078 17968
3339 1 11 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.490 1.339 17968
3340 1 11 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.872 1.658 17968
3341 1 11 . 1 1 12 12 ARG H H 10 8.700 8.700 8.712 -0.012 17968
3342 1 11 . 1 1 13 13 LYS N N 11 118.310 118.310 118.081 0.229 17968
3343 1 11 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.672 0.378 17968
3344 1 11 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.607 -1.377 17968
3345 1 11 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.809 0.821 17968
3346 1 11 . 1 1 13 13 LYS H H 11 7.810 7.810 7.574 0.236 17968
3347 1 11 . 1 1 14 14 LEU N N 12 124.810 124.810 126.941 -2.131 17968
3348 1 11 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.300 -0.150 17968
3349 1 11 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.622 0.008 17968
3350 1 11 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.906 0.624 17968
3351 1 11 . 1 1 14 14 LEU H H 12 10.210 10.210 9.101 1.109 17968
3352 1 11 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.178 -0.008 17968
3353 1 11 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.987 1.343 17968
3354 1 11 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.782 -0.252 17968
3355 1 11 . 1 1 16 16 GLN N N 14 117.710 117.710 117.372 0.338 17968
3356 1 11 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.139 0.021 17968
3357 1 11 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.249 -0.119 17968
3358 1 11 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.192 0.438 17968
3359 1 11 . 1 1 16 16 GLN H H 14 7.100 7.100 8.306 -1.206 17968
3360 1 11 . 1 1 17 17 LEU N N 15 124.610 124.610 122.192 2.418 17968
3361 1 11 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.040 -0.040 17968
3362 1 11 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.298 0.332 17968
3363 1 11 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.875 0.155 17968
3364 1 11 . 1 1 17 17 LEU H H 15 8.020 8.020 8.434 -0.414 17968
3365 1 11 . 1 1 18 18 CYS N N 16 117.210 117.210 116.769 0.441 17968
3366 1 11 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.060 -0.330 17968
3367 1 11 . 1 1 18 18 CYS CA C 16 64.830 64.830 64.252 0.578 17968
3368 1 11 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.491 -0.261 17968
3369 1 11 . 1 1 18 18 CYS H H 16 8.410 8.410 8.594 -0.184 17968
3370 1 11 . 1 1 19 19 THR N N 17 117.710 117.710 116.986 0.724 17968
3371 1 11 . 1 1 19 19 THR HA H 17 3.990 3.990 4.085 -0.095 17968
3372 1 11 . 1 1 19 19 THR CA C 17 66.830 66.830 66.606 0.224 17968
3373 1 11 . 1 1 19 19 THR CB C 17 68.830 68.830 68.682 0.148 17968
3374 1 11 . 1 1 19 19 THR H H 17 7.670 7.670 7.792 -0.122 17968
3375 1 11 . 1 1 20 20 GLU N N 18 125.410 125.410 121.811 3.599 17968
3376 1 11 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.203 -0.143 17968
3377 1 11 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.127 0.703 17968
3378 1 11 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.648 -0.018 17968
3379 1 11 . 1 1 20 20 GLU H H 18 7.980 7.980 8.313 -0.333 17968
3380 1 11 . 1 1 21 21 LEU N N 19 118.810 118.810 117.313 1.497 17968
3381 1 11 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.263 0.027 17968
3382 1 11 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.925 0.005 17968
3383 1 11 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.292 -0.062 17968
3384 1 11 . 1 1 21 21 LEU H H 19 7.990 7.990 7.829 0.161 17968
3385 1 11 . 1 1 22 22 GLN N N 20 118.310 118.310 115.400 2.910 17968
3386 1 11 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.061 -0.121 17968
3387 1 11 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.007 -0.377 17968
3388 1 11 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.444 -0.314 17968
3389 1 11 . 1 1 22 22 GLN H H 20 7.850 7.850 7.657 0.193 17968
3390 1 11 . 1 1 23 23 THR N N 21 115.810 115.810 112.631 3.179 17968
3391 1 11 . 1 1 23 23 THR HA H 21 4.920 4.920 4.857 0.063 17968
3392 1 11 . 1 1 23 23 THR CA C 21 58.730 58.730 60.543 -1.813 17968
3393 1 11 . 1 1 23 23 THR CB C 21 70.330 70.330 70.856 -0.526 17968
3394 1 11 . 1 1 23 23 THR H H 21 8.210 8.210 8.332 -0.122 17968
3395 1 11 . 1 1 24 24 THR N N 22 112.810 112.810 111.232 1.578 17968
3396 1 11 . 1 1 24 24 THR HA H 22 4.860 4.860 4.935 -0.075 17968
3397 1 11 . 1 1 24 24 THR CA C 22 59.830 59.830 59.353 0.477 17968
3398 1 11 . 1 1 24 24 THR CB C 22 74.030 74.030 71.406 2.623 17968
3399 1 11 . 1 1 24 24 THR H H 22 8.620 8.620 8.055 0.565 17968
3400 1 11 . 1 1 25 25 ILE N N 23 124.310 124.310 116.410 7.900 17968
3401 1 11 . 1 1 25 25 ILE HA H 23 3.660 3.660 4.003 -0.343 17968
3402 1 11 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.231 0.499 17968
3403 1 11 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.222 1.008 17968
3404 1 11 . 1 1 25 25 ILE H H 23 9.020 9.020 8.520 0.500 17968
3405 1 11 . 1 1 26 26 HIS N N 24 119.210 119.210 113.753 5.457 17968
3406 1 11 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.828 -0.448 17968
3407 1 11 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.004 0.426 17968
3408 1 11 . 1 1 26 26 HIS CB C 24 30.730 30.730 31.369 -0.639 17968
3409 1 11 . 1 1 26 26 HIS H H 24 6.870 6.870 7.484 -0.614 17968
3410 1 11 . 1 1 27 27 ASP N N 25 116.510 116.510 119.175 -2.665 17968
3411 1 11 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.689 0.061 17968
3412 1 11 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.954 0.476 17968
3413 1 11 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.977 1.353 17968
3414 1 11 . 1 1 27 27 ASP H H 25 7.220 7.220 7.632 -0.412 17968
3415 1 11 . 1 1 28 28 ILE N N 26 123.310 123.310 122.009 1.301 17968
3416 1 11 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.012 -0.112 17968
3417 1 11 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.413 0.717 17968
3418 1 11 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.842 -0.912 17968
3419 1 11 . 1 1 28 28 ILE H H 26 7.690 7.690 7.598 0.092 17968
3420 1 11 . 1 1 29 29 ILE N N 27 130.910 130.910 128.981 1.929 17968
3421 1 11 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.203 0.157 17968
3422 1 11 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.922 -1.092 17968
3423 1 11 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.664 1.065 17968
3424 1 11 . 1 1 29 29 ILE H H 27 8.230 8.230 8.313 -0.083 17968
3425 1 11 . 1 1 30 30 LEU N N 28 129.310 129.310 128.803 0.507 17968
3426 1 11 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.611 0.039 17968
3427 1 11 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.769 -1.239 17968
3428 1 11 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.376 1.954 17968
3429 1 11 . 1 1 30 30 LEU H H 28 8.450 8.450 8.530 -0.080 17968
3430 1 11 . 1 1 31 31 GLU N N 29 121.810 121.810 119.276 2.534 17968
3431 1 11 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.952 -0.292 17968
3432 1 11 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.477 0.253 17968
3433 1 11 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.435 0.495 17968
3434 1 11 . 1 1 31 31 GLU H H 29 8.820 8.820 8.558 0.262 17968
3435 1 11 . 1 1 32 32 CYS N N 30 125.510 125.510 121.050 4.460 17968
3436 1 11 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.042 -1.012 17968
3437 1 11 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.331 -1.101 17968
3438 1 11 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.174 3.656 17968
3439 1 11 . 1 1 32 32 CYS H H 30 8.240 8.240 8.783 -0.543 17968
3440 1 11 . 1 1 33 33 VAL N N 31 132.310 132.310 126.475 5.835 17968
3441 1 11 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.250 -0.170 17968
3442 1 11 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.158 0.172 17968
3443 1 11 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.006 -0.376 17968
3444 1 11 . 1 1 33 33 VAL H H 31 8.880 8.880 8.141 0.739 17968
3445 1 11 . 1 1 34 34 TYR N N 32 124.210 124.210 115.920 8.290 17968
3446 1 11 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.510 -0.060 17968
3447 1 11 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.647 1.383 17968
3448 1 11 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.130 0.899 17968
3449 1 11 . 1 1 34 34 TYR H H 32 8.620 8.620 7.492 1.128 17968
3450 1 11 . 1 1 35 35 CYS N N 33 119.810 119.810 115.849 3.961 17968
3451 1 11 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.697 0.103 17968
3452 1 11 . 1 1 35 35 CYS CA C 33 59.330 59.330 58.943 0.387 17968
3453 1 11 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.390 3.840 17968
3454 1 11 . 1 1 35 35 CYS H H 33 8.090 8.090 7.803 0.287 17968
3455 1 11 . 1 1 36 36 LYS N N 34 119.810 119.810 118.763 1.047 17968
3456 1 11 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.136 0.024 17968
3457 1 11 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.948 0.882 17968
3458 1 11 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.826 -1.596 17968
3459 1 11 . 1 1 36 36 LYS H H 34 7.870 7.870 7.806 0.064 17968
3460 1 11 . 1 1 37 37 GLN N N 35 120.610 120.610 117.642 2.968 17968
3461 1 11 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.499 -0.129 17968
3462 1 11 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.513 0.917 17968
3463 1 11 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.533 -0.803 17968
3464 1 11 . 1 1 37 37 GLN H H 35 8.250 8.250 7.953 0.297 17968
3465 1 11 . 1 1 38 38 GLN N N 36 123.610 123.610 124.930 -1.320 17968
3466 1 11 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.253 0.107 17968
3467 1 11 . 1 1 38 38 GLN CA C 36 56.830 56.830 57.273 -0.443 17968
3468 1 11 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.668 0.762 17968
3469 1 11 . 1 1 38 38 GLN H H 36 8.630 8.630 8.632 -0.002 17968
3470 1 11 . 1 1 39 39 LEU N N 37 131.410 131.410 126.154 5.256 17968
3471 1 11 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.308 -0.208 17968
3472 1 11 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.736 2.494 17968
3473 1 11 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.969 -0.840 17968
3474 1 11 . 1 1 39 39 LEU H H 37 8.830 8.830 8.604 0.226 17968
3475 1 11 . 1 1 40 40 LEU N N 38 126.410 126.410 121.869 4.541 17968
3476 1 11 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.478 -0.188 17968
3477 1 11 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.867 0.463 17968
3478 1 11 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.978 -0.048 17968
3479 1 11 . 1 1 40 40 LEU H H 38 9.780 9.780 8.039 1.741 17968
3480 1 11 . 1 1 41 41 ARG N N 39 126.610 126.610 121.531 5.079 17968
3481 1 11 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.849 -0.399 17968
3482 1 11 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.281 -1.351 17968
3483 1 11 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.962 -2.932 17968
3484 1 11 . 1 1 41 41 ARG H H 39 8.880 8.880 8.744 0.136 17968
3485 1 11 . 1 1 42 42 ARG N N 40 116.410 116.410 117.678 -1.268 17968
3486 1 11 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.942 0.058 17968
3487 1 11 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.346 -0.817 17968
3488 1 11 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.572 3.258 17968
3489 1 11 . 1 1 42 42 ARG H H 40 8.590 8.590 8.344 0.246 17968
3490 1 11 . 1 1 43 43 GLU N N 41 117.710 117.710 119.373 -1.663 17968
3491 1 11 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.200 0.060 17968
3492 1 11 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.588 0.342 17968
3493 1 11 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.640 1.889 17968
3494 1 11 . 1 1 43 43 GLU H H 41 6.800 6.800 7.788 -0.988 17968
3495 1 11 . 1 1 44 44 VAL N N 42 124.710 124.710 120.565 4.145 17968
3496 1 11 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.728 -0.548 17968
3497 1 11 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.691 1.839 17968
3498 1 11 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.946 0.384 17968
3499 1 11 . 1 1 44 44 VAL H H 42 7.760 7.760 7.866 -0.106 17968
3500 1 11 . 1 1 45 45 TYR N N 43 118.310 118.310 119.687 -1.377 17968
3501 1 11 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.211 -0.021 17968
3502 1 11 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.158 -0.028 17968
3503 1 11 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.126 1.604 17968
3504 1 11 . 1 1 45 45 TYR H H 43 7.600 7.600 7.481 0.119 17968
3505 1 11 . 1 1 46 46 ASP N N 44 120.910 120.910 120.321 0.589 17968
3506 1 11 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.470 0.240 17968
3507 1 11 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.461 0.569 17968
3508 1 11 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.289 0.541 17968
3509 1 11 . 1 1 46 46 ASP H H 44 8.660 8.660 7.811 0.849 17968
3510 1 11 . 1 1 47 47 PHE N N 45 125.310 125.310 119.371 5.939 17968
3511 1 11 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968
3512 1 11 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.552 1.078 17968
3513 1 11 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.138 -0.108 17968
3514 1 11 . 1 1 47 47 PHE H H 45 8.250 8.250 8.080 0.170 17968
3515 1 11 . 1 1 48 48 ALA N N 46 119.710 119.710 119.737 -0.027 17968
3516 1 11 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.237 0.263 17968
3517 1 11 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.396 0.734 17968
3518 1 11 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.748 -0.018 17968
3519 1 11 . 1 1 48 48 ALA H H 46 7.790 7.790 7.250 0.540 17968
3520 1 11 . 1 1 49 49 PHE N N 47 123.210 123.210 118.865 4.345 17968
3521 1 11 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.362 0.188 17968
3522 1 11 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.986 0.544 17968
3523 1 11 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.971 -0.941 17968
3524 1 11 . 1 1 49 49 PHE H H 47 9.040 9.040 8.075 0.965 17968
3525 1 11 . 1 1 50 50 ARG N N 48 119.810 119.810 118.440 1.370 17968
3526 1 11 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.372 -0.322 17968
3527 1 11 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.103 3.027 17968
3528 1 11 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.625 -0.595 17968
3529 1 11 . 1 1 50 50 ARG H H 48 8.100 8.100 7.682 0.418 17968
3530 1 11 . 1 1 51 51 ASP N N 49 120.910 120.910 121.228 -0.318 17968
3531 1 11 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.559 -0.109 17968
3532 1 11 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.353 0.177 17968
3533 1 11 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.909 0.021 17968
3534 1 11 . 1 1 51 51 ASP H H 49 8.010 8.010 8.470 -0.460 17968
3535 1 11 . 1 1 52 52 LEU N N 50 118.510 118.510 125.012 -6.502 17968
3536 1 11 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.490 -0.320 17968
3537 1 11 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.550 0.680 17968
3538 1 11 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.937 -3.707 17968
3539 1 11 . 1 1 52 52 LEU H H 50 6.720 6.720 7.574 -0.854 17968
3540 1 11 . 1 1 53 53 CYS N N 51 117.410 117.410 118.759 -1.349 17968
3541 1 11 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.852 0.058 17968
3542 1 11 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.029 1.700 17968
3543 1 11 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.789 -1.059 17968
3544 1 11 . 1 1 53 53 CYS H H 51 8.030 8.030 8.316 -0.286 17968
3545 1 11 . 1 1 54 54 ILE N N 52 125.110 125.110 122.921 2.189 17968
3546 1 11 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.231 -0.241 17968
3547 1 11 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.766 -1.836 17968
3548 1 11 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.379 -0.649 17968
3549 1 11 . 1 1 54 54 ILE H H 52 8.450 8.450 8.336 0.114 17968
3550 1 11 . 1 1 55 55 VAL N N 53 127.010 127.010 126.606 0.404 17968
3551 1 11 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.184 0.166 17968
3552 1 11 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.807 -1.177 17968
3553 1 11 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.912 2.318 17968
3554 1 11 . 1 1 55 55 VAL H H 53 8.120 8.120 8.218 -0.098 17968
3555 1 11 . 1 1 56 56 TYR N N 54 125.010 125.010 128.995 -3.985 17968
3556 1 11 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.226 0.154 17968
3557 1 11 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.676 -0.246 17968
3558 1 11 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.356 1.674 17968
3559 1 11 . 1 1 56 56 TYR H H 54 8.710 8.710 8.597 0.113 17968
3560 1 11 . 1 1 57 57 ARG N N 55 123.810 123.810 125.633 -1.823 17968
3561 1 11 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.565 0.065 17968
3562 1 11 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.783 0.547 17968
3563 1 11 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.062 1.768 17968
3564 1 11 . 1 1 57 57 ARG H H 55 8.860 8.860 8.372 0.488 17968
3565 1 11 . 1 1 58 58 ASP N N 56 129.110 129.110 124.029 5.081 17968
3566 1 11 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.340 -0.040 17968
3567 1 11 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.866 -0.136 17968
3568 1 11 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.762 -0.632 17968
3569 1 11 . 1 1 58 58 ASP H H 56 9.630 9.630 9.370 0.260 17968
3570 1 11 . 1 1 59 59 GLY N N 57 104.510 104.510 103.024 1.486 17968
3571 1 11 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.813 0.817 17968
3572 1 11 . 1 1 59 59 GLY H H 57 8.710 8.710 8.098 0.612 17968
3573 1 11 . 1 1 60 60 ASN N N 58 122.110 122.110 121.018 1.092 17968
3574 1 11 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.116 0.264 17968
3575 1 11 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.536 -1.206 17968
3576 1 11 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.792 0.638 17968
3577 1 11 . 1 1 60 60 ASN H H 58 8.130 8.130 8.004 0.126 17968
3578 1 11 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.537 0.233 17968
3579 1 11 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.587 -0.557 17968
3580 1 11 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.045 2.385 17968
3581 1 11 . 1 1 62 62 TYR N N 60 119.910 119.910 124.502 -4.592 17968
3582 1 11 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.983 -0.633 17968
3583 1 11 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.433 1.697 17968
3584 1 11 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.812 1.618 17968
3585 1 11 . 1 1 62 62 TYR H H 60 8.580 8.580 8.101 0.479 17968
3586 1 11 . 1 1 63 63 ALA N N 61 123.710 123.710 122.348 1.362 17968
3587 1 11 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.374 0.006 17968
3588 1 11 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.120 0.210 17968
3589 1 11 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.548 -1.318 17968
3590 1 11 . 1 1 63 63 ALA H H 61 7.980 7.980 8.771 -0.791 17968
3591 1 11 . 1 1 64 64 VAL N N 62 120.610 120.610 117.688 2.922 17968
3592 1 11 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.380 1.100 17968
3593 1 11 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.019 0.311 17968
3594 1 11 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.277 2.953 17968
3595 1 11 . 1 1 64 64 VAL H H 62 6.330 6.330 7.798 -1.468 17968
3596 1 11 . 1 1 65 65 CYS N N 63 130.310 130.310 124.050 6.260 17968
3597 1 11 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.513 0.047 17968
3598 1 11 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.743 0.687 17968
3599 1 11 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.819 2.211 17968
3600 1 11 . 1 1 65 65 CYS H H 63 9.420 9.420 8.697 0.723 17968
3601 1 11 . 1 1 66 66 ASP N N 64 121.110 121.110 121.285 -0.175 17968
3602 1 11 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.196 0.214 17968
3603 1 11 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.350 0.080 17968
3604 1 11 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.079 1.451 17968
3605 1 11 . 1 1 66 66 ASP H H 64 9.040 9.040 9.122 -0.082 17968
3606 1 11 . 1 1 67 67 LYS N N 65 121.910 121.910 118.401 3.509 17968
3607 1 11 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.690 0.300 17968
3608 1 11 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.446 0.684 17968
3609 1 11 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.036 0.794 17968
3610 1 11 . 1 1 67 67 LYS H H 65 8.330 8.330 8.429 -0.099 17968
3611 1 11 . 1 1 68 68 CYS N N 66 125.510 125.510 117.352 8.158 17968
3612 1 11 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.520 -0.410 17968
3613 1 11 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.875 2.855 17968
3614 1 11 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.315 4.315 17968
3615 1 11 . 1 1 68 68 CYS H H 66 8.690 8.690 7.991 0.699 17968
3616 1 11 . 1 1 69 69 LEU N N 67 125.110 125.110 120.979 4.131 17968
3617 1 11 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.140 -0.110 17968
3618 1 11 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.795 0.835 17968
3619 1 11 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.940 0.290 17968
3620 1 11 . 1 1 69 69 LEU H H 67 8.460 8.460 8.339 0.121 17968
3621 1 11 . 1 1 70 70 LYS N N 68 119.210 119.210 116.408 2.802 17968
3622 1 11 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.202 -0.222 17968
3623 1 11 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.155 0.875 17968
3624 1 11 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.425 -0.195 17968
3625 1 11 . 1 1 70 70 LYS H H 68 7.830 7.830 7.387 0.443 17968
3626 1 11 . 1 1 71 71 PHE N N 69 121.710 121.710 117.866 3.844 17968
3627 1 11 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.312 -0.042 17968
3628 1 11 . 1 1 71 71 PHE CA C 69 60.130 60.130 58.967 1.163 17968
3629 1 11 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.844 0.585 17968
3630 1 11 . 1 1 71 71 PHE H H 69 7.810 7.810 7.386 0.424 17968
3631 1 12 . 1 1 4 4 PHE N N 2 122.310 122.310 122.246 0.064 17968
3632 1 12 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.852 -0.232 17968
3633 1 12 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.484 -0.154 17968
3634 1 12 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.904 -2.474 17968
3635 1 12 . 1 1 4 4 PHE H H 2 8.370 8.370 8.693 -0.323 17968
3636 1 12 . 1 1 5 5 GLN N N 3 123.510 123.510 124.132 -0.622 17968
3637 1 12 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.572 -0.382 17968
3638 1 12 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.630 1.400 17968
3639 1 12 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.066 -2.136 17968
3640 1 12 . 1 1 5 5 GLN H H 3 8.250 8.250 8.354 -0.104 17968
3641 1 12 . 1 1 6 6 ASP N N 4 125.010 125.010 118.799 6.211 17968
3642 1 12 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.520 0.320 17968
3643 1 12 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.193 -1.163 17968
3644 1 12 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.650 1.080 17968
3645 1 12 . 1 1 6 6 ASP H H 4 8.410 8.410 8.390 0.020 17968
3646 1 12 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.418 -0.298 17968
3647 1 12 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.937 1.193 17968
3648 1 12 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.914 0.416 17968
3649 1 12 . 1 1 8 8 GLN N N 6 119.710 119.710 120.130 -0.420 17968
3650 1 12 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.331 -0.181 17968
3651 1 12 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.986 1.644 17968
3652 1 12 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.218 1.112 17968
3653 1 12 . 1 1 8 8 GLN H H 6 8.430 8.430 7.346 1.084 17968
3654 1 12 . 1 1 9 9 GLU N N 7 122.110 122.110 124.289 -2.179 17968
3655 1 12 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.127 0.053 17968
3656 1 12 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.535 -0.405 17968
3657 1 12 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.960 0.570 17968
3658 1 12 . 1 1 9 9 GLU H H 7 7.940 7.940 8.833 -0.893 17968
3659 1 12 . 1 1 10 10 ARG N N 8 123.410 123.410 116.589 6.821 17968
3660 1 12 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.284 0.126 17968
3661 1 12 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.633 -1.504 17968
3662 1 12 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.031 1.299 17968
3663 1 12 . 1 1 10 10 ARG H H 8 7.670 7.670 8.182 -0.512 17968
3664 1 12 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.521 -0.181 17968
3665 1 12 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.988 1.542 17968
3666 1 12 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.751 -0.121 17968
3667 1 12 . 1 1 12 12 ARG N N 10 123.810 123.810 120.871 2.939 17968
3668 1 12 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.582 0.078 17968
3669 1 12 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.648 0.182 17968
3670 1 12 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.778 1.752 17968
3671 1 12 . 1 1 12 12 ARG H H 10 8.700 8.700 8.710 -0.010 17968
3672 1 12 . 1 1 13 13 LYS N N 11 118.310 118.310 119.371 -1.061 17968
3673 1 12 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.406 0.644 17968
3674 1 12 . 1 1 13 13 LYS CA C 11 53.230 53.230 55.601 -2.371 17968
3675 1 12 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.090 2.540 17968
3676 1 12 . 1 1 13 13 LYS H H 11 7.810 7.810 7.713 0.097 17968
3677 1 12 . 1 1 14 14 LEU N N 12 124.810 124.810 128.473 -3.663 17968
3678 1 12 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.258 -0.108 17968
3679 1 12 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.665 -0.035 17968
3680 1 12 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.845 0.685 17968
3681 1 12 . 1 1 14 14 LEU H H 12 10.210 10.210 9.065 1.145 17968
3682 1 12 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.175 -0.005 17968
3683 1 12 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.736 1.594 17968
3684 1 12 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.873 -0.343 17968
3685 1 12 . 1 1 16 16 GLN N N 14 117.710 117.710 117.510 0.200 17968
3686 1 12 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.195 -0.035 17968
3687 1 12 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.157 -0.027 17968
3688 1 12 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.427 0.203 17968
3689 1 12 . 1 1 16 16 GLN H H 14 7.100 7.100 7.434 -0.334 17968
3690 1 12 . 1 1 17 17 LEU N N 15 124.610 124.610 121.848 2.762 17968
3691 1 12 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.082 -0.082 17968
3692 1 12 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.887 0.743 17968
3693 1 12 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.489 0.541 17968
3694 1 12 . 1 1 17 17 LEU H H 15 8.020 8.020 8.066 -0.046 17968
3695 1 12 . 1 1 18 18 CYS N N 16 117.210 117.210 117.197 0.013 17968
3696 1 12 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.057 -0.327 17968
3697 1 12 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.752 1.078 17968
3698 1 12 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.470 -0.240 17968
3699 1 12 . 1 1 18 18 CYS H H 16 8.410 8.410 8.018 0.392 17968
3700 1 12 . 1 1 19 19 THR N N 17 117.710 117.710 115.132 2.578 17968
3701 1 12 . 1 1 19 19 THR HA H 17 3.990 3.990 4.104 -0.114 17968
3702 1 12 . 1 1 19 19 THR CA C 17 66.830 66.830 65.624 1.206 17968
3703 1 12 . 1 1 19 19 THR CB C 17 68.830 68.830 68.338 0.492 17968
3704 1 12 . 1 1 19 19 THR H H 17 7.670 7.670 7.935 -0.265 17968
3705 1 12 . 1 1 20 20 GLU N N 18 125.410 125.410 121.367 4.043 17968
3706 1 12 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.295 -0.235 17968
3707 1 12 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.157 0.673 17968
3708 1 12 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.477 0.152 17968
3709 1 12 . 1 1 20 20 GLU H H 18 7.980 7.980 8.371 -0.391 17968
3710 1 12 . 1 1 21 21 LEU N N 19 118.810 118.810 117.799 1.011 17968
3711 1 12 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.545 -0.255 17968
3712 1 12 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.039 -0.109 17968
3713 1 12 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.574 -0.344 17968
3714 1 12 . 1 1 21 21 LEU H H 19 7.990 7.990 7.702 0.288 17968
3715 1 12 . 1 1 22 22 GLN N N 20 118.310 118.310 117.116 1.194 17968
3716 1 12 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.119 -0.179 17968
3717 1 12 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.169 -0.539 17968
3718 1 12 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.242 -0.112 17968
3719 1 12 . 1 1 22 22 GLN H H 20 7.850 7.850 7.594 0.256 17968
3720 1 12 . 1 1 23 23 THR N N 21 115.810 115.810 113.140 2.670 17968
3721 1 12 . 1 1 23 23 THR HA H 21 4.920 4.920 4.804 0.116 17968
3722 1 12 . 1 1 23 23 THR CA C 21 58.730 58.730 60.887 -2.157 17968
3723 1 12 . 1 1 23 23 THR CB C 21 70.330 70.330 70.150 0.180 17968
3724 1 12 . 1 1 23 23 THR H H 21 8.210 8.210 8.568 -0.358 17968
3725 1 12 . 1 1 24 24 THR N N 22 112.810 112.810 112.664 0.146 17968
3726 1 12 . 1 1 24 24 THR HA H 22 4.860 4.860 4.843 0.017 17968
3727 1 12 . 1 1 24 24 THR CA C 22 59.830 59.830 60.075 -0.245 17968
3728 1 12 . 1 1 24 24 THR CB C 22 74.030 74.030 71.313 2.717 17968
3729 1 12 . 1 1 24 24 THR H H 22 8.620 8.620 8.071 0.549 17968
3730 1 12 . 1 1 25 25 ILE N N 23 124.310 124.310 116.327 7.983 17968
3731 1 12 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.897 -0.237 17968
3732 1 12 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.601 0.129 17968
3733 1 12 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.659 0.571 17968
3734 1 12 . 1 1 25 25 ILE H H 23 9.020 9.020 8.232 0.788 17968
3735 1 12 . 1 1 26 26 HIS N N 24 119.210 119.210 113.033 6.177 17968
3736 1 12 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.808 -0.428 17968
3737 1 12 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.154 0.276 17968
3738 1 12 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.500 0.230 17968
3739 1 12 . 1 1 26 26 HIS H H 24 6.870 6.870 7.651 -0.781 17968
3740 1 12 . 1 1 27 27 ASP N N 25 116.510 116.510 119.087 -2.577 17968
3741 1 12 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.701 0.049 17968
3742 1 12 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.043 0.387 17968
3743 1 12 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.713 1.617 17968
3744 1 12 . 1 1 27 27 ASP H H 25 7.220 7.220 7.618 -0.398 17968
3745 1 12 . 1 1 28 28 ILE N N 26 123.310 123.310 121.341 1.969 17968
3746 1 12 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.013 -0.113 17968
3747 1 12 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.219 0.911 17968
3748 1 12 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.648 -0.718 17968
3749 1 12 . 1 1 28 28 ILE H H 26 7.690 7.690 7.662 0.028 17968
3750 1 12 . 1 1 29 29 ILE N N 27 130.910 130.910 129.752 1.158 17968
3751 1 12 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.103 0.257 17968
3752 1 12 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.029 -1.198 17968
3753 1 12 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.595 2.135 17968
3754 1 12 . 1 1 29 29 ILE H H 27 8.230 8.230 8.341 -0.111 17968
3755 1 12 . 1 1 30 30 LEU N N 28 129.310 129.310 129.267 0.043 17968
3756 1 12 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.648 0.002 17968
3757 1 12 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.873 -1.343 17968
3758 1 12 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.500 2.830 17968
3759 1 12 . 1 1 30 30 LEU H H 28 8.450 8.450 7.971 0.479 17968
3760 1 12 . 1 1 31 31 GLU N N 29 121.810 121.810 121.578 0.232 17968
3761 1 12 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.837 -0.177 17968
3762 1 12 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.875 -0.145 17968
3763 1 12 . 1 1 31 31 GLU CB C 29 32.930 32.930 33.142 -0.211 17968
3764 1 12 . 1 1 31 31 GLU H H 29 8.820 8.820 8.764 0.056 17968
3765 1 12 . 1 1 32 32 CYS N N 30 125.510 125.510 120.478 5.032 17968
3766 1 12 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.639 -0.609 17968
3767 1 12 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.773 -1.543 17968
3768 1 12 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.738 4.092 17968
3769 1 12 . 1 1 32 32 CYS H H 30 8.240 8.240 8.778 -0.538 17968
3770 1 12 . 1 1 33 33 VAL N N 31 132.310 132.310 127.151 5.159 17968
3771 1 12 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.375 -0.295 17968
3772 1 12 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.192 0.138 17968
3773 1 12 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.057 -0.427 17968
3774 1 12 . 1 1 33 33 VAL H H 31 8.880 8.880 8.382 0.498 17968
3775 1 12 . 1 1 34 34 TYR N N 32 124.210 124.210 118.129 6.081 17968
3776 1 12 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.440 0.010 17968
3777 1 12 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.271 -0.241 17968
3778 1 12 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.834 1.196 17968
3779 1 12 . 1 1 34 34 TYR H H 32 8.620 8.620 7.513 1.107 17968
3780 1 12 . 1 1 35 35 CYS N N 33 119.810 119.810 115.050 4.760 17968
3781 1 12 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.354 0.447 17968
3782 1 12 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.677 -0.347 17968
3783 1 12 . 1 1 35 35 CYS CB C 33 32.230 32.230 26.767 5.463 17968
3784 1 12 . 1 1 35 35 CYS H H 33 8.090 8.090 7.962 0.128 17968
3785 1 12 . 1 1 36 36 LYS N N 34 119.810 119.810 114.897 4.913 17968
3786 1 12 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.867 0.293 17968
3787 1 12 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.822 1.008 17968
3788 1 12 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.375 -0.145 17968
3789 1 12 . 1 1 36 36 LYS H H 34 7.870 7.870 8.194 -0.324 17968
3790 1 12 . 1 1 37 37 GLN N N 35 120.610 120.610 115.484 5.126 17968
3791 1 12 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.440 -0.070 17968
3792 1 12 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.919 0.511 17968
3793 1 12 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.571 0.159 17968
3794 1 12 . 1 1 37 37 GLN H H 35 8.250 8.250 7.798 0.452 17968
3795 1 12 . 1 1 38 38 GLN N N 36 123.610 123.610 123.755 -0.145 17968
3796 1 12 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.118 0.242 17968
3797 1 12 . 1 1 38 38 GLN CA C 36 56.830 56.830 55.776 1.054 17968
3798 1 12 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.304 0.126 17968
3799 1 12 . 1 1 38 38 GLN H H 36 8.630 8.630 8.582 0.048 17968
3800 1 12 . 1 1 39 39 LEU N N 37 131.410 131.410 128.063 3.347 17968
3801 1 12 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.147 -0.047 17968
3802 1 12 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.856 1.374 17968
3803 1 12 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.550 -0.419 17968
3804 1 12 . 1 1 39 39 LEU H H 37 8.830 8.830 8.100 0.730 17968
3805 1 12 . 1 1 40 40 LEU N N 38 126.410 126.410 124.112 2.298 17968
3806 1 12 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.488 -0.198 17968
3807 1 12 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.240 0.090 17968
3808 1 12 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.928 -0.998 17968
3809 1 12 . 1 1 40 40 LEU H H 38 9.780 9.780 8.111 1.669 17968
3810 1 12 . 1 1 41 41 ARG N N 39 126.610 126.610 121.689 4.921 17968
3811 1 12 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.655 -0.205 17968
3812 1 12 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.939 -2.009 17968
3813 1 12 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.940 -2.910 17968
3814 1 12 . 1 1 41 41 ARG H H 39 8.880 8.880 8.788 0.092 17968
3815 1 12 . 1 1 42 42 ARG N N 40 116.410 116.410 118.262 -1.852 17968
3816 1 12 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.131 -0.131 17968
3817 1 12 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.619 -0.089 17968
3818 1 12 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.146 3.684 17968
3819 1 12 . 1 1 42 42 ARG H H 40 8.590 8.590 8.449 0.141 17968
3820 1 12 . 1 1 43 43 GLU N N 41 117.710 117.710 118.872 -1.162 17968
3821 1 12 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.146 0.114 17968
3822 1 12 . 1 1 43 43 GLU CA C 41 58.930 58.930 59.498 -0.568 17968
3823 1 12 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.780 1.750 17968
3824 1 12 . 1 1 43 43 GLU H H 41 6.800 6.800 8.446 -1.646 17968
3825 1 12 . 1 1 44 44 VAL N N 42 124.710 124.710 119.735 4.975 17968
3826 1 12 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.630 -0.450 17968
3827 1 12 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.233 1.297 17968
3828 1 12 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.487 -0.157 17968
3829 1 12 . 1 1 44 44 VAL H H 42 7.760 7.760 7.941 -0.181 17968
3830 1 12 . 1 1 45 45 TYR N N 43 118.310 118.310 118.710 -0.400 17968
3831 1 12 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.272 -0.082 17968
3832 1 12 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.433 0.697 17968
3833 1 12 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.206 1.524 17968
3834 1 12 . 1 1 45 45 TYR H H 43 7.600 7.600 7.404 0.196 17968
3835 1 12 . 1 1 46 46 ASP N N 44 120.910 120.910 120.348 0.562 17968
3836 1 12 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.382 0.328 17968
3837 1 12 . 1 1 46 46 ASP CA C 44 58.030 58.030 58.130 -0.100 17968
3838 1 12 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.780 0.050 17968
3839 1 12 . 1 1 46 46 ASP H H 44 8.660 8.660 8.324 0.336 17968
3840 1 12 . 1 1 47 47 PHE N N 45 125.310 125.310 120.605 4.705 17968
3841 1 12 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.243 -0.313 17968
3842 1 12 . 1 1 47 47 PHE CA C 45 62.630 62.630 60.867 1.763 17968
3843 1 12 . 1 1 47 47 PHE CB C 45 39.030 39.030 38.973 0.057 17968
3844 1 12 . 1 1 47 47 PHE H H 45 8.250 8.250 7.915 0.335 17968
3845 1 12 . 1 1 48 48 ALA N N 46 119.710 119.710 122.316 -2.606 17968
3846 1 12 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.212 0.288 17968
3847 1 12 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.088 0.042 17968
3848 1 12 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.441 0.289 17968
3849 1 12 . 1 1 48 48 ALA H H 46 7.790 7.790 7.611 0.179 17968
3850 1 12 . 1 1 49 49 PHE N N 47 123.210 123.210 116.949 6.261 17968
3851 1 12 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.390 0.160 17968
3852 1 12 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.113 0.417 17968
3853 1 12 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.505 -0.475 17968
3854 1 12 . 1 1 49 49 PHE H H 47 9.040 9.040 7.818 1.222 17968
3855 1 12 . 1 1 50 50 ARG N N 48 119.810 119.810 118.863 0.947 17968
3856 1 12 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.553 -0.503 17968
3857 1 12 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.824 2.306 17968
3858 1 12 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.301 -1.271 17968
3859 1 12 . 1 1 50 50 ARG H H 48 8.100 8.100 7.323 0.777 17968
3860 1 12 . 1 1 51 51 ASP N N 49 120.910 120.910 119.827 1.083 17968
3861 1 12 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.431 0.019 17968
3862 1 12 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.563 -0.033 17968
3863 1 12 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.599 -0.669 17968
3864 1 12 . 1 1 51 51 ASP H H 49 8.010 8.010 8.491 -0.481 17968
3865 1 12 . 1 1 52 52 LEU N N 50 118.510 118.510 121.740 -3.230 17968
3866 1 12 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.055 0.115 17968
3867 1 12 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.189 -0.959 17968
3868 1 12 . 1 1 52 52 LEU CB C 50 41.230 41.230 42.044 -0.814 17968
3869 1 12 . 1 1 52 52 LEU H H 50 6.720 6.720 7.444 -0.724 17968
3870 1 12 . 1 1 53 53 CYS N N 51 117.410 117.410 121.371 -3.961 17968
3871 1 12 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.369 0.541 17968
3872 1 12 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.164 1.566 17968
3873 1 12 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.025 -0.295 17968
3874 1 12 . 1 1 53 53 CYS H H 51 8.030 8.030 7.849 0.181 17968
3875 1 12 . 1 1 54 54 ILE N N 52 125.110 125.110 120.555 4.555 17968
3876 1 12 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.323 -0.333 17968
3877 1 12 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.325 -1.395 17968
3878 1 12 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.537 -0.807 17968
3879 1 12 . 1 1 54 54 ILE H H 52 8.450 8.450 8.351 0.099 17968
3880 1 12 . 1 1 55 55 VAL N N 53 127.010 127.010 121.313 5.697 17968
3881 1 12 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.554 -0.204 17968
3882 1 12 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.163 -0.532 17968
3883 1 12 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.297 1.933 17968
3884 1 12 . 1 1 55 55 VAL H H 53 8.120 8.120 8.166 -0.046 17968
3885 1 12 . 1 1 56 56 TYR N N 54 125.010 125.010 127.773 -2.763 17968
3886 1 12 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.039 0.341 17968
3887 1 12 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.745 -0.315 17968
3888 1 12 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.123 1.907 17968
3889 1 12 . 1 1 56 56 TYR H H 54 8.710 8.710 8.756 -0.046 17968
3890 1 12 . 1 1 57 57 ARG N N 55 123.810 123.810 126.020 -2.210 17968
3891 1 12 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.418 0.212 17968
3892 1 12 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.145 0.185 17968
3893 1 12 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.090 2.740 17968
3894 1 12 . 1 1 57 57 ARG H H 55 8.860 8.860 8.215 0.645 17968
3895 1 12 . 1 1 58 58 ASP N N 56 129.110 129.110 125.117 3.993 17968
3896 1 12 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.316 -0.016 17968
3897 1 12 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.497 -0.767 17968
3898 1 12 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.381 -0.251 17968
3899 1 12 . 1 1 58 58 ASP H H 56 9.630 9.630 8.882 0.748 17968
3900 1 12 . 1 1 59 59 GLY N N 57 104.510 104.510 105.547 -1.037 17968
3901 1 12 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.536 0.094 17968
3902 1 12 . 1 1 59 59 GLY H H 57 8.710 8.710 8.412 0.298 17968
3903 1 12 . 1 1 60 60 ASN N N 58 122.110 122.110 119.425 2.685 17968
3904 1 12 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.212 0.168 17968
3905 1 12 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.453 -0.123 17968
3906 1 12 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.850 -1.420 17968
3907 1 12 . 1 1 60 60 ASN H H 58 8.130 8.130 7.998 0.132 17968
3908 1 12 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.773 -0.003 17968
3909 1 12 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.672 -0.642 17968
3910 1 12 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.814 2.616 17968
3911 1 12 . 1 1 62 62 TYR N N 60 119.910 119.910 124.435 -4.525 17968
3912 1 12 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.659 -0.309 17968
3913 1 12 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.541 1.589 17968
3914 1 12 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.349 1.081 17968
3915 1 12 . 1 1 62 62 TYR H H 60 8.580 8.580 7.898 0.682 17968
3916 1 12 . 1 1 63 63 ALA N N 61 123.710 123.710 119.417 4.293 17968
3917 1 12 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.689 -0.309 17968
3918 1 12 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.187 0.143 17968
3919 1 12 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.618 -1.388 17968
3920 1 12 . 1 1 63 63 ALA H H 61 7.980 7.980 9.026 -1.046 17968
3921 1 12 . 1 1 64 64 VAL N N 62 120.610 120.610 117.946 2.664 17968
3922 1 12 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.287 1.193 17968
3923 1 12 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.631 0.699 17968
3924 1 12 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.299 1.931 17968
3925 1 12 . 1 1 64 64 VAL H H 62 6.330 6.330 7.496 -1.166 17968
3926 1 12 . 1 1 65 65 CYS N N 63 130.310 130.310 124.228 6.082 17968
3927 1 12 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.530 0.030 17968
3928 1 12 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.962 0.468 17968
3929 1 12 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.051 2.979 17968
3930 1 12 . 1 1 65 65 CYS H H 63 9.420 9.420 8.426 0.994 17968
3931 1 12 . 1 1 66 66 ASP N N 64 121.110 121.110 121.110 0.000 17968
3932 1 12 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.293 0.117 17968
3933 1 12 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.128 0.302 17968
3934 1 12 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.734 1.796 17968
3935 1 12 . 1 1 66 66 ASP H H 64 9.040 9.040 8.810 0.230 17968
3936 1 12 . 1 1 67 67 LYS N N 65 121.910 121.910 119.336 2.574 17968
3937 1 12 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.127 -0.137 17968
3938 1 12 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.072 1.058 17968
3939 1 12 . 1 1 67 67 LYS CB C 65 32.830 32.830 31.887 0.943 17968
3940 1 12 . 1 1 67 67 LYS H H 65 8.330 8.330 8.430 -0.100 17968
3941 1 12 . 1 1 68 68 CYS N N 66 125.510 125.510 117.714 7.796 17968
3942 1 12 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.700 -0.590 17968
3943 1 12 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.872 2.858 17968
3944 1 12 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.881 4.749 17968
3945 1 12 . 1 1 68 68 CYS H H 66 8.690 8.690 7.818 0.872 17968
3946 1 12 . 1 1 69 69 LEU N N 67 125.110 125.110 123.426 1.684 17968
3947 1 12 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.226 -0.196 17968
3948 1 12 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.249 0.381 17968
3949 1 12 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.124 0.106 17968
3950 1 12 . 1 1 69 69 LEU H H 67 8.460 8.460 8.619 -0.159 17968
3951 1 12 . 1 1 70 70 LYS N N 68 119.210 119.210 117.884 1.326 17968
3952 1 12 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.171 -0.191 17968
3953 1 12 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.418 0.612 17968
3954 1 12 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.341 -0.111 17968
3955 1 12 . 1 1 70 70 LYS H H 68 7.830 7.830 7.830 -0.000 17968
3956 1 12 . 1 1 71 71 PHE N N 69 121.710 121.710 118.266 3.444 17968
3957 1 12 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.286 -0.016 17968
3958 1 12 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.939 0.191 17968
3959 1 12 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.252 0.178 17968
3960 1 12 . 1 1 71 71 PHE H H 69 7.810 7.810 7.526 0.284 17968
3961 1 13 . 1 1 4 4 PHE N N 2 122.310 122.310 123.567 -1.257 17968
3962 1 13 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.961 -0.341 17968
3963 1 13 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.089 -0.759 17968
3964 1 13 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.193 -1.763 17968
3965 1 13 . 1 1 4 4 PHE H H 2 8.370 8.370 9.215 -0.845 17968
3966 1 13 . 1 1 5 5 GLN N N 3 123.510 123.510 122.855 0.655 17968
3967 1 13 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.501 -0.311 17968
3968 1 13 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.706 2.324 17968
3969 1 13 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.069 -0.139 17968
3970 1 13 . 1 1 5 5 GLN H H 3 8.250 8.250 7.857 0.393 17968
3971 1 13 . 1 1 6 6 ASP N N 4 125.010 125.010 119.984 5.026 17968
3972 1 13 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.436 0.404 17968
3973 1 13 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.927 -1.897 17968
3974 1 13 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.169 0.561 17968
3975 1 13 . 1 1 6 6 ASP H H 4 8.410 8.410 8.337 0.073 17968
3976 1 13 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.392 -0.272 17968
3977 1 13 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.106 1.024 17968
3978 1 13 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.269 0.062 17968
3979 1 13 . 1 1 8 8 GLN N N 6 119.710 119.710 119.800 -0.090 17968
3980 1 13 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.107 0.043 17968
3981 1 13 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.110 0.520 17968
3982 1 13 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.489 1.841 17968
3983 1 13 . 1 1 8 8 GLN H H 6 8.430 8.430 7.492 0.938 17968
3984 1 13 . 1 1 9 9 GLU N N 7 122.110 122.110 125.017 -2.907 17968
3985 1 13 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.180 0.000 17968
3986 1 13 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.329 -0.199 17968
3987 1 13 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.172 0.358 17968
3988 1 13 . 1 1 9 9 GLU H H 7 7.940 7.940 8.647 -0.707 17968
3989 1 13 . 1 1 10 10 ARG N N 8 123.410 123.410 116.445 6.965 17968
3990 1 13 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.203 0.207 17968
3991 1 13 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.776 -1.646 17968
3992 1 13 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.183 2.147 17968
3993 1 13 . 1 1 10 10 ARG H H 8 7.670 7.670 8.260 -0.590 17968
3994 1 13 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.668 -0.328 17968
3995 1 13 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.884 1.646 17968
3996 1 13 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.742 -0.112 17968
3997 1 13 . 1 1 12 12 ARG N N 10 123.810 123.810 120.429 3.381 17968
3998 1 13 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.626 0.034 17968
3999 1 13 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.449 0.381 17968
4000 1 13 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.670 1.860 17968
4001 1 13 . 1 1 12 12 ARG H H 10 8.700 8.700 8.820 -0.120 17968
4002 1 13 . 1 1 13 13 LYS N N 11 118.310 118.310 119.703 -1.393 17968
4003 1 13 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.686 0.364 17968
4004 1 13 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.838 -0.608 17968
4005 1 13 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.833 1.797 17968
4006 1 13 . 1 1 13 13 LYS H H 11 7.810 7.810 7.707 0.103 17968
4007 1 13 . 1 1 14 14 LEU N N 12 124.810 124.810 128.381 -3.571 17968
4008 1 13 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.311 -0.161 17968
4009 1 13 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.440 0.190 17968
4010 1 13 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.784 0.746 17968
4011 1 13 . 1 1 14 14 LEU H H 12 10.210 10.210 9.238 0.972 17968
4012 1 13 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.163 0.007 17968
4013 1 13 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.782 1.548 17968
4014 1 13 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.979 -0.449 17968
4015 1 13 . 1 1 16 16 GLN N N 14 117.710 117.710 117.023 0.687 17968
4016 1 13 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.240 -0.080 17968
4017 1 13 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.803 1.327 17968
4018 1 13 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.017 -0.387 17968
4019 1 13 . 1 1 16 16 GLN H H 14 7.100 7.100 7.620 -0.520 17968
4020 1 13 . 1 1 17 17 LEU N N 15 124.610 124.610 122.958 1.652 17968
4021 1 13 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.200 -0.200 17968
4022 1 13 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.032 0.598 17968
4023 1 13 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.733 0.297 17968
4024 1 13 . 1 1 17 17 LEU H H 15 8.020 8.020 8.193 -0.173 17968
4025 1 13 . 1 1 18 18 CYS N N 16 117.210 117.210 115.964 1.246 17968
4026 1 13 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.124 -0.394 17968
4027 1 13 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.849 0.981 17968
4028 1 13 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.162 0.068 17968
4029 1 13 . 1 1 18 18 CYS H H 16 8.410 8.410 8.256 0.154 17968
4030 1 13 . 1 1 19 19 THR N N 17 117.710 117.710 115.814 1.896 17968
4031 1 13 . 1 1 19 19 THR HA H 17 3.990 3.990 4.130 -0.140 17968
4032 1 13 . 1 1 19 19 THR CA C 17 66.830 66.830 66.962 -0.132 17968
4033 1 13 . 1 1 19 19 THR CB C 17 68.830 68.830 68.559 0.271 17968
4034 1 13 . 1 1 19 19 THR H H 17 7.670 7.670 7.559 0.111 17968
4035 1 13 . 1 1 20 20 GLU N N 18 125.410 125.410 120.850 4.560 17968
4036 1 13 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.183 -0.123 17968
4037 1 13 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.194 0.636 17968
4038 1 13 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.654 -0.024 17968
4039 1 13 . 1 1 20 20 GLU H H 18 7.980 7.980 7.615 0.365 17968
4040 1 13 . 1 1 21 21 LEU N N 19 118.810 118.810 118.637 0.173 17968
4041 1 13 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.428 -0.138 17968
4042 1 13 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.841 -0.911 17968
4043 1 13 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.928 -0.698 17968
4044 1 13 . 1 1 21 21 LEU H H 19 7.990 7.990 8.125 -0.135 17968
4045 1 13 . 1 1 22 22 GLN N N 20 118.310 118.310 117.232 1.078 17968
4046 1 13 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.003 -0.063 17968
4047 1 13 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.263 -0.633 17968
4048 1 13 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.224 -0.094 17968
4049 1 13 . 1 1 22 22 GLN H H 20 7.850 7.850 7.673 0.177 17968
4050 1 13 . 1 1 23 23 THR N N 21 115.810 115.810 113.208 2.602 17968
4051 1 13 . 1 1 23 23 THR HA H 21 4.920 4.920 4.779 0.141 17968
4052 1 13 . 1 1 23 23 THR CA C 21 58.730 58.730 61.201 -2.471 17968
4053 1 13 . 1 1 23 23 THR CB C 21 70.330 70.330 70.505 -0.175 17968
4054 1 13 . 1 1 23 23 THR H H 21 8.210 8.210 8.615 -0.405 17968
4055 1 13 . 1 1 24 24 THR N N 22 112.810 112.810 112.073 0.737 17968
4056 1 13 . 1 1 24 24 THR HA H 22 4.860 4.860 4.942 -0.082 17968
4057 1 13 . 1 1 24 24 THR CA C 22 59.830 59.830 59.614 0.216 17968
4058 1 13 . 1 1 24 24 THR CB C 22 74.030 74.030 71.220 2.810 17968
4059 1 13 . 1 1 24 24 THR H H 22 8.620 8.620 8.075 0.545 17968
4060 1 13 . 1 1 25 25 ILE N N 23 124.310 124.310 116.611 7.699 17968
4061 1 13 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.993 -0.333 17968
4062 1 13 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.444 0.286 17968
4063 1 13 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.382 0.848 17968
4064 1 13 . 1 1 25 25 ILE H H 23 9.020 9.020 8.643 0.377 17968
4065 1 13 . 1 1 26 26 HIS N N 24 119.210 119.210 115.101 4.109 17968
4066 1 13 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.830 -0.450 17968
4067 1 13 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.451 -0.021 17968
4068 1 13 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.448 0.282 17968
4069 1 13 . 1 1 26 26 HIS H H 24 6.870 6.870 7.595 -0.725 17968
4070 1 13 . 1 1 27 27 ASP N N 25 116.510 116.510 118.355 -1.845 17968
4071 1 13 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.678 0.072 17968
4072 1 13 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.607 -0.177 17968
4073 1 13 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.349 0.981 17968
4074 1 13 . 1 1 27 27 ASP H H 25 7.220 7.220 7.596 -0.376 17968
4075 1 13 . 1 1 28 28 ILE N N 26 123.310 123.310 122.892 0.418 17968
4076 1 13 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.966 -0.066 17968
4077 1 13 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.364 0.766 17968
4078 1 13 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.540 -0.610 17968
4079 1 13 . 1 1 28 28 ILE H H 26 7.690 7.690 7.588 0.102 17968
4080 1 13 . 1 1 29 29 ILE N N 27 130.910 130.910 129.321 1.589 17968
4081 1 13 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.181 0.179 17968
4082 1 13 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.449 -0.619 17968
4083 1 13 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.850 -0.120 17968
4084 1 13 . 1 1 29 29 ILE H H 27 8.230 8.230 8.207 0.023 17968
4085 1 13 . 1 1 30 30 LEU N N 28 129.310 129.310 128.828 0.482 17968
4086 1 13 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.448 0.202 17968
4087 1 13 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.595 -1.065 17968
4088 1 13 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.737 3.593 17968
4089 1 13 . 1 1 30 30 LEU H H 28 8.450 8.450 8.549 -0.099 17968
4090 1 13 . 1 1 31 31 GLU N N 29 121.810 121.810 118.022 3.788 17968
4091 1 13 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.014 -0.354 17968
4092 1 13 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.402 0.328 17968
4093 1 13 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.306 0.624 17968
4094 1 13 . 1 1 31 31 GLU H H 29 8.820 8.820 8.278 0.542 17968
4095 1 13 . 1 1 32 32 CYS N N 30 125.510 125.510 122.060 3.450 17968
4096 1 13 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.915 -0.885 17968
4097 1 13 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.397 -1.167 17968
4098 1 13 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.121 3.709 17968
4099 1 13 . 1 1 32 32 CYS H H 30 8.240 8.240 8.750 -0.510 17968
4100 1 13 . 1 1 33 33 VAL N N 31 132.310 132.310 126.634 5.676 17968
4101 1 13 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.433 -0.353 17968
4102 1 13 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.790 -0.460 17968
4103 1 13 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.916 -0.286 17968
4104 1 13 . 1 1 33 33 VAL H H 31 8.880 8.880 8.162 0.718 17968
4105 1 13 . 1 1 34 34 TYR N N 32 124.210 124.210 114.802 9.408 17968
4106 1 13 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.548 -0.098 17968
4107 1 13 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.709 1.321 17968
4108 1 13 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.130 0.900 17968
4109 1 13 . 1 1 34 34 TYR H H 32 8.620 8.620 7.340 1.280 17968
4110 1 13 . 1 1 35 35 CYS N N 33 119.810 119.810 115.796 4.014 17968
4111 1 13 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.416 0.384 17968
4112 1 13 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.239 0.091 17968
4113 1 13 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.359 4.871 17968
4114 1 13 . 1 1 35 35 CYS H H 33 8.090 8.090 7.728 0.362 17968
4115 1 13 . 1 1 36 36 LYS N N 34 119.810 119.810 115.675 4.135 17968
4116 1 13 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.257 -0.097 17968
4117 1 13 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.310 0.520 17968
4118 1 13 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.760 -1.530 17968
4119 1 13 . 1 1 36 36 LYS H H 34 7.870 7.870 7.674 0.196 17968
4120 1 13 . 1 1 37 37 GLN N N 35 120.610 120.610 116.450 4.160 17968
4121 1 13 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.436 -0.066 17968
4122 1 13 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.553 0.877 17968
4123 1 13 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.870 -0.140 17968
4124 1 13 . 1 1 37 37 GLN H H 35 8.250 8.250 7.948 0.302 17968
4125 1 13 . 1 1 38 38 GLN N N 36 123.610 123.610 121.510 2.100 17968
4126 1 13 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.367 -0.007 17968
4127 1 13 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.204 0.626 17968
4128 1 13 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.039 0.391 17968
4129 1 13 . 1 1 38 38 GLN H H 36 8.630 8.630 8.493 0.137 17968
4130 1 13 . 1 1 39 39 LEU N N 37 131.410 131.410 127.101 4.309 17968
4131 1 13 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.208 -0.108 17968
4132 1 13 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.947 2.283 17968
4133 1 13 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.500 -0.370 17968
4134 1 13 . 1 1 39 39 LEU H H 37 8.830 8.830 8.381 0.449 17968
4135 1 13 . 1 1 40 40 LEU N N 38 126.410 126.410 122.816 3.594 17968
4136 1 13 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.373 -0.083 17968
4137 1 13 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.234 0.096 17968
4138 1 13 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.602 0.328 17968
4139 1 13 . 1 1 40 40 LEU H H 38 9.780 9.780 8.103 1.677 17968
4140 1 13 . 1 1 41 41 ARG N N 39 126.610 126.610 122.107 4.503 17968
4141 1 13 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.726 -0.276 17968
4142 1 13 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.677 -1.747 17968
4143 1 13 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.997 -2.967 17968
4144 1 13 . 1 1 41 41 ARG H H 39 8.880 8.880 8.722 0.158 17968
4145 1 13 . 1 1 42 42 ARG N N 40 116.410 116.410 117.689 -1.279 17968
4146 1 13 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.185 -0.185 17968
4147 1 13 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.301 -0.771 17968
4148 1 13 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.837 2.993 17968
4149 1 13 . 1 1 42 42 ARG H H 40 8.590 8.590 8.586 0.004 17968
4150 1 13 . 1 1 43 43 GLU N N 41 117.710 117.710 118.795 -1.085 17968
4151 1 13 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.168 0.092 17968
4152 1 13 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.663 0.267 17968
4153 1 13 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.196 1.334 17968
4154 1 13 . 1 1 43 43 GLU H H 41 6.800 6.800 7.717 -0.917 17968
4155 1 13 . 1 1 44 44 VAL N N 42 124.710 124.710 120.345 4.365 17968
4156 1 13 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.520 -0.340 17968
4157 1 13 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.509 1.021 17968
4158 1 13 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.269 0.061 17968
4159 1 13 . 1 1 44 44 VAL H H 42 7.760 7.760 7.761 -0.001 17968
4160 1 13 . 1 1 45 45 TYR N N 43 118.310 118.310 117.706 0.604 17968
4161 1 13 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.228 -0.038 17968
4162 1 13 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.855 -0.725 17968
4163 1 13 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.326 1.404 17968
4164 1 13 . 1 1 45 45 TYR H H 43 7.600 7.600 7.312 0.288 17968
4165 1 13 . 1 1 46 46 ASP N N 44 120.910 120.910 120.806 0.104 17968
4166 1 13 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.448 0.262 17968
4167 1 13 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.079 0.951 17968
4168 1 13 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.675 0.155 17968
4169 1 13 . 1 1 46 46 ASP H H 44 8.660 8.660 7.690 0.970 17968
4170 1 13 . 1 1 47 47 PHE N N 45 125.310 125.310 120.537 4.773 17968
4171 1 13 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968
4172 1 13 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.367 1.263 17968
4173 1 13 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.293 -0.263 17968
4174 1 13 . 1 1 47 47 PHE H H 45 8.250 8.250 8.395 -0.145 17968
4175 1 13 . 1 1 48 48 ALA N N 46 119.710 119.710 121.417 -1.707 17968
4176 1 13 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.168 0.332 17968
4177 1 13 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.015 0.115 17968
4178 1 13 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.669 0.061 17968
4179 1 13 . 1 1 48 48 ALA H H 46 7.790 7.790 7.590 0.200 17968
4180 1 13 . 1 1 49 49 PHE N N 47 123.210 123.210 118.619 4.591 17968
4181 1 13 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.299 0.251 17968
4182 1 13 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.890 -0.360 17968
4183 1 13 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.777 -0.747 17968
4184 1 13 . 1 1 49 49 PHE H H 47 9.040 9.040 8.044 0.996 17968
4185 1 13 . 1 1 50 50 ARG N N 48 119.810 119.810 118.539 1.271 17968
4186 1 13 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.459 -0.409 17968
4187 1 13 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.036 2.094 17968
4188 1 13 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.136 -0.106 17968
4189 1 13 . 1 1 50 50 ARG H H 48 8.100 8.100 7.683 0.417 17968
4190 1 13 . 1 1 51 51 ASP N N 49 120.910 120.910 121.852 -0.942 17968
4191 1 13 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.530 -0.080 17968
4192 1 13 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.114 0.416 17968
4193 1 13 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.111 -0.181 17968
4194 1 13 . 1 1 51 51 ASP H H 49 8.010 8.010 8.580 -0.570 17968
4195 1 13 . 1 1 52 52 LEU N N 50 118.510 118.510 122.436 -3.926 17968
4196 1 13 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.534 -0.364 17968
4197 1 13 . 1 1 52 52 LEU CA C 50 54.230 54.230 54.427 -0.197 17968
4198 1 13 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.527 -4.297 17968
4199 1 13 . 1 1 52 52 LEU H H 50 6.720 6.720 7.657 -0.937 17968
4200 1 13 . 1 1 53 53 CYS N N 51 117.410 117.410 118.047 -0.637 17968
4201 1 13 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.406 -0.496 17968
4202 1 13 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.379 1.351 17968
4203 1 13 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.494 -2.764 17968
4204 1 13 . 1 1 53 53 CYS H H 51 8.030 8.030 8.367 -0.337 17968
4205 1 13 . 1 1 54 54 ILE N N 52 125.110 125.110 123.814 1.296 17968
4206 1 13 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.285 -0.295 17968
4207 1 13 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.562 -1.632 17968
4208 1 13 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.719 -0.989 17968
4209 1 13 . 1 1 54 54 ILE H H 52 8.450 8.450 8.734 -0.284 17968
4210 1 13 . 1 1 55 55 VAL N N 53 127.010 127.010 121.099 5.911 17968
4211 1 13 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.531 -0.181 17968
4212 1 13 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.325 0.305 17968
4213 1 13 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.991 1.239 17968
4214 1 13 . 1 1 55 55 VAL H H 53 8.120 8.120 7.924 0.196 17968
4215 1 13 . 1 1 56 56 TYR N N 54 125.010 125.010 126.305 -1.295 17968
4216 1 13 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.099 0.281 17968
4217 1 13 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.446 -0.016 17968
4218 1 13 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.077 1.953 17968
4219 1 13 . 1 1 56 56 TYR H H 54 8.710 8.710 8.739 -0.029 17968
4220 1 13 . 1 1 57 57 ARG N N 55 123.810 123.810 125.803 -1.993 17968
4221 1 13 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.164 0.466 17968
4222 1 13 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.117 -0.787 17968
4223 1 13 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.802 3.028 17968
4224 1 13 . 1 1 57 57 ARG H H 55 8.860 8.860 8.521 0.339 17968
4225 1 13 . 1 1 58 58 ASP N N 56 129.110 129.110 125.677 3.433 17968
4226 1 13 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.295 0.005 17968
4227 1 13 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.302 -0.572 17968
4228 1 13 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.329 -0.199 17968
4229 1 13 . 1 1 58 58 ASP H H 56 9.630 9.630 8.778 0.852 17968
4230 1 13 . 1 1 59 59 GLY N N 57 104.510 104.510 105.989 -1.479 17968
4231 1 13 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.690 -0.059 17968
4232 1 13 . 1 1 59 59 GLY H H 57 8.710 8.710 8.382 0.328 17968
4233 1 13 . 1 1 60 60 ASN N N 58 122.110 122.110 118.092 4.018 17968
4234 1 13 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.427 -0.047 17968
4235 1 13 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.597 -0.267 17968
4236 1 13 . 1 1 60 60 ASN CB C 58 40.430 40.430 42.326 -1.896 17968
4237 1 13 . 1 1 60 60 ASN H H 58 8.130 8.130 7.864 0.266 17968
4238 1 13 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.760 0.010 17968
4239 1 13 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.017 -0.987 17968
4240 1 13 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.841 2.589 17968
4241 1 13 . 1 1 62 62 TYR N N 60 119.910 119.910 124.444 -4.534 17968
4242 1 13 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.877 -0.527 17968
4243 1 13 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.728 1.401 17968
4244 1 13 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.989 1.441 17968
4245 1 13 . 1 1 62 62 TYR H H 60 8.580 8.580 7.398 1.182 17968
4246 1 13 . 1 1 63 63 ALA N N 61 123.710 123.710 122.997 0.713 17968
4247 1 13 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.437 -0.057 17968
4248 1 13 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.641 -0.311 17968
4249 1 13 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.211 -0.981 17968
4250 1 13 . 1 1 63 63 ALA H H 61 7.980 7.980 8.928 -0.948 17968
4251 1 13 . 1 1 64 64 VAL N N 62 120.610 120.610 117.926 2.684 17968
4252 1 13 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.259 1.221 17968
4253 1 13 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.065 0.265 17968
4254 1 13 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.107 3.123 17968
4255 1 13 . 1 1 64 64 VAL H H 62 6.330 6.330 8.039 -1.709 17968
4256 1 13 . 1 1 65 65 CYS N N 63 130.310 130.310 123.898 6.412 17968
4257 1 13 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.632 -0.072 17968
4258 1 13 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.147 1.283 17968
4259 1 13 . 1 1 65 65 CYS CB C 63 31.030 31.030 30.072 0.958 17968
4260 1 13 . 1 1 65 65 CYS H H 63 9.420 9.420 8.734 0.686 17968
4261 1 13 . 1 1 66 66 ASP N N 64 121.110 121.110 119.349 1.761 17968
4262 1 13 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.361 0.049 17968
4263 1 13 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.217 1.213 17968
4264 1 13 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.563 1.967 17968
4265 1 13 . 1 1 66 66 ASP H H 64 9.040 9.040 9.007 0.033 17968
4266 1 13 . 1 1 67 67 LYS N N 65 121.910 121.910 120.372 1.538 17968
4267 1 13 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.325 -0.335 17968
4268 1 13 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.086 1.044 17968
4269 1 13 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.617 0.213 17968
4270 1 13 . 1 1 67 67 LYS H H 65 8.330 8.330 8.250 0.080 17968
4271 1 13 . 1 1 68 68 CYS N N 66 125.510 125.510 119.327 6.183 17968
4272 1 13 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.634 -0.524 17968
4273 1 13 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.696 2.034 17968
4274 1 13 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.816 4.814 17968
4275 1 13 . 1 1 68 68 CYS H H 66 8.690 8.690 7.842 0.848 17968
4276 1 13 . 1 1 69 69 LEU N N 67 125.110 125.110 122.091 3.019 17968
4277 1 13 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.199 -0.169 17968
4278 1 13 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.284 0.346 17968
4279 1 13 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.277 -0.047 17968
4280 1 13 . 1 1 69 69 LEU H H 67 8.460 8.460 8.364 0.096 17968
4281 1 13 . 1 1 70 70 LYS N N 68 119.210 119.210 117.556 1.654 17968
4282 1 13 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.181 -0.201 17968
4283 1 13 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.828 1.202 17968
4284 1 13 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.486 -0.256 17968
4285 1 13 . 1 1 70 70 LYS H H 68 7.830 7.830 7.967 -0.137 17968
4286 1 13 . 1 1 71 71 PHE N N 69 121.710 121.710 118.958 2.752 17968
4287 1 13 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.326 -0.056 17968
4288 1 13 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.803 -0.673 17968
4289 1 13 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.859 -0.429 17968
4290 1 13 . 1 1 71 71 PHE H H 69 7.810 7.810 7.932 -0.122 17968
4291 1 14 . 1 1 4 4 PHE N N 2 122.310 122.310 120.221 2.089 17968
4292 1 14 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.961 -0.341 17968
4293 1 14 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.981 0.349 17968
4294 1 14 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.462 -2.032 17968
4295 1 14 . 1 1 4 4 PHE H H 2 8.370 8.370 8.253 0.117 17968
4296 1 14 . 1 1 5 5 GLN N N 3 123.510 123.510 121.145 2.365 17968
4297 1 14 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.463 -0.273 17968
4298 1 14 . 1 1 5 5 GLN CA C 3 56.030 56.030 55.433 0.597 17968
4299 1 14 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.506 -0.576 17968
4300 1 14 . 1 1 5 5 GLN H H 3 8.250 8.250 9.565 -1.315 17968
4301 1 14 . 1 1 6 6 ASP N N 4 125.010 125.010 119.093 5.917 17968
4302 1 14 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.736 0.104 17968
4303 1 14 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.752 0.278 17968
4304 1 14 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.321 -0.591 17968
4305 1 14 . 1 1 6 6 ASP H H 4 8.410 8.410 8.302 0.108 17968
4306 1 14 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.495 -0.375 17968
4307 1 14 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.693 0.437 17968
4308 1 14 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.388 -0.057 17968
4309 1 14 . 1 1 8 8 GLN N N 6 119.710 119.710 119.117 0.593 17968
4310 1 14 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.306 -0.156 17968
4311 1 14 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.438 1.192 17968
4312 1 14 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.894 2.436 17968
4313 1 14 . 1 1 8 8 GLN H H 6 8.430 8.430 8.307 0.123 17968
4314 1 14 . 1 1 9 9 GLU N N 7 122.110 122.110 121.353 0.757 17968
4315 1 14 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.244 -0.064 17968
4316 1 14 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.699 -0.569 17968
4317 1 14 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.277 0.253 17968
4318 1 14 . 1 1 9 9 GLU H H 7 7.940 7.940 8.005 -0.065 17968
4319 1 14 . 1 1 10 10 ARG N N 8 123.410 123.410 117.858 5.552 17968
4320 1 14 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.359 0.051 17968
4321 1 14 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.314 1.816 17968
4322 1 14 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.279 0.051 17968
4323 1 14 . 1 1 10 10 ARG H H 8 7.670 7.670 7.431 0.239 17968
4324 1 14 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.721 -0.381 17968
4325 1 14 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.987 1.543 17968
4326 1 14 . 1 1 11 11 PRO CB C 9 32.630 32.630 34.374 -1.744 17968
4327 1 14 . 1 1 12 12 ARG N N 10 123.810 123.810 118.378 5.432 17968
4328 1 14 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.668 -0.008 17968
4329 1 14 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.911 0.919 17968
4330 1 14 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.078 1.452 17968
4331 1 14 . 1 1 12 12 ARG H H 10 8.700 8.700 8.481 0.219 17968
4332 1 14 . 1 1 13 13 LYS N N 11 118.310 118.310 119.117 -0.807 17968
4333 1 14 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.602 0.448 17968
4334 1 14 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.562 -1.331 17968
4335 1 14 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.324 1.306 17968
4336 1 14 . 1 1 13 13 LYS H H 11 7.810 7.810 7.836 -0.026 17968
4337 1 14 . 1 1 14 14 LEU N N 12 124.810 124.810 128.221 -3.411 17968
4338 1 14 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.204 -0.054 17968
4339 1 14 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.559 0.071 17968
4340 1 14 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.770 0.760 17968
4341 1 14 . 1 1 14 14 LEU H H 12 10.210 10.210 9.138 1.072 17968
4342 1 14 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.179 -0.009 17968
4343 1 14 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.028 1.302 17968
4344 1 14 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.770 -0.240 17968
4345 1 14 . 1 1 16 16 GLN N N 14 117.710 117.710 117.275 0.435 17968
4346 1 14 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.114 0.046 17968
4347 1 14 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.004 0.126 17968
4348 1 14 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.180 0.450 17968
4349 1 14 . 1 1 16 16 GLN H H 14 7.100 7.100 8.401 -1.301 17968
4350 1 14 . 1 1 17 17 LEU N N 15 124.610 124.610 121.951 2.659 17968
4351 1 14 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.025 -0.025 17968
4352 1 14 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.165 0.465 17968
4353 1 14 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.834 0.196 17968
4354 1 14 . 1 1 17 17 LEU H H 15 8.020 8.020 8.305 -0.285 17968
4355 1 14 . 1 1 18 18 CYS N N 16 117.210 117.210 116.833 0.377 17968
4356 1 14 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.114 -0.384 17968
4357 1 14 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.821 1.009 17968
4358 1 14 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.344 -0.114 17968
4359 1 14 . 1 1 18 18 CYS H H 16 8.410 8.410 8.510 -0.100 17968
4360 1 14 . 1 1 19 19 THR N N 17 117.710 117.710 116.873 0.837 17968
4361 1 14 . 1 1 19 19 THR HA H 17 3.990 3.990 4.086 -0.096 17968
4362 1 14 . 1 1 19 19 THR CA C 17 66.830 66.830 66.619 0.211 17968
4363 1 14 . 1 1 19 19 THR CB C 17 68.830 68.830 68.594 0.236 17968
4364 1 14 . 1 1 19 19 THR H H 17 7.670 7.670 7.791 -0.121 17968
4365 1 14 . 1 1 20 20 GLU N N 18 125.410 125.410 120.725 4.685 17968
4366 1 14 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.301 -0.241 17968
4367 1 14 . 1 1 20 20 GLU CA C 18 59.830 59.830 57.820 2.010 17968
4368 1 14 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.601 0.029 17968
4369 1 14 . 1 1 20 20 GLU H H 18 7.980 7.980 8.101 -0.121 17968
4370 1 14 . 1 1 21 21 LEU N N 19 118.810 118.810 118.391 0.419 17968
4371 1 14 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.347 -0.057 17968
4372 1 14 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.873 0.057 17968
4373 1 14 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.700 -0.471 17968
4374 1 14 . 1 1 21 21 LEU H H 19 7.990 7.990 7.941 0.049 17968
4375 1 14 . 1 1 22 22 GLN N N 20 118.310 118.310 117.032 1.278 17968
4376 1 14 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.003 -0.063 17968
4377 1 14 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.040 -0.410 17968
4378 1 14 . 1 1 22 22 GLN CB C 20 26.130 26.130 27.061 -0.931 17968
4379 1 14 . 1 1 22 22 GLN H H 20 7.850 7.850 7.695 0.155 17968
4380 1 14 . 1 1 23 23 THR N N 21 115.810 115.810 112.715 3.095 17968
4381 1 14 . 1 1 23 23 THR HA H 21 4.920 4.920 4.754 0.166 17968
4382 1 14 . 1 1 23 23 THR CA C 21 58.730 58.730 61.055 -2.325 17968
4383 1 14 . 1 1 23 23 THR CB C 21 70.330 70.330 70.817 -0.487 17968
4384 1 14 . 1 1 23 23 THR H H 21 8.210 8.210 8.442 -0.232 17968
4385 1 14 . 1 1 24 24 THR N N 22 112.810 112.810 115.503 -2.693 17968
4386 1 14 . 1 1 24 24 THR HA H 22 4.860 4.860 4.903 -0.043 17968
4387 1 14 . 1 1 24 24 THR CA C 22 59.830 59.830 60.285 -0.455 17968
4388 1 14 . 1 1 24 24 THR CB C 22 74.030 74.030 70.294 3.736 17968
4389 1 14 . 1 1 24 24 THR H H 22 8.620 8.620 8.118 0.502 17968
4390 1 14 . 1 1 25 25 ILE N N 23 124.310 124.310 119.885 4.425 17968
4391 1 14 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.828 -0.168 17968
4392 1 14 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.114 -0.384 17968
4393 1 14 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.725 0.505 17968
4394 1 14 . 1 1 25 25 ILE H H 23 9.020 9.020 8.751 0.269 17968
4395 1 14 . 1 1 26 26 HIS N N 24 119.210 119.210 114.366 4.844 17968
4396 1 14 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.791 -0.411 17968
4397 1 14 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.500 -1.070 17968
4398 1 14 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.950 0.780 17968
4399 1 14 . 1 1 26 26 HIS H H 24 6.870 6.870 8.181 -1.311 17968
4400 1 14 . 1 1 27 27 ASP N N 25 116.510 116.510 119.919 -3.409 17968
4401 1 14 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.692 0.058 17968
4402 1 14 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.188 0.242 17968
4403 1 14 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.588 1.742 17968
4404 1 14 . 1 1 27 27 ASP H H 25 7.220 7.220 7.855 -0.635 17968
4405 1 14 . 1 1 28 28 ILE N N 26 123.310 123.310 122.565 0.745 17968
4406 1 14 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.970 -0.070 17968
4407 1 14 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.507 0.623 17968
4408 1 14 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.471 -0.541 17968
4409 1 14 . 1 1 28 28 ILE H H 26 7.690 7.690 7.614 0.076 17968
4410 1 14 . 1 1 29 29 ILE N N 27 130.910 130.910 129.670 1.240 17968
4411 1 14 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.085 0.275 17968
4412 1 14 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.389 -1.558 17968
4413 1 14 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.919 1.811 17968
4414 1 14 . 1 1 29 29 ILE H H 27 8.230 8.230 8.467 -0.237 17968
4415 1 14 . 1 1 30 30 LEU N N 28 129.310 129.310 129.699 -0.389 17968
4416 1 14 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.779 -0.129 17968
4417 1 14 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.577 -1.047 17968
4418 1 14 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.106 3.224 17968
4419 1 14 . 1 1 30 30 LEU H H 28 8.450 8.450 8.007 0.443 17968
4420 1 14 . 1 1 31 31 GLU N N 29 121.810 121.810 122.271 -0.461 17968
4421 1 14 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.665 -0.005 17968
4422 1 14 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.895 -0.165 17968
4423 1 14 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.123 1.807 17968
4424 1 14 . 1 1 31 31 GLU H H 29 8.820 8.820 8.457 0.363 17968
4425 1 14 . 1 1 32 32 CYS N N 30 125.510 125.510 120.147 5.363 17968
4426 1 14 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.888 -0.858 17968
4427 1 14 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.469 -1.239 17968
4428 1 14 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.131 3.699 17968
4429 1 14 . 1 1 32 32 CYS H H 30 8.240 8.240 8.504 -0.264 17968
4430 1 14 . 1 1 33 33 VAL N N 31 132.310 132.310 126.763 5.547 17968
4431 1 14 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.612 -0.532 17968
4432 1 14 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.801 -0.471 17968
4433 1 14 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.860 -0.230 17968
4434 1 14 . 1 1 33 33 VAL H H 31 8.880 8.880 8.409 0.471 17968
4435 1 14 . 1 1 34 34 TYR N N 32 124.210 124.210 116.816 7.394 17968
4436 1 14 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.629 -0.179 17968
4437 1 14 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.920 1.110 17968
4438 1 14 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.294 0.736 17968
4439 1 14 . 1 1 34 34 TYR H H 32 8.620 8.620 7.541 1.079 17968
4440 1 14 . 1 1 35 35 CYS N N 33 119.810 119.810 116.689 3.121 17968
4441 1 14 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.444 0.356 17968
4442 1 14 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.308 0.022 17968
4443 1 14 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.666 4.564 17968
4444 1 14 . 1 1 35 35 CYS H H 33 8.090 8.090 7.852 0.238 17968
4445 1 14 . 1 1 36 36 LYS N N 34 119.810 119.810 117.255 2.555 17968
4446 1 14 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.903 0.257 17968
4447 1 14 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.905 0.925 17968
4448 1 14 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.747 -1.517 17968
4449 1 14 . 1 1 36 36 LYS H H 34 7.870 7.870 7.715 0.155 17968
4450 1 14 . 1 1 37 37 GLN N N 35 120.610 120.610 116.851 3.759 17968
4451 1 14 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.465 -0.095 17968
4452 1 14 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.715 0.715 17968
4453 1 14 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.171 -0.441 17968
4454 1 14 . 1 1 37 37 GLN H H 35 8.250 8.250 7.851 0.399 17968
4455 1 14 . 1 1 38 38 GLN N N 36 123.610 123.610 123.244 0.366 17968
4456 1 14 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.261 0.099 17968
4457 1 14 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.091 0.739 17968
4458 1 14 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.181 0.249 17968
4459 1 14 . 1 1 38 38 GLN H H 36 8.630 8.630 8.554 0.076 17968
4460 1 14 . 1 1 39 39 LEU N N 37 131.410 131.410 127.895 3.515 17968
4461 1 14 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.356 -0.256 17968
4462 1 14 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.459 2.771 17968
4463 1 14 . 1 1 39 39 LEU CB C 37 42.130 42.130 43.070 -0.940 17968
4464 1 14 . 1 1 39 39 LEU H H 37 8.830 8.830 7.859 0.971 17968
4465 1 14 . 1 1 40 40 LEU N N 38 126.410 126.410 121.688 4.722 17968
4466 1 14 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.422 -0.132 17968
4467 1 14 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.986 0.344 17968
4468 1 14 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.024 -0.094 17968
4469 1 14 . 1 1 40 40 LEU H H 38 9.780 9.780 8.338 1.442 17968
4470 1 14 . 1 1 41 41 ARG N N 39 126.610 126.610 121.154 5.456 17968
4471 1 14 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.721 -0.271 17968
4472 1 14 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.884 -0.954 17968
4473 1 14 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.503 -2.473 17968
4474 1 14 . 1 1 41 41 ARG H H 39 8.880 8.880 8.767 0.113 17968
4475 1 14 . 1 1 42 42 ARG N N 40 116.410 116.410 118.188 -1.778 17968
4476 1 14 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.770 0.230 17968
4477 1 14 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.877 -0.347 17968
4478 1 14 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.485 3.345 17968
4479 1 14 . 1 1 42 42 ARG H H 40 8.590 8.590 8.387 0.203 17968
4480 1 14 . 1 1 43 43 GLU N N 41 117.710 117.710 118.466 -0.756 17968
4481 1 14 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.144 0.116 17968
4482 1 14 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.367 0.563 17968
4483 1 14 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.797 1.732 17968
4484 1 14 . 1 1 43 43 GLU H H 41 6.800 6.800 7.709 -0.909 17968
4485 1 14 . 1 1 44 44 VAL N N 42 124.710 124.710 120.302 4.408 17968
4486 1 14 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.693 -0.513 17968
4487 1 14 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.449 2.081 17968
4488 1 14 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.977 0.353 17968
4489 1 14 . 1 1 44 44 VAL H H 42 7.760 7.760 7.435 0.325 17968
4490 1 14 . 1 1 45 45 TYR N N 43 118.310 118.310 118.716 -0.406 17968
4491 1 14 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.223 -0.033 17968
4492 1 14 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.359 -0.229 17968
4493 1 14 . 1 1 45 45 TYR CB C 43 38.730 38.730 36.432 2.298 17968
4494 1 14 . 1 1 45 45 TYR H H 43 7.600 7.600 7.379 0.221 17968
4495 1 14 . 1 1 46 46 ASP N N 44 120.910 120.910 120.754 0.156 17968
4496 1 14 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.511 0.199 17968
4497 1 14 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.339 0.691 17968
4498 1 14 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.162 0.668 17968
4499 1 14 . 1 1 46 46 ASP H H 44 8.660 8.660 7.884 0.776 17968
4500 1 14 . 1 1 47 47 PHE N N 45 125.310 125.310 119.295 6.015 17968
4501 1 14 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.243 -0.313 17968
4502 1 14 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.612 1.018 17968
4503 1 14 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.176 -0.146 17968
4504 1 14 . 1 1 47 47 PHE H H 45 8.250 8.250 7.851 0.399 17968
4505 1 14 . 1 1 48 48 ALA N N 46 119.710 119.710 121.250 -1.540 17968
4506 1 14 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.231 0.269 17968
4507 1 14 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.950 0.180 17968
4508 1 14 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.665 0.065 17968
4509 1 14 . 1 1 48 48 ALA H H 46 7.790 7.790 7.232 0.558 17968
4510 1 14 . 1 1 49 49 PHE N N 47 123.210 123.210 119.318 3.892 17968
4511 1 14 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.291 0.259 17968
4512 1 14 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.104 -0.574 17968
4513 1 14 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.852 -0.822 17968
4514 1 14 . 1 1 49 49 PHE H H 47 9.040 9.040 8.448 0.592 17968
4515 1 14 . 1 1 50 50 ARG N N 48 119.810 119.810 118.192 1.618 17968
4516 1 14 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.407 -0.357 17968
4517 1 14 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.711 2.419 17968
4518 1 14 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.193 -0.163 17968
4519 1 14 . 1 1 50 50 ARG H H 48 8.100 8.100 7.877 0.223 17968
4520 1 14 . 1 1 51 51 ASP N N 49 120.910 120.910 121.146 -0.236 17968
4521 1 14 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.576 -0.126 17968
4522 1 14 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.425 0.105 17968
4523 1 14 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.525 -0.595 17968
4524 1 14 . 1 1 51 51 ASP H H 49 8.010 8.010 8.509 -0.499 17968
4525 1 14 . 1 1 52 52 LEU N N 50 118.510 118.510 125.108 -6.598 17968
4526 1 14 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.566 -0.396 17968
4527 1 14 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.202 1.028 17968
4528 1 14 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.610 -3.380 17968
4529 1 14 . 1 1 52 52 LEU H H 50 6.720 6.720 8.085 -1.365 17968
4530 1 14 . 1 1 53 53 CYS N N 51 117.410 117.410 118.769 -1.359 17968
4531 1 14 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.813 0.097 17968
4532 1 14 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.582 1.148 17968
4533 1 14 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.006 -1.276 17968
4534 1 14 . 1 1 53 53 CYS H H 51 8.030 8.030 8.197 -0.167 17968
4535 1 14 . 1 1 54 54 ILE N N 52 125.110 125.110 123.918 1.192 17968
4536 1 14 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.087 -0.097 17968
4537 1 14 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.707 -1.777 17968
4538 1 14 . 1 1 54 54 ILE CB C 52 37.730 37.730 37.977 -0.247 17968
4539 1 14 . 1 1 54 54 ILE H H 52 8.450 8.450 8.735 -0.285 17968
4540 1 14 . 1 1 55 55 VAL N N 53 127.010 127.010 126.271 0.739 17968
4541 1 14 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.161 0.189 17968
4542 1 14 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.219 -0.589 17968
4543 1 14 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.631 2.599 17968
4544 1 14 . 1 1 55 55 VAL H H 53 8.120 8.120 8.026 0.094 17968
4545 1 14 . 1 1 56 56 TYR N N 54 125.010 125.010 128.214 -3.204 17968
4546 1 14 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.939 0.441 17968
4547 1 14 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.230 0.200 17968
4548 1 14 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.734 2.296 17968
4549 1 14 . 1 1 56 56 TYR H H 54 8.710 8.710 8.426 0.284 17968
4550 1 14 . 1 1 57 57 ARG N N 55 123.810 123.810 125.405 -1.595 17968
4551 1 14 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.440 0.190 17968
4552 1 14 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.172 0.158 17968
4553 1 14 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.872 1.958 17968
4554 1 14 . 1 1 57 57 ARG H H 55 8.860 8.860 8.063 0.797 17968
4555 1 14 . 1 1 58 58 ASP N N 56 129.110 129.110 125.524 3.586 17968
4556 1 14 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.306 -0.006 17968
4557 1 14 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.002 -0.272 17968
4558 1 14 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.369 -0.239 17968
4559 1 14 . 1 1 58 58 ASP H H 56 9.630 9.630 9.017 0.613 17968
4560 1 14 . 1 1 59 59 GLY N N 57 104.510 104.510 104.616 -0.106 17968
4561 1 14 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.205 0.425 17968
4562 1 14 . 1 1 59 59 GLY H H 57 8.710 8.710 8.203 0.507 17968
4563 1 14 . 1 1 60 60 ASN N N 58 122.110 122.110 121.545 0.565 17968
4564 1 14 . 1 1 60 60 ASN HA H 58 5.380 5.380 4.984 0.396 17968
4565 1 14 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.464 -1.134 17968
4566 1 14 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.960 0.470 17968
4567 1 14 . 1 1 60 60 ASN H H 58 8.130 8.130 7.637 0.493 17968
4568 1 14 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.268 -0.498 17968
4569 1 14 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.732 -0.702 17968
4570 1 14 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.631 1.798 17968
4571 1 14 . 1 1 62 62 TYR N N 60 119.910 119.910 123.690 -3.780 17968
4572 1 14 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.539 -0.189 17968
4573 1 14 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.135 1.995 17968
4574 1 14 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.174 1.256 17968
4575 1 14 . 1 1 62 62 TYR H H 60 8.580 8.580 8.385 0.195 17968
4576 1 14 . 1 1 63 63 ALA N N 61 123.710 123.710 120.239 3.471 17968
4577 1 14 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.329 0.051 17968
4578 1 14 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.011 -0.681 17968
4579 1 14 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.100 -0.870 17968
4580 1 14 . 1 1 63 63 ALA H H 61 7.980 7.980 9.079 -1.099 17968
4581 1 14 . 1 1 64 64 VAL N N 62 120.610 120.610 116.744 3.866 17968
4582 1 14 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.415 1.065 17968
4583 1 14 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.179 0.151 17968
4584 1 14 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.316 1.914 17968
4585 1 14 . 1 1 64 64 VAL H H 62 6.330 6.330 8.229 -1.899 17968
4586 1 14 . 1 1 65 65 CYS N N 63 130.310 130.310 123.516 6.794 17968
4587 1 14 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.609 -0.049 17968
4588 1 14 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.492 0.938 17968
4589 1 14 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.517 1.513 17968
4590 1 14 . 1 1 65 65 CYS H H 63 9.420 9.420 8.414 1.006 17968
4591 1 14 . 1 1 66 66 ASP N N 64 121.110 121.110 121.031 0.079 17968
4592 1 14 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.236 0.174 17968
4593 1 14 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.619 -0.189 17968
4594 1 14 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.929 1.601 17968
4595 1 14 . 1 1 66 66 ASP H H 64 9.040 9.040 9.071 -0.031 17968
4596 1 14 . 1 1 67 67 LYS N N 65 121.910 121.910 118.225 3.685 17968
4597 1 14 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.130 -0.140 17968
4598 1 14 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.421 0.709 17968
4599 1 14 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.448 0.382 17968
4600 1 14 . 1 1 67 67 LYS H H 65 8.330 8.330 8.532 -0.202 17968
4601 1 14 . 1 1 68 68 CYS N N 66 125.510 125.510 117.570 7.940 17968
4602 1 14 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.740 -0.630 17968
4603 1 14 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.757 2.973 17968
4604 1 14 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.560 4.070 17968
4605 1 14 . 1 1 68 68 CYS H H 66 8.690 8.690 8.084 0.606 17968
4606 1 14 . 1 1 69 69 LEU N N 67 125.110 125.110 122.327 2.783 17968
4607 1 14 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.135 -0.105 17968
4608 1 14 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.023 0.607 17968
4609 1 14 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.898 0.332 17968
4610 1 14 . 1 1 69 69 LEU H H 67 8.460 8.460 8.875 -0.415 17968
4611 1 14 . 1 1 70 70 LYS N N 68 119.210 119.210 116.764 2.446 17968
4612 1 14 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.144 -0.164 17968
4613 1 14 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.584 0.446 17968
4614 1 14 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.304 -0.074 17968
4615 1 14 . 1 1 70 70 LYS H H 68 7.830 7.830 7.890 -0.060 17968
4616 1 14 . 1 1 71 71 PHE N N 69 121.710 121.710 118.822 2.888 17968
4617 1 14 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.336 -0.066 17968
4618 1 14 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.994 0.136 17968
4619 1 14 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.539 -0.109 17968
4620 1 14 . 1 1 71 71 PHE H H 69 7.810 7.810 7.506 0.304 17968
4621 1 15 . 1 1 4 4 PHE N N 2 122.310 122.310 122.931 -0.621 17968
4622 1 15 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.714 -0.094 17968
4623 1 15 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.923 -0.593 17968
4624 1 15 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.510 -1.080 17968
4625 1 15 . 1 1 4 4 PHE H H 2 8.370 8.370 8.467 -0.097 17968
4626 1 15 . 1 1 5 5 GLN N N 3 123.510 123.510 118.586 4.924 17968
4627 1 15 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.690 -0.500 17968
4628 1 15 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.986 2.044 17968
4629 1 15 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.579 -1.649 17968
4630 1 15 . 1 1 5 5 GLN H H 3 8.250 8.250 8.542 -0.292 17968
4631 1 15 . 1 1 6 6 ASP N N 4 125.010 125.010 119.881 5.129 17968
4632 1 15 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.762 0.078 17968
4633 1 15 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.357 -0.327 17968
4634 1 15 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.272 0.458 17968
4635 1 15 . 1 1 6 6 ASP H H 4 8.410 8.410 8.572 -0.162 17968
4636 1 15 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.547 -0.427 17968
4637 1 15 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.873 1.257 17968
4638 1 15 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.892 0.438 17968
4639 1 15 . 1 1 8 8 GLN N N 6 119.710 119.710 121.236 -1.526 17968
4640 1 15 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.313 -0.163 17968
4641 1 15 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.121 0.509 17968
4642 1 15 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.069 1.261 17968
4643 1 15 . 1 1 8 8 GLN H H 6 8.430 8.430 7.966 0.464 17968
4644 1 15 . 1 1 9 9 GLU N N 7 122.110 122.110 124.059 -1.949 17968
4645 1 15 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.140 0.040 17968
4646 1 15 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.845 0.285 17968
4647 1 15 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.951 0.579 17968
4648 1 15 . 1 1 9 9 GLU H H 7 7.940 7.940 8.125 -0.185 17968
4649 1 15 . 1 1 10 10 ARG N N 8 123.410 123.410 115.370 8.040 17968
4650 1 15 . 1 1 10 10 ARG HA H 8 4.410 4.410 3.778 0.632 17968
4651 1 15 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.935 -1.805 17968
4652 1 15 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.905 1.425 17968
4653 1 15 . 1 1 10 10 ARG H H 8 7.670 7.670 7.983 -0.313 17968
4654 1 15 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.722 -0.382 17968
4655 1 15 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.254 0.276 17968
4656 1 15 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.437 0.193 17968
4657 1 15 . 1 1 12 12 ARG N N 10 123.810 123.810 113.958 9.852 17968
4658 1 15 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.896 -0.236 17968
4659 1 15 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.072 1.758 17968
4660 1 15 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.933 -0.403 17968
4661 1 15 . 1 1 12 12 ARG H H 10 8.700 8.700 8.286 0.414 17968
4662 1 15 . 1 1 13 13 LYS N N 11 118.310 118.310 119.445 -1.135 17968
4663 1 15 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.896 0.154 17968
4664 1 15 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.970 -0.740 17968
4665 1 15 . 1 1 13 13 LYS CB C 11 35.630 35.630 35.555 0.075 17968
4666 1 15 . 1 1 13 13 LYS H H 11 7.810 7.810 7.485 0.325 17968
4667 1 15 . 1 1 14 14 LEU N N 12 124.810 124.810 125.264 -0.454 17968
4668 1 15 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.259 -0.109 17968
4669 1 15 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.486 0.145 17968
4670 1 15 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.969 0.561 17968
4671 1 15 . 1 1 14 14 LEU H H 12 10.210 10.210 9.322 0.888 17968
4672 1 15 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.167 0.003 17968
4673 1 15 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.897 1.433 17968
4674 1 15 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.009 -0.479 17968
4675 1 15 . 1 1 16 16 GLN N N 14 117.710 117.710 116.566 1.144 17968
4676 1 15 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.181 -0.021 17968
4677 1 15 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.846 0.284 17968
4678 1 15 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.526 0.104 17968
4679 1 15 . 1 1 16 16 GLN H H 14 7.100 7.100 8.349 -1.249 17968
4680 1 15 . 1 1 17 17 LEU N N 15 124.610 124.610 121.493 3.117 17968
4681 1 15 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.147 -0.147 17968
4682 1 15 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.596 1.034 17968
4683 1 15 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.893 0.137 17968
4684 1 15 . 1 1 17 17 LEU H H 15 8.020 8.020 7.789 0.231 17968
4685 1 15 . 1 1 18 18 CYS N N 16 117.210 117.210 117.388 -0.178 17968
4686 1 15 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.126 -0.396 17968
4687 1 15 . 1 1 18 18 CYS CA C 16 64.830 64.830 62.534 2.296 17968
4688 1 15 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.955 0.275 17968
4689 1 15 . 1 1 18 18 CYS H H 16 8.410 8.410 8.467 -0.057 17968
4690 1 15 . 1 1 19 19 THR N N 17 117.710 117.710 113.463 4.247 17968
4691 1 15 . 1 1 19 19 THR HA H 17 3.990 3.990 4.163 -0.173 17968
4692 1 15 . 1 1 19 19 THR CA C 17 66.830 66.830 65.914 0.916 17968
4693 1 15 . 1 1 19 19 THR CB C 17 68.830 68.830 68.328 0.502 17968
4694 1 15 . 1 1 19 19 THR H H 17 7.670 7.670 7.732 -0.062 17968
4695 1 15 . 1 1 20 20 GLU N N 18 125.410 125.410 120.404 5.006 17968
4696 1 15 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.279 -0.219 17968
4697 1 15 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.834 0.996 17968
4698 1 15 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.181 0.449 17968
4699 1 15 . 1 1 20 20 GLU H H 18 7.980 7.980 7.532 0.448 17968
4700 1 15 . 1 1 21 21 LEU N N 19 118.810 118.810 118.943 -0.133 17968
4701 1 15 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.385 -0.095 17968
4702 1 15 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.766 0.164 17968
4703 1 15 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.939 -0.709 17968
4704 1 15 . 1 1 21 21 LEU H H 19 7.990 7.990 7.658 0.332 17968
4705 1 15 . 1 1 22 22 GLN N N 20 118.310 118.310 115.566 2.744 17968
4706 1 15 . 1 1 22 22 GLN HA H 20 3.940 3.940 3.939 0.001 17968
4707 1 15 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.116 -0.486 17968
4708 1 15 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.274 -0.144 17968
4709 1 15 . 1 1 22 22 GLN H H 20 7.850 7.850 8.049 -0.199 17968
4710 1 15 . 1 1 23 23 THR N N 21 115.810 115.810 112.329 3.481 17968
4711 1 15 . 1 1 23 23 THR HA H 21 4.920 4.920 4.731 0.189 17968
4712 1 15 . 1 1 23 23 THR CA C 21 58.730 58.730 59.912 -1.182 17968
4713 1 15 . 1 1 23 23 THR CB C 21 70.330 70.330 70.174 0.156 17968
4714 1 15 . 1 1 23 23 THR H H 21 8.210 8.210 8.371 -0.161 17968
4715 1 15 . 1 1 24 24 THR N N 22 112.810 112.810 112.653 0.157 17968
4716 1 15 . 1 1 24 24 THR HA H 22 4.860 4.860 4.823 0.037 17968
4717 1 15 . 1 1 24 24 THR CA C 22 59.830 59.830 60.265 -0.435 17968
4718 1 15 . 1 1 24 24 THR CB C 22 74.030 74.030 70.710 3.320 17968
4719 1 15 . 1 1 24 24 THR H H 22 8.620 8.620 8.068 0.552 17968
4720 1 15 . 1 1 25 25 ILE N N 23 124.310 124.310 118.252 6.058 17968
4721 1 15 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.881 -0.221 17968
4722 1 15 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.243 -0.513 17968
4723 1 15 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.819 0.411 17968
4724 1 15 . 1 1 25 25 ILE H H 23 9.020 9.020 8.282 0.738 17968
4725 1 15 . 1 1 26 26 HIS N N 24 119.210 119.210 113.678 5.532 17968
4726 1 15 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.589 -0.209 17968
4727 1 15 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.861 -0.431 17968
4728 1 15 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.917 0.813 17968
4729 1 15 . 1 1 26 26 HIS H H 24 6.870 6.870 7.849 -0.979 17968
4730 1 15 . 1 1 27 27 ASP N N 25 116.510 116.510 118.921 -2.411 17968
4731 1 15 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.655 0.095 17968
4732 1 15 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.353 0.077 17968
4733 1 15 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.451 1.879 17968
4734 1 15 . 1 1 27 27 ASP H H 25 7.220 7.220 7.524 -0.304 17968
4735 1 15 . 1 1 28 28 ILE N N 26 123.310 123.310 122.213 1.097 17968
4736 1 15 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.990 -0.090 17968
4737 1 15 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.536 0.594 17968
4738 1 15 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.409 -0.479 17968
4739 1 15 . 1 1 28 28 ILE H H 26 7.690 7.690 7.756 -0.066 17968
4740 1 15 . 1 1 29 29 ILE N N 27 130.910 130.910 130.123 0.787 17968
4741 1 15 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.232 0.128 17968
4742 1 15 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.638 -0.808 17968
4743 1 15 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.188 0.542 17968
4744 1 15 . 1 1 29 29 ILE H H 27 8.230 8.230 8.351 -0.121 17968
4745 1 15 . 1 1 30 30 LEU N N 28 129.310 129.310 129.204 0.106 17968
4746 1 15 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.709 -0.059 17968
4747 1 15 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.141 -0.611 17968
4748 1 15 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.288 2.042 17968
4749 1 15 . 1 1 30 30 LEU H H 28 8.450 8.450 8.564 -0.114 17968
4750 1 15 . 1 1 31 31 GLU N N 29 121.810 121.810 118.281 3.529 17968
4751 1 15 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.041 -0.381 17968
4752 1 15 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.652 0.078 17968
4753 1 15 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.718 0.212 17968
4754 1 15 . 1 1 31 31 GLU H H 29 8.820 8.820 8.606 0.214 17968
4755 1 15 . 1 1 32 32 CYS N N 30 125.510 125.510 120.714 4.796 17968
4756 1 15 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.101 -1.071 17968
4757 1 15 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.182 -0.952 17968
4758 1 15 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.362 3.468 17968
4759 1 15 . 1 1 32 32 CYS H H 30 8.240 8.240 8.619 -0.379 17968
4760 1 15 . 1 1 33 33 VAL N N 31 132.310 132.310 127.409 4.901 17968
4761 1 15 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.062 0.018 17968
4762 1 15 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.717 -0.387 17968
4763 1 15 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.655 -0.025 17968
4764 1 15 . 1 1 33 33 VAL H H 31 8.880 8.880 8.438 0.442 17968
4765 1 15 . 1 1 34 34 TYR N N 32 124.210 124.210 115.574 8.636 17968
4766 1 15 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.635 -0.185 17968
4767 1 15 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.117 1.913 17968
4768 1 15 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.643 0.387 17968
4769 1 15 . 1 1 34 34 TYR H H 32 8.620 8.620 7.540 1.080 17968
4770 1 15 . 1 1 35 35 CYS N N 33 119.810 119.810 117.539 2.271 17968
4771 1 15 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.519 0.281 17968
4772 1 15 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.362 -0.032 17968
4773 1 15 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.644 4.586 17968
4774 1 15 . 1 1 35 35 CYS H H 33 8.090 8.090 7.932 0.158 17968
4775 1 15 . 1 1 36 36 LYS N N 34 119.810 119.810 115.803 4.007 17968
4776 1 15 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.105 0.055 17968
4777 1 15 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.983 0.847 17968
4778 1 15 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.807 -1.577 17968
4779 1 15 . 1 1 36 36 LYS H H 34 7.870 7.870 7.580 0.290 17968
4780 1 15 . 1 1 37 37 GLN N N 35 120.610 120.610 117.688 2.922 17968
4781 1 15 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.376 -0.006 17968
4782 1 15 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.744 -0.314 17968
4783 1 15 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.057 -0.327 17968
4784 1 15 . 1 1 37 37 GLN H H 35 8.250 8.250 7.959 0.291 17968
4785 1 15 . 1 1 38 38 GLN N N 36 123.610 123.610 124.369 -0.759 17968
4786 1 15 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.206 0.154 17968
4787 1 15 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.591 0.239 17968
4788 1 15 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.903 0.527 17968
4789 1 15 . 1 1 38 38 GLN H H 36 8.630 8.630 8.653 -0.023 17968
4790 1 15 . 1 1 39 39 LEU N N 37 131.410 131.410 128.367 3.043 17968
4791 1 15 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.342 -0.242 17968
4792 1 15 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.580 2.650 17968
4793 1 15 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.389 -0.259 17968
4794 1 15 . 1 1 39 39 LEU H H 37 8.830 8.830 8.595 0.235 17968
4795 1 15 . 1 1 40 40 LEU N N 38 126.410 126.410 124.393 2.017 17968
4796 1 15 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.226 0.064 17968
4797 1 15 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.745 -0.415 17968
4798 1 15 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.647 0.283 17968
4799 1 15 . 1 1 40 40 LEU H H 38 9.780 9.780 8.369 1.411 17968
4800 1 15 . 1 1 41 41 ARG N N 39 126.610 126.610 121.856 4.754 17968
4801 1 15 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.770 -0.320 17968
4802 1 15 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.524 -1.594 17968
4803 1 15 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.806 -2.776 17968
4804 1 15 . 1 1 41 41 ARG H H 39 8.880 8.880 8.682 0.198 17968
4805 1 15 . 1 1 42 42 ARG N N 40 116.410 116.410 118.321 -1.911 17968
4806 1 15 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.972 0.028 17968
4807 1 15 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.415 -0.885 17968
4808 1 15 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.798 3.032 17968
4809 1 15 . 1 1 42 42 ARG H H 40 8.590 8.590 8.505 0.085 17968
4810 1 15 . 1 1 43 43 GLU N N 41 117.710 117.710 118.302 -0.592 17968
4811 1 15 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.225 0.035 17968
4812 1 15 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.475 0.455 17968
4813 1 15 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.336 1.194 17968
4814 1 15 . 1 1 43 43 GLU H H 41 6.800 6.800 7.745 -0.945 17968
4815 1 15 . 1 1 44 44 VAL N N 42 124.710 124.710 120.290 4.420 17968
4816 1 15 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.735 -0.555 17968
4817 1 15 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.808 1.722 17968
4818 1 15 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.981 0.349 17968
4819 1 15 . 1 1 44 44 VAL H H 42 7.760 7.760 8.006 -0.246 17968
4820 1 15 . 1 1 45 45 TYR N N 43 118.310 118.310 119.517 -1.207 17968
4821 1 15 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.255 -0.065 17968
4822 1 15 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.079 0.051 17968
4823 1 15 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.172 1.558 17968
4824 1 15 . 1 1 45 45 TYR H H 43 7.600 7.600 8.205 -0.605 17968
4825 1 15 . 1 1 46 46 ASP N N 44 120.910 120.910 119.965 0.945 17968
4826 1 15 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.379 0.331 17968
4827 1 15 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.847 0.183 17968
4828 1 15 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.831 -0.001 17968
4829 1 15 . 1 1 46 46 ASP H H 44 8.660 8.660 7.644 1.016 17968
4830 1 15 . 1 1 47 47 PHE N N 45 125.310 125.310 120.010 5.300 17968
4831 1 15 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.224 -0.294 17968
4832 1 15 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.085 1.545 17968
4833 1 15 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.349 -0.319 17968
4834 1 15 . 1 1 47 47 PHE H H 45 8.250 8.250 7.761 0.489 17968
4835 1 15 . 1 1 48 48 ALA N N 46 119.710 119.710 120.758 -1.048 17968
4836 1 15 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.281 0.219 17968
4837 1 15 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.792 0.338 17968
4838 1 15 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.487 0.243 17968
4839 1 15 . 1 1 48 48 ALA H H 46 7.790 7.790 7.778 0.012 17968
4840 1 15 . 1 1 49 49 PHE N N 47 123.210 123.210 118.750 4.460 17968
4841 1 15 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.268 0.282 17968
4842 1 15 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.187 0.343 17968
4843 1 15 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.624 -0.594 17968
4844 1 15 . 1 1 49 49 PHE H H 47 9.040 9.040 8.144 0.896 17968
4845 1 15 . 1 1 50 50 ARG N N 48 119.810 119.810 117.617 2.193 17968
4846 1 15 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.407 -0.357 17968
4847 1 15 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.232 2.898 17968
4848 1 15 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.606 -1.577 17968
4849 1 15 . 1 1 50 50 ARG H H 48 8.100 8.100 7.295 0.805 17968
4850 1 15 . 1 1 51 51 ASP N N 49 120.910 120.910 120.741 0.169 17968
4851 1 15 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.646 -0.196 17968
4852 1 15 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.007 0.523 17968
4853 1 15 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.580 -0.650 17968
4854 1 15 . 1 1 51 51 ASP H H 49 8.010 8.010 8.540 -0.530 17968
4855 1 15 . 1 1 52 52 LEU N N 50 118.510 118.510 124.541 -6.031 17968
4856 1 15 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.638 -0.468 17968
4857 1 15 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.298 0.931 17968
4858 1 15 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.228 -3.998 17968
4859 1 15 . 1 1 52 52 LEU H H 50 6.720 6.720 7.581 -0.861 17968
4860 1 15 . 1 1 53 53 CYS N N 51 117.410 117.410 121.445 -4.035 17968
4861 1 15 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.256 -0.346 17968
4862 1 15 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.994 1.736 17968
4863 1 15 . 1 1 53 53 CYS CB C 51 28.730 28.730 28.187 0.543 17968
4864 1 15 . 1 1 53 53 CYS H H 51 8.030 8.030 8.337 -0.307 17968
4865 1 15 . 1 1 54 54 ILE N N 52 125.110 125.110 124.140 0.970 17968
4866 1 15 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.100 -0.110 17968
4867 1 15 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.427 -1.497 17968
4868 1 15 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.212 -0.483 17968
4869 1 15 . 1 1 54 54 ILE H H 52 8.450 8.450 8.034 0.416 17968
4870 1 15 . 1 1 55 55 VAL N N 53 127.010 127.010 122.904 4.106 17968
4871 1 15 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.279 0.071 17968
4872 1 15 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.032 -0.402 17968
4873 1 15 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.078 2.152 17968
4874 1 15 . 1 1 55 55 VAL H H 53 8.120 8.120 7.872 0.248 17968
4875 1 15 . 1 1 56 56 TYR N N 54 125.010 125.010 126.989 -1.979 17968
4876 1 15 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.877 0.503 17968
4877 1 15 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.165 0.265 17968
4878 1 15 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.045 1.985 17968
4879 1 15 . 1 1 56 56 TYR H H 54 8.710 8.710 8.429 0.281 17968
4880 1 15 . 1 1 57 57 ARG N N 55 123.810 123.810 125.138 -1.328 17968
4881 1 15 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.552 0.078 17968
4882 1 15 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.241 0.089 17968
4883 1 15 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.616 1.214 17968
4884 1 15 . 1 1 57 57 ARG H H 55 8.860 8.860 8.209 0.651 17968
4885 1 15 . 1 1 58 58 ASP N N 56 129.110 129.110 125.413 3.697 17968
4886 1 15 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.297 0.003 17968
4887 1 15 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.950 -1.220 17968
4888 1 15 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.351 -0.221 17968
4889 1 15 . 1 1 58 58 ASP H H 56 9.630 9.630 9.329 0.301 17968
4890 1 15 . 1 1 59 59 GLY N N 57 104.510 104.510 104.605 -0.095 17968
4891 1 15 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.241 0.389 17968
4892 1 15 . 1 1 59 59 GLY H H 57 8.710 8.710 8.416 0.294 17968
4893 1 15 . 1 1 60 60 ASN N N 58 122.110 122.110 119.384 2.726 17968
4894 1 15 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.247 0.133 17968
4895 1 15 . 1 1 60 60 ASN CA C 58 50.330 50.330 49.569 0.761 17968
4896 1 15 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.065 -0.635 17968
4897 1 15 . 1 1 60 60 ASN H H 58 8.130 8.130 7.934 0.196 17968
4898 1 15 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.169 -0.399 17968
4899 1 15 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.936 -0.906 17968
4900 1 15 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.344 2.086 17968
4901 1 15 . 1 1 62 62 TYR N N 60 119.910 119.910 123.700 -3.790 17968
4902 1 15 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.869 -0.519 17968
4903 1 15 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.136 1.994 17968
4904 1 15 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.019 1.411 17968
4905 1 15 . 1 1 62 62 TYR H H 60 8.580 8.580 7.444 1.136 17968
4906 1 15 . 1 1 63 63 ALA N N 61 123.710 123.710 121.707 2.003 17968
4907 1 15 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.488 -0.108 17968
4908 1 15 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.786 -0.456 17968
4909 1 15 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.383 -1.153 17968
4910 1 15 . 1 1 63 63 ALA H H 61 7.980 7.980 8.698 -0.718 17968
4911 1 15 . 1 1 64 64 VAL N N 62 120.610 120.610 119.982 0.628 17968
4912 1 15 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.203 1.277 17968
4913 1 15 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.755 -0.425 17968
4914 1 15 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.212 4.018 17968
4915 1 15 . 1 1 64 64 VAL H H 62 6.330 6.330 8.456 -2.126 17968
4916 1 15 . 1 1 65 65 CYS N N 63 130.310 130.310 124.148 6.162 17968
4917 1 15 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.458 0.102 17968
4918 1 15 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.857 0.573 17968
4919 1 15 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.206 1.824 17968
4920 1 15 . 1 1 65 65 CYS H H 63 9.420 9.420 8.595 0.825 17968
4921 1 15 . 1 1 66 66 ASP N N 64 121.110 121.110 120.396 0.714 17968
4922 1 15 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.183 0.227 17968
4923 1 15 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.653 0.777 17968
4924 1 15 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.893 1.637 17968
4925 1 15 . 1 1 66 66 ASP H H 64 9.040 9.040 9.025 0.015 17968
4926 1 15 . 1 1 67 67 LYS N N 65 121.910 121.910 119.280 2.630 17968
4927 1 15 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.635 0.355 17968
4928 1 15 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.538 1.592 17968
4929 1 15 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.127 0.703 17968
4930 1 15 . 1 1 67 67 LYS H H 65 8.330 8.330 8.011 0.319 17968
4931 1 15 . 1 1 68 68 CYS N N 66 125.510 125.510 119.235 6.275 17968
4932 1 15 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.347 -0.237 17968
4933 1 15 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.894 0.836 17968
4934 1 15 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.041 4.589 17968
4935 1 15 . 1 1 68 68 CYS H H 66 8.690 8.690 7.634 1.056 17968
4936 1 15 . 1 1 69 69 LEU N N 67 125.110 125.110 120.562 4.548 17968
4937 1 15 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.039 -0.009 17968
4938 1 15 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.228 0.402 17968
4939 1 15 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.918 0.312 17968
4940 1 15 . 1 1 69 69 LEU H H 67 8.460 8.460 8.642 -0.182 17968
4941 1 15 . 1 1 70 70 LYS N N 68 119.210 119.210 118.857 0.353 17968
4942 1 15 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.156 -0.176 17968
4943 1 15 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.395 0.635 17968
4944 1 15 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.935 -0.705 17968
4945 1 15 . 1 1 70 70 LYS H H 68 7.830 7.830 7.467 0.363 17968
4946 1 15 . 1 1 71 71 PHE N N 69 121.710 121.710 117.790 3.920 17968
4947 1 15 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.297 -0.027 17968
4948 1 15 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.562 0.568 17968
4949 1 15 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.542 0.888 17968
4950 1 15 . 1 1 71 71 PHE H H 69 7.810 7.810 7.688 0.122 17968
4951 1 16 . 1 1 4 4 PHE N N 2 122.310 122.310 123.574 -1.264 17968
4952 1 16 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.624 -0.004 17968
4953 1 16 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.481 -1.151 17968
4954 1 16 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.258 -0.828 17968
4955 1 16 . 1 1 4 4 PHE H H 2 8.370 8.370 8.374 -0.004 17968
4956 1 16 . 1 1 5 5 GLN N N 3 123.510 123.510 123.128 0.382 17968
4957 1 16 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.461 -0.271 17968
4958 1 16 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.653 1.377 17968
4959 1 16 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.801 0.129 17968
4960 1 16 . 1 1 5 5 GLN H H 3 8.250 8.250 7.810 0.440 17968
4961 1 16 . 1 1 6 6 ASP N N 4 125.010 125.010 117.269 7.741 17968
4962 1 16 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.989 -0.149 17968
4963 1 16 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.897 0.133 17968
4964 1 16 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.629 -0.899 17968
4965 1 16 . 1 1 6 6 ASP H H 4 8.410 8.410 8.247 0.163 17968
4966 1 16 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.725 -0.605 17968
4967 1 16 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.425 0.704 17968
4968 1 16 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.419 -0.089 17968
4969 1 16 . 1 1 8 8 GLN N N 6 119.710 119.710 116.267 3.443 17968
4970 1 16 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.092 0.058 17968
4971 1 16 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.984 -0.354 17968
4972 1 16 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.653 1.677 17968
4973 1 16 . 1 1 8 8 GLN H H 6 8.430 8.430 8.561 -0.131 17968
4974 1 16 . 1 1 9 9 GLU N N 7 122.110 122.110 117.434 4.676 17968
4975 1 16 . 1 1 9 9 GLU HA H 7 4.180 4.180 3.756 0.424 17968
4976 1 16 . 1 1 9 9 GLU CA C 7 56.130 56.130 58.350 -2.220 17968
4977 1 16 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.392 1.138 17968
4978 1 16 . 1 1 9 9 GLU H H 7 7.940 7.940 8.656 -0.716 17968
4979 1 16 . 1 1 10 10 ARG N N 8 123.410 123.410 117.575 5.835 17968
4980 1 16 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.115 0.295 17968
4981 1 16 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.895 -1.766 17968
4982 1 16 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.441 -0.111 17968
4983 1 16 . 1 1 10 10 ARG H H 8 7.670 7.670 8.123 -0.453 17968
4984 1 16 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.497 -0.157 17968
4985 1 16 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.266 1.264 17968
4986 1 16 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.981 -0.351 17968
4987 1 16 . 1 1 12 12 ARG N N 10 123.810 123.810 121.704 2.106 17968
4988 1 16 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.551 0.109 17968
4989 1 16 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.865 0.965 17968
4990 1 16 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.395 2.135 17968
4991 1 16 . 1 1 12 12 ARG H H 10 8.700 8.700 8.651 0.049 17968
4992 1 16 . 1 1 13 13 LYS N N 11 118.310 118.310 118.020 0.290 17968
4993 1 16 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.728 0.322 17968
4994 1 16 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.145 -0.915 17968
4995 1 16 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.797 0.833 17968
4996 1 16 . 1 1 13 13 LYS H H 11 7.810 7.810 7.371 0.439 17968
4997 1 16 . 1 1 14 14 LEU N N 12 124.810 124.810 126.894 -2.084 17968
4998 1 16 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.170 -0.020 17968
4999 1 16 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.615 0.015 17968
5000 1 16 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.971 0.559 17968
5001 1 16 . 1 1 14 14 LEU H H 12 10.210 10.210 9.370 0.840 17968
5002 1 16 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.122 0.048 17968
5003 1 16 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.783 1.547 17968
5004 1 16 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.063 -0.533 17968
5005 1 16 . 1 1 16 16 GLN N N 14 117.710 117.710 115.568 2.142 17968
5006 1 16 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.190 -0.030 17968
5007 1 16 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.480 1.650 17968
5008 1 16 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.860 -0.230 17968
5009 1 16 . 1 1 16 16 GLN H H 14 7.100 7.100 7.731 -0.631 17968
5010 1 16 . 1 1 17 17 LEU N N 15 124.610 124.610 121.943 2.667 17968
5011 1 16 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.179 -0.179 17968
5012 1 16 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.510 1.120 17968
5013 1 16 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.719 0.311 17968
5014 1 16 . 1 1 17 17 LEU H H 15 8.020 8.020 7.748 0.272 17968
5015 1 16 . 1 1 18 18 CYS N N 16 117.210 117.210 116.737 0.473 17968
5016 1 16 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.140 -0.410 17968
5017 1 16 . 1 1 18 18 CYS CA C 16 64.830 64.830 62.059 2.772 17968
5018 1 16 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.665 0.565 17968
5019 1 16 . 1 1 18 18 CYS H H 16 8.410 8.410 7.937 0.473 17968
5020 1 16 . 1 1 19 19 THR N N 17 117.710 117.710 114.437 3.273 17968
5021 1 16 . 1 1 19 19 THR HA H 17 3.990 3.990 4.062 -0.072 17968
5022 1 16 . 1 1 19 19 THR CA C 17 66.830 66.830 66.302 0.528 17968
5023 1 16 . 1 1 19 19 THR CB C 17 68.830 68.830 68.522 0.308 17968
5024 1 16 . 1 1 19 19 THR H H 17 7.670 7.670 7.625 0.045 17968
5025 1 16 . 1 1 20 20 GLU N N 18 125.410 125.410 120.547 4.863 17968
5026 1 16 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.248 -0.188 17968
5027 1 16 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.378 1.452 17968
5028 1 16 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.347 0.283 17968
5029 1 16 . 1 1 20 20 GLU H H 18 7.980 7.980 7.659 0.321 17968
5030 1 16 . 1 1 21 21 LEU N N 19 118.810 118.810 118.389 0.421 17968
5031 1 16 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.365 -0.075 17968
5032 1 16 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.823 0.107 17968
5033 1 16 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.334 -0.104 17968
5034 1 16 . 1 1 21 21 LEU H H 19 7.990 7.990 7.496 0.494 17968
5035 1 16 . 1 1 22 22 GLN N N 20 118.310 118.310 117.258 1.052 17968
5036 1 16 . 1 1 22 22 GLN HA H 20 3.940 3.940 3.949 -0.009 17968
5037 1 16 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.116 -0.486 17968
5038 1 16 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.436 -0.307 17968
5039 1 16 . 1 1 22 22 GLN H H 20 7.850 7.850 7.650 0.200 17968
5040 1 16 . 1 1 23 23 THR N N 21 115.810 115.810 113.069 2.741 17968
5041 1 16 . 1 1 23 23 THR HA H 21 4.920 4.920 4.700 0.220 17968
5042 1 16 . 1 1 23 23 THR CA C 21 58.730 58.730 61.169 -2.439 17968
5043 1 16 . 1 1 23 23 THR CB C 21 70.330 70.330 70.255 0.075 17968
5044 1 16 . 1 1 23 23 THR H H 21 8.210 8.210 8.388 -0.178 17968
5045 1 16 . 1 1 24 24 THR N N 22 112.810 112.810 113.046 -0.236 17968
5046 1 16 . 1 1 24 24 THR HA H 22 4.860 4.860 4.803 0.057 17968
5047 1 16 . 1 1 24 24 THR CA C 22 59.830 59.830 60.450 -0.619 17968
5048 1 16 . 1 1 24 24 THR CB C 22 74.030 74.030 70.348 3.682 17968
5049 1 16 . 1 1 24 24 THR H H 22 8.620 8.620 8.099 0.521 17968
5050 1 16 . 1 1 25 25 ILE N N 23 124.310 124.310 118.743 5.567 17968
5051 1 16 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.827 -0.167 17968
5052 1 16 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.446 -0.716 17968
5053 1 16 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.794 0.436 17968
5054 1 16 . 1 1 25 25 ILE H H 23 9.020 9.020 8.256 0.764 17968
5055 1 16 . 1 1 26 26 HIS N N 24 119.210 119.210 113.161 6.049 17968
5056 1 16 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.666 -0.286 17968
5057 1 16 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.380 0.050 17968
5058 1 16 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.441 1.289 17968
5059 1 16 . 1 1 26 26 HIS H H 24 6.870 6.870 7.715 -0.845 17968
5060 1 16 . 1 1 27 27 ASP N N 25 116.510 116.510 118.386 -1.876 17968
5061 1 16 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.732 0.018 17968
5062 1 16 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.211 0.219 17968
5063 1 16 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.352 0.978 17968
5064 1 16 . 1 1 27 27 ASP H H 25 7.220 7.220 7.698 -0.478 17968
5065 1 16 . 1 1 28 28 ILE N N 26 123.310 123.310 122.927 0.383 17968
5066 1 16 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.948 -0.048 17968
5067 1 16 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.587 0.543 17968
5068 1 16 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.413 -0.483 17968
5069 1 16 . 1 1 28 28 ILE H H 26 7.690 7.690 7.841 -0.151 17968
5070 1 16 . 1 1 29 29 ILE N N 27 130.910 130.910 129.323 1.587 17968
5071 1 16 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.235 0.125 17968
5072 1 16 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.327 -0.497 17968
5073 1 16 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.703 0.027 17968
5074 1 16 . 1 1 29 29 ILE H H 27 8.230 8.230 8.167 0.063 17968
5075 1 16 . 1 1 30 30 LEU N N 28 129.310 129.310 128.329 0.981 17968
5076 1 16 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.566 0.084 17968
5077 1 16 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.554 -1.024 17968
5078 1 16 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.021 2.309 17968
5079 1 16 . 1 1 30 30 LEU H H 28 8.450 8.450 8.532 -0.082 17968
5080 1 16 . 1 1 31 31 GLU N N 29 121.810 121.810 119.905 1.905 17968
5081 1 16 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.880 -0.220 17968
5082 1 16 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.538 -0.808 17968
5083 1 16 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.086 0.844 17968
5084 1 16 . 1 1 31 31 GLU H H 29 8.820 8.820 8.544 0.276 17968
5085 1 16 . 1 1 32 32 CYS N N 30 125.510 125.510 122.230 3.280 17968
5086 1 16 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.021 -0.991 17968
5087 1 16 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.797 -1.567 17968
5088 1 16 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.961 3.869 17968
5089 1 16 . 1 1 32 32 CYS H H 30 8.240 8.240 8.593 -0.353 17968
5090 1 16 . 1 1 33 33 VAL N N 31 132.310 132.310 127.444 4.866 17968
5091 1 16 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.295 -0.215 17968
5092 1 16 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.301 -0.971 17968
5093 1 16 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.034 -0.404 17968
5094 1 16 . 1 1 33 33 VAL H H 31 8.880 8.880 8.663 0.217 17968
5095 1 16 . 1 1 34 34 TYR N N 32 124.210 124.210 116.827 7.383 17968
5096 1 16 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.539 -0.089 17968
5097 1 16 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.823 0.207 17968
5098 1 16 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.290 1.740 17968
5099 1 16 . 1 1 34 34 TYR H H 32 8.620 8.620 7.498 1.122 17968
5100 1 16 . 1 1 35 35 CYS N N 33 119.810 119.810 116.047 3.763 17968
5101 1 16 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.364 0.436 17968
5102 1 16 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.441 -0.110 17968
5103 1 16 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.049 5.181 17968
5104 1 16 . 1 1 35 35 CYS H H 33 8.090 8.090 7.738 0.352 17968
5105 1 16 . 1 1 36 36 LYS N N 34 119.810 119.810 116.395 3.415 17968
5106 1 16 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.176 -0.016 17968
5107 1 16 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.019 0.811 17968
5108 1 16 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.464 -1.234 17968
5109 1 16 . 1 1 36 36 LYS H H 34 7.870 7.870 7.825 0.045 17968
5110 1 16 . 1 1 37 37 GLN N N 35 120.610 120.610 117.354 3.256 17968
5111 1 16 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.514 -0.144 17968
5112 1 16 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.599 0.831 17968
5113 1 16 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.110 -0.380 17968
5114 1 16 . 1 1 37 37 GLN H H 35 8.250 8.250 7.934 0.316 17968
5115 1 16 . 1 1 38 38 GLN N N 36 123.610 123.610 124.159 -0.549 17968
5116 1 16 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.331 0.029 17968
5117 1 16 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.654 0.177 17968
5118 1 16 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.926 0.504 17968
5119 1 16 . 1 1 38 38 GLN H H 36 8.630 8.630 8.576 0.054 17968
5120 1 16 . 1 1 39 39 LEU N N 37 131.410 131.410 126.940 4.470 17968
5121 1 16 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.281 -0.181 17968
5122 1 16 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.091 2.139 17968
5123 1 16 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.719 -0.589 17968
5124 1 16 . 1 1 39 39 LEU H H 37 8.830 8.830 8.354 0.476 17968
5125 1 16 . 1 1 40 40 LEU N N 38 126.410 126.410 121.319 5.091 17968
5126 1 16 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.506 -0.216 17968
5127 1 16 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.012 0.318 17968
5128 1 16 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.029 -0.099 17968
5129 1 16 . 1 1 40 40 LEU H H 38 9.780 9.780 8.041 1.739 17968
5130 1 16 . 1 1 41 41 ARG N N 39 126.610 126.610 120.423 6.187 17968
5131 1 16 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.853 -0.403 17968
5132 1 16 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.955 -1.025 17968
5133 1 16 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.674 -2.643 17968
5134 1 16 . 1 1 41 41 ARG H H 39 8.880 8.880 8.674 0.206 17968
5135 1 16 . 1 1 42 42 ARG N N 40 116.410 116.410 120.197 -3.787 17968
5136 1 16 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.987 0.013 17968
5137 1 16 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.670 -1.140 17968
5138 1 16 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.630 3.200 17968
5139 1 16 . 1 1 42 42 ARG H H 40 8.590 8.590 8.578 0.012 17968
5140 1 16 . 1 1 43 43 GLU N N 41 117.710 117.710 119.146 -1.436 17968
5141 1 16 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.189 0.071 17968
5142 1 16 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.999 -0.069 17968
5143 1 16 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.724 1.806 17968
5144 1 16 . 1 1 43 43 GLU H H 41 6.800 6.800 7.955 -1.155 17968
5145 1 16 . 1 1 44 44 VAL N N 42 124.710 124.710 121.269 3.441 17968
5146 1 16 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.714 -0.534 17968
5147 1 16 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.478 1.052 17968
5148 1 16 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.880 0.450 17968
5149 1 16 . 1 1 44 44 VAL H H 42 7.760 7.760 7.999 -0.239 17968
5150 1 16 . 1 1 45 45 TYR N N 43 118.310 118.310 119.487 -1.177 17968
5151 1 16 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.266 -0.076 17968
5152 1 16 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.905 0.225 17968
5153 1 16 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.264 1.466 17968
5154 1 16 . 1 1 45 45 TYR H H 43 7.600 7.600 8.267 -0.667 17968
5155 1 16 . 1 1 46 46 ASP N N 44 120.910 120.910 119.696 1.214 17968
5156 1 16 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.430 0.280 17968
5157 1 16 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.097 0.933 17968
5158 1 16 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.841 -0.011 17968
5159 1 16 . 1 1 46 46 ASP H H 44 8.660 8.660 7.891 0.769 17968
5160 1 16 . 1 1 47 47 PHE N N 45 125.310 125.310 120.113 5.197 17968
5161 1 16 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.275 -0.345 17968
5162 1 16 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.419 1.210 17968
5163 1 16 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.562 -0.533 17968
5164 1 16 . 1 1 47 47 PHE H H 45 8.250 8.250 8.204 0.046 17968
5165 1 16 . 1 1 48 48 ALA N N 46 119.710 119.710 120.060 -0.350 17968
5166 1 16 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.286 0.214 17968
5167 1 16 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.577 0.553 17968
5168 1 16 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.491 0.239 17968
5169 1 16 . 1 1 48 48 ALA H H 46 7.790 7.790 7.980 -0.190 17968
5170 1 16 . 1 1 49 49 PHE N N 47 123.210 123.210 119.768 3.442 17968
5171 1 16 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.293 0.257 17968
5172 1 16 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.312 0.218 17968
5173 1 16 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.692 -0.662 17968
5174 1 16 . 1 1 49 49 PHE H H 47 9.040 9.040 7.991 1.049 17968
5175 1 16 . 1 1 50 50 ARG N N 48 119.810 119.810 117.938 1.872 17968
5176 1 16 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.366 -0.316 17968
5177 1 16 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.471 2.659 17968
5178 1 16 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.504 -0.474 17968
5179 1 16 . 1 1 50 50 ARG H H 48 8.100 8.100 7.524 0.576 17968
5180 1 16 . 1 1 51 51 ASP N N 49 120.910 120.910 120.788 0.122 17968
5181 1 16 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.644 -0.194 17968
5182 1 16 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.934 0.595 17968
5183 1 16 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.034 -0.104 17968
5184 1 16 . 1 1 51 51 ASP H H 49 8.010 8.010 8.508 -0.498 17968
5185 1 16 . 1 1 52 52 LEU N N 50 118.510 118.510 123.503 -4.993 17968
5186 1 16 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.555 -0.385 17968
5187 1 16 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.316 0.915 17968
5188 1 16 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.447 -3.217 17968
5189 1 16 . 1 1 52 52 LEU H H 50 6.720 6.720 7.520 -0.800 17968
5190 1 16 . 1 1 53 53 CYS N N 51 117.410 117.410 118.299 -0.889 17968
5191 1 16 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.343 -0.433 17968
5192 1 16 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.069 2.661 17968
5193 1 16 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.479 -0.749 17968
5194 1 16 . 1 1 53 53 CYS H H 51 8.030 8.030 8.232 -0.202 17968
5195 1 16 . 1 1 54 54 ILE N N 52 125.110 125.110 122.888 2.222 17968
5196 1 16 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.218 -0.228 17968
5197 1 16 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.580 -1.649 17968
5198 1 16 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.615 -0.885 17968
5199 1 16 . 1 1 54 54 ILE H H 52 8.450 8.450 8.447 0.003 17968
5200 1 16 . 1 1 55 55 VAL N N 53 127.010 127.010 127.175 -0.165 17968
5201 1 16 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.158 0.192 17968
5202 1 16 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.513 -0.883 17968
5203 1 16 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.451 2.779 17968
5204 1 16 . 1 1 55 55 VAL H H 53 8.120 8.120 8.200 -0.080 17968
5205 1 16 . 1 1 56 56 TYR N N 54 125.010 125.010 128.891 -3.881 17968
5206 1 16 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.050 0.330 17968
5207 1 16 . 1 1 56 56 TYR CA C 54 57.430 57.430 58.009 -0.579 17968
5208 1 16 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.061 1.969 17968
5209 1 16 . 1 1 56 56 TYR H H 54 8.710 8.710 8.629 0.081 17968
5210 1 16 . 1 1 57 57 ARG N N 55 123.810 123.810 125.624 -1.814 17968
5211 1 16 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.428 0.202 17968
5212 1 16 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.554 0.776 17968
5213 1 16 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.265 2.565 17968
5214 1 16 . 1 1 57 57 ARG H H 55 8.860 8.860 8.912 -0.052 17968
5215 1 16 . 1 1 58 58 ASP N N 56 129.110 129.110 126.580 2.530 17968
5216 1 16 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.394 -0.094 17968
5217 1 16 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.137 0.593 17968
5218 1 16 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.227 -0.097 17968
5219 1 16 . 1 1 58 58 ASP H H 56 9.630 9.630 9.155 0.475 17968
5220 1 16 . 1 1 59 59 GLY N N 57 104.510 104.510 102.686 1.824 17968
5221 1 16 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.116 0.514 17968
5222 1 16 . 1 1 59 59 GLY H H 57 8.710 8.710 8.606 0.104 17968
5223 1 16 . 1 1 60 60 ASN N N 58 122.110 122.110 120.689 1.421 17968
5224 1 16 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.151 0.229 17968
5225 1 16 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.775 -0.445 17968
5226 1 16 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.157 1.273 17968
5227 1 16 . 1 1 60 60 ASN H H 58 8.130 8.130 7.863 0.267 17968
5228 1 16 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.326 0.444 17968
5229 1 16 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.594 -0.564 17968
5230 1 16 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.109 2.321 17968
5231 1 16 . 1 1 62 62 TYR N N 60 119.910 119.910 123.270 -3.360 17968
5232 1 16 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.715 -0.365 17968
5233 1 16 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.715 1.415 17968
5234 1 16 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.883 0.547 17968
5235 1 16 . 1 1 62 62 TYR H H 60 8.580 8.580 8.132 0.448 17968
5236 1 16 . 1 1 63 63 ALA N N 61 123.710 123.710 121.637 2.073 17968
5237 1 16 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.518 -0.138 17968
5238 1 16 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.839 -0.509 17968
5239 1 16 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.204 -0.974 17968
5240 1 16 . 1 1 63 63 ALA H H 61 7.980 7.980 8.984 -1.004 17968
5241 1 16 . 1 1 64 64 VAL N N 62 120.610 120.610 118.363 2.247 17968
5242 1 16 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.301 1.179 17968
5243 1 16 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.087 0.242 17968
5244 1 16 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.703 3.527 17968
5245 1 16 . 1 1 64 64 VAL H H 62 6.330 6.330 8.259 -1.929 17968
5246 1 16 . 1 1 65 65 CYS N N 63 130.310 130.310 124.077 6.233 17968
5247 1 16 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.606 -0.046 17968
5248 1 16 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.398 1.032 17968
5249 1 16 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.807 1.223 17968
5250 1 16 . 1 1 65 65 CYS H H 63 9.420 9.420 8.523 0.897 17968
5251 1 16 . 1 1 66 66 ASP N N 64 121.110 121.110 120.959 0.151 17968
5252 1 16 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.314 0.096 17968
5253 1 16 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.817 0.613 17968
5254 1 16 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.094 1.436 17968
5255 1 16 . 1 1 66 66 ASP H H 64 9.040 9.040 9.117 -0.077 17968
5256 1 16 . 1 1 67 67 LYS N N 65 121.910 121.910 118.622 3.288 17968
5257 1 16 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.268 -0.278 17968
5258 1 16 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.590 0.540 17968
5259 1 16 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.279 0.551 17968
5260 1 16 . 1 1 67 67 LYS H H 65 8.330 8.330 8.075 0.255 17968
5261 1 16 . 1 1 68 68 CYS N N 66 125.510 125.510 120.239 5.271 17968
5262 1 16 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.483 -0.373 17968
5263 1 16 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.506 1.224 17968
5264 1 16 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.998 4.632 17968
5265 1 16 . 1 1 68 68 CYS H H 66 8.690 8.690 7.796 0.894 17968
5266 1 16 . 1 1 69 69 LEU N N 67 125.110 125.110 120.675 4.435 17968
5267 1 16 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.142 -0.112 17968
5268 1 16 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.888 0.742 17968
5269 1 16 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.918 0.312 17968
5270 1 16 . 1 1 69 69 LEU H H 67 8.460 8.460 8.544 -0.084 17968
5271 1 16 . 1 1 70 70 LYS N N 68 119.210 119.210 117.409 1.801 17968
5272 1 16 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.196 -0.216 17968
5273 1 16 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.640 1.390 17968
5274 1 16 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.592 -0.362 17968
5275 1 16 . 1 1 70 70 LYS H H 68 7.830 7.830 7.626 0.204 17968
5276 1 16 . 1 1 71 71 PHE N N 69 121.710 121.710 118.575 3.135 17968
5277 1 16 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.208 0.062 17968
5278 1 16 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.555 -0.425 17968
5279 1 16 . 1 1 71 71 PHE CB C 69 39.430 39.430 40.276 -0.846 17968
5280 1 16 . 1 1 71 71 PHE H H 69 7.810 7.810 7.518 0.292 17968
5281 1 17 . 1 1 4 4 PHE N N 2 122.310 122.310 122.622 -0.312 17968
5282 1 17 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.904 -0.284 17968
5283 1 17 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.619 -1.289 17968
5284 1 17 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.147 -1.717 17968
5285 1 17 . 1 1 4 4 PHE H H 2 8.370 8.370 8.846 -0.476 17968
5286 1 17 . 1 1 5 5 GLN N N 3 123.510 123.510 122.641 0.869 17968
5287 1 17 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.595 -0.405 17968
5288 1 17 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.792 2.238 17968
5289 1 17 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.363 -0.433 17968
5290 1 17 . 1 1 5 5 GLN H H 3 8.250 8.250 8.122 0.128 17968
5291 1 17 . 1 1 6 6 ASP N N 4 125.010 125.010 120.484 4.526 17968
5292 1 17 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.486 0.354 17968
5293 1 17 . 1 1 6 6 ASP CA C 4 52.030 52.030 54.007 -1.977 17968
5294 1 17 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.359 0.371 17968
5295 1 17 . 1 1 6 6 ASP H H 4 8.410 8.410 8.448 -0.038 17968
5296 1 17 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.559 -0.439 17968
5297 1 17 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.988 1.142 17968
5298 1 17 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.216 0.114 17968
5299 1 17 . 1 1 8 8 GLN N N 6 119.710 119.710 119.750 -0.040 17968
5300 1 17 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.223 -0.073 17968
5301 1 17 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.385 0.245 17968
5302 1 17 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.542 0.788 17968
5303 1 17 . 1 1 8 8 GLN H H 6 8.430 8.430 7.587 0.843 17968
5304 1 17 . 1 1 9 9 GLU N N 7 122.110 122.110 124.044 -1.934 17968
5305 1 17 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.316 -0.136 17968
5306 1 17 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.514 0.616 17968
5307 1 17 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.791 -0.261 17968
5308 1 17 . 1 1 9 9 GLU H H 7 7.940 7.940 9.055 -1.115 17968
5309 1 17 . 1 1 10 10 ARG N N 8 123.410 123.410 116.635 6.775 17968
5310 1 17 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.091 0.319 17968
5311 1 17 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.681 -1.551 17968
5312 1 17 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.618 1.712 17968
5313 1 17 . 1 1 10 10 ARG H H 8 7.670 7.670 8.811 -1.141 17968
5314 1 17 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.624 -0.284 17968
5315 1 17 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.937 1.593 17968
5316 1 17 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.615 0.015 17968
5317 1 17 . 1 1 12 12 ARG N N 10 123.810 123.810 119.783 4.027 17968
5318 1 17 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.660 -0.000 17968
5319 1 17 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.351 0.479 17968
5320 1 17 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.645 1.885 17968
5321 1 17 . 1 1 12 12 ARG H H 10 8.700 8.700 8.759 -0.059 17968
5322 1 17 . 1 1 13 13 LYS N N 11 118.310 118.310 118.531 -0.221 17968
5323 1 17 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.692 0.358 17968
5324 1 17 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.968 -0.738 17968
5325 1 17 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.235 1.395 17968
5326 1 17 . 1 1 13 13 LYS H H 11 7.810 7.810 7.564 0.246 17968
5327 1 17 . 1 1 14 14 LEU N N 12 124.810 124.810 127.758 -2.948 17968
5328 1 17 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.234 -0.084 17968
5329 1 17 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.828 -0.198 17968
5330 1 17 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.898 0.632 17968
5331 1 17 . 1 1 14 14 LEU H H 12 10.210 10.210 9.233 0.977 17968
5332 1 17 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.209 -0.039 17968
5333 1 17 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.819 1.511 17968
5334 1 17 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.179 -0.649 17968
5335 1 17 . 1 1 16 16 GLN N N 14 117.710 117.710 117.030 0.680 17968
5336 1 17 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.209 -0.049 17968
5337 1 17 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.792 0.338 17968
5338 1 17 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.544 0.086 17968
5339 1 17 . 1 1 16 16 GLN H H 14 7.100 7.100 8.287 -1.187 17968
5340 1 17 . 1 1 17 17 LEU N N 15 124.610 124.610 123.099 1.511 17968
5341 1 17 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.103 -0.103 17968
5342 1 17 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.837 0.793 17968
5343 1 17 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.733 0.296 17968
5344 1 17 . 1 1 17 17 LEU H H 15 8.020 8.020 8.198 -0.178 17968
5345 1 17 . 1 1 18 18 CYS N N 16 117.210 117.210 116.115 1.095 17968
5346 1 17 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.072 -0.342 17968
5347 1 17 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.578 1.252 17968
5348 1 17 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.055 0.175 17968
5349 1 17 . 1 1 18 18 CYS H H 16 8.410 8.410 8.284 0.126 17968
5350 1 17 . 1 1 19 19 THR N N 17 117.710 117.710 115.984 1.726 17968
5351 1 17 . 1 1 19 19 THR HA H 17 3.990 3.990 4.088 -0.098 17968
5352 1 17 . 1 1 19 19 THR CA C 17 66.830 66.830 66.735 0.095 17968
5353 1 17 . 1 1 19 19 THR CB C 17 68.830 68.830 68.464 0.366 17968
5354 1 17 . 1 1 19 19 THR H H 17 7.670 7.670 7.642 0.028 17968
5355 1 17 . 1 1 20 20 GLU N N 18 125.410 125.410 120.405 5.005 17968
5356 1 17 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.155 -0.095 17968
5357 1 17 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.636 1.194 17968
5358 1 17 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.638 -0.008 17968
5359 1 17 . 1 1 20 20 GLU H H 18 7.980 7.980 7.619 0.361 17968
5360 1 17 . 1 1 21 21 LEU N N 19 118.810 118.810 118.666 0.144 17968
5361 1 17 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.369 -0.079 17968
5362 1 17 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.845 -0.915 17968
5363 1 17 . 1 1 21 21 LEU CB C 19 42.230 42.230 43.068 -0.838 17968
5364 1 17 . 1 1 21 21 LEU H H 19 7.990 7.990 8.010 -0.020 17968
5365 1 17 . 1 1 22 22 GLN N N 20 118.310 118.310 116.664 1.646 17968
5366 1 17 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.011 -0.071 17968
5367 1 17 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.315 -0.685 17968
5368 1 17 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.170 -0.040 17968
5369 1 17 . 1 1 22 22 GLN H H 20 7.850 7.850 7.736 0.114 17968
5370 1 17 . 1 1 23 23 THR N N 21 115.810 115.810 112.794 3.016 17968
5371 1 17 . 1 1 23 23 THR HA H 21 4.920 4.920 4.832 0.088 17968
5372 1 17 . 1 1 23 23 THR CA C 21 58.730 58.730 60.309 -1.579 17968
5373 1 17 . 1 1 23 23 THR CB C 21 70.330 70.330 70.789 -0.459 17968
5374 1 17 . 1 1 23 23 THR H H 21 8.210 8.210 8.541 -0.331 17968
5375 1 17 . 1 1 24 24 THR N N 22 112.810 112.810 112.204 0.606 17968
5376 1 17 . 1 1 24 24 THR HA H 22 4.860 4.860 4.885 -0.025 17968
5377 1 17 . 1 1 24 24 THR CA C 22 59.830 59.830 59.641 0.189 17968
5378 1 17 . 1 1 24 24 THR CB C 22 74.030 74.030 71.047 2.983 17968
5379 1 17 . 1 1 24 24 THR H H 22 8.620 8.620 8.146 0.474 17968
5380 1 17 . 1 1 25 25 ILE N N 23 124.310 124.310 117.734 6.576 17968
5381 1 17 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.841 -0.181 17968
5382 1 17 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.749 -0.019 17968
5383 1 17 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.670 0.560 17968
5384 1 17 . 1 1 25 25 ILE H H 23 9.020 9.020 8.551 0.469 17968
5385 1 17 . 1 1 26 26 HIS N N 24 119.210 119.210 115.528 3.682 17968
5386 1 17 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.626 -0.246 17968
5387 1 17 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.331 -0.901 17968
5388 1 17 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.660 0.070 17968
5389 1 17 . 1 1 26 26 HIS H H 24 6.870 6.870 7.370 -0.500 17968
5390 1 17 . 1 1 27 27 ASP N N 25 116.510 116.510 119.132 -2.622 17968
5391 1 17 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.842 -0.092 17968
5392 1 17 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.168 0.262 17968
5393 1 17 . 1 1 27 27 ASP CB C 25 44.330 44.330 41.226 3.104 17968
5394 1 17 . 1 1 27 27 ASP H H 25 7.220 7.220 7.677 -0.457 17968
5395 1 17 . 1 1 28 28 ILE N N 26 123.310 123.310 119.954 3.356 17968
5396 1 17 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.475 -0.575 17968
5397 1 17 . 1 1 28 28 ILE CA C 26 63.130 63.130 60.350 2.780 17968
5398 1 17 . 1 1 28 28 ILE CB C 26 37.930 37.930 40.505 -2.575 17968
5399 1 17 . 1 1 28 28 ILE H H 26 7.690 7.690 8.122 -0.432 17968
5400 1 17 . 1 1 29 29 ILE N N 27 130.910 130.910 128.921 1.989 17968
5401 1 17 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.315 0.045 17968
5402 1 17 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.184 -0.354 17968
5403 1 17 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.272 0.458 17968
5404 1 17 . 1 1 29 29 ILE H H 27 8.230 8.230 8.280 -0.050 17968
5405 1 17 . 1 1 30 30 LEU N N 28 129.310 129.310 128.336 0.974 17968
5406 1 17 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.533 0.117 17968
5407 1 17 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.422 -0.892 17968
5408 1 17 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.740 2.590 17968
5409 1 17 . 1 1 30 30 LEU H H 28 8.450 8.450 8.540 -0.090 17968
5410 1 17 . 1 1 31 31 GLU N N 29 121.810 121.810 118.674 3.136 17968
5411 1 17 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.255 -0.595 17968
5412 1 17 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.463 0.267 17968
5413 1 17 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.026 0.904 17968
5414 1 17 . 1 1 31 31 GLU H H 29 8.820 8.820 8.500 0.320 17968
5415 1 17 . 1 1 32 32 CYS N N 30 125.510 125.510 121.613 3.897 17968
5416 1 17 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.103 -1.073 17968
5417 1 17 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.011 -0.781 17968
5418 1 17 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.248 3.582 17968
5419 1 17 . 1 1 32 32 CYS H H 30 8.240 8.240 8.725 -0.484 17968
5420 1 17 . 1 1 33 33 VAL N N 31 132.310 132.310 126.473 5.837 17968
5421 1 17 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.057 0.023 17968
5422 1 17 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.745 -0.415 17968
5423 1 17 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.752 -0.122 17968
5424 1 17 . 1 1 33 33 VAL H H 31 8.880 8.880 8.242 0.638 17968
5425 1 17 . 1 1 34 34 TYR N N 32 124.210 124.210 115.927 8.283 17968
5426 1 17 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.534 -0.084 17968
5427 1 17 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.556 1.474 17968
5428 1 17 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.400 0.630 17968
5429 1 17 . 1 1 34 34 TYR H H 32 8.620 8.620 7.293 1.327 17968
5430 1 17 . 1 1 35 35 CYS N N 33 119.810 119.810 116.284 3.526 17968
5431 1 17 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.379 0.421 17968
5432 1 17 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.312 0.018 17968
5433 1 17 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.679 4.551 17968
5434 1 17 . 1 1 35 35 CYS H H 33 8.090 8.090 7.830 0.260 17968
5435 1 17 . 1 1 36 36 LYS N N 34 119.810 119.810 115.732 4.078 17968
5436 1 17 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.131 0.029 17968
5437 1 17 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.151 0.680 17968
5438 1 17 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.550 -1.320 17968
5439 1 17 . 1 1 36 36 LYS H H 34 7.870 7.870 8.157 -0.287 17968
5440 1 17 . 1 1 37 37 GLN N N 35 120.610 120.610 116.402 4.208 17968
5441 1 17 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.465 -0.095 17968
5442 1 17 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.046 0.384 17968
5443 1 17 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.736 -0.006 17968
5444 1 17 . 1 1 37 37 GLN H H 35 8.250 8.250 7.990 0.260 17968
5445 1 17 . 1 1 38 38 GLN N N 36 123.610 123.610 120.864 2.746 17968
5446 1 17 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.488 -0.128 17968
5447 1 17 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.066 0.764 17968
5448 1 17 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.041 0.389 17968
5449 1 17 . 1 1 38 38 GLN H H 36 8.630 8.630 8.489 0.141 17968
5450 1 17 . 1 1 39 39 LEU N N 37 131.410 131.410 126.805 4.605 17968
5451 1 17 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.347 -0.247 17968
5452 1 17 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.894 2.336 17968
5453 1 17 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.700 -0.570 17968
5454 1 17 . 1 1 39 39 LEU H H 37 8.830 8.830 8.741 0.089 17968
5455 1 17 . 1 1 40 40 LEU N N 38 126.410 126.410 121.715 4.695 17968
5456 1 17 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.497 -0.207 17968
5457 1 17 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.741 0.589 17968
5458 1 17 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.308 -0.378 17968
5459 1 17 . 1 1 40 40 LEU H H 38 9.780 9.780 8.366 1.414 17968
5460 1 17 . 1 1 41 41 ARG N N 39 126.610 126.610 120.777 5.833 17968
5461 1 17 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.771 -0.321 17968
5462 1 17 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.455 -1.524 17968
5463 1 17 . 1 1 41 41 ARG CB C 39 27.030 27.030 30.000 -2.970 17968
5464 1 17 . 1 1 41 41 ARG H H 39 8.880 8.880 8.662 0.218 17968
5465 1 17 . 1 1 42 42 ARG N N 40 116.410 116.410 118.683 -2.273 17968
5466 1 17 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.134 -0.134 17968
5467 1 17 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.399 -0.869 17968
5468 1 17 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.806 3.024 17968
5469 1 17 . 1 1 42 42 ARG H H 40 8.590 8.590 8.509 0.081 17968
5470 1 17 . 1 1 43 43 GLU N N 41 117.710 117.710 118.706 -0.996 17968
5471 1 17 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.250 0.010 17968
5472 1 17 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.602 0.328 17968
5473 1 17 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.981 1.549 17968
5474 1 17 . 1 1 43 43 GLU H H 41 6.800 6.800 7.804 -1.004 17968
5475 1 17 . 1 1 44 44 VAL N N 42 124.710 124.710 121.040 3.670 17968
5476 1 17 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.553 -0.373 17968
5477 1 17 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.478 1.052 17968
5478 1 17 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.435 -0.105 17968
5479 1 17 . 1 1 44 44 VAL H H 42 7.760 7.760 7.889 -0.129 17968
5480 1 17 . 1 1 45 45 TYR N N 43 118.310 118.310 117.967 0.343 17968
5481 1 17 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.203 -0.013 17968
5482 1 17 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.788 -0.659 17968
5483 1 17 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.636 1.093 17968
5484 1 17 . 1 1 45 45 TYR H H 43 7.600 7.600 7.494 0.106 17968
5485 1 17 . 1 1 46 46 ASP N N 44 120.910 120.910 120.271 0.639 17968
5486 1 17 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.453 0.257 17968
5487 1 17 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.505 0.525 17968
5488 1 17 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.861 -0.031 17968
5489 1 17 . 1 1 46 46 ASP H H 44 8.660 8.660 7.674 0.986 17968
5490 1 17 . 1 1 47 47 PHE N N 45 125.310 125.310 120.162 5.148 17968
5491 1 17 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.209 -0.279 17968
5492 1 17 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.752 0.878 17968
5493 1 17 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.139 -0.109 17968
5494 1 17 . 1 1 47 47 PHE H H 45 8.250 8.250 8.065 0.185 17968
5495 1 17 . 1 1 48 48 ALA N N 46 119.710 119.710 119.773 -0.063 17968
5496 1 17 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.291 0.209 17968
5497 1 17 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.445 0.685 17968
5498 1 17 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.577 0.153 17968
5499 1 17 . 1 1 48 48 ALA H H 46 7.790 7.790 7.354 0.436 17968
5500 1 17 . 1 1 49 49 PHE N N 47 123.210 123.210 118.963 4.247 17968
5501 1 17 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.326 0.224 17968
5502 1 17 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.365 0.165 17968
5503 1 17 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.749 -0.719 17968
5504 1 17 . 1 1 49 49 PHE H H 47 9.040 9.040 7.925 1.115 17968
5505 1 17 . 1 1 50 50 ARG N N 48 119.810 119.810 118.175 1.635 17968
5506 1 17 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.384 -0.334 17968
5507 1 17 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.105 3.025 17968
5508 1 17 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.230 -1.200 17968
5509 1 17 . 1 1 50 50 ARG H H 48 8.100 8.100 7.557 0.543 17968
5510 1 17 . 1 1 51 51 ASP N N 49 120.910 120.910 121.360 -0.450 17968
5511 1 17 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.644 -0.194 17968
5512 1 17 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.223 0.307 17968
5513 1 17 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.931 -0.001 17968
5514 1 17 . 1 1 51 51 ASP H H 49 8.010 8.010 8.500 -0.490 17968
5515 1 17 . 1 1 52 52 LEU N N 50 118.510 118.510 124.018 -5.508 17968
5516 1 17 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.472 -0.302 17968
5517 1 17 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.910 0.320 17968
5518 1 17 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.440 -3.209 17968
5519 1 17 . 1 1 52 52 LEU H H 50 6.720 6.720 7.629 -0.909 17968
5520 1 17 . 1 1 53 53 CYS N N 51 117.410 117.410 118.604 -1.194 17968
5521 1 17 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.015 -0.105 17968
5522 1 17 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.169 1.561 17968
5523 1 17 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.845 -2.115 17968
5524 1 17 . 1 1 53 53 CYS H H 51 8.030 8.030 8.278 -0.248 17968
5525 1 17 . 1 1 54 54 ILE N N 52 125.110 125.110 124.330 0.780 17968
5526 1 17 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.248 -0.258 17968
5527 1 17 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.811 -1.881 17968
5528 1 17 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.630 -0.900 17968
5529 1 17 . 1 1 54 54 ILE H H 52 8.450 8.450 8.470 -0.020 17968
5530 1 17 . 1 1 55 55 VAL N N 53 127.010 127.010 123.234 3.776 17968
5531 1 17 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.371 -0.021 17968
5532 1 17 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.117 -0.487 17968
5533 1 17 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.821 1.409 17968
5534 1 17 . 1 1 55 55 VAL H H 53 8.120 8.120 8.016 0.104 17968
5535 1 17 . 1 1 56 56 TYR N N 54 125.010 125.010 125.165 -0.155 17968
5536 1 17 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.259 0.121 17968
5537 1 17 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.017 0.413 17968
5538 1 17 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.772 1.258 17968
5539 1 17 . 1 1 56 56 TYR H H 54 8.710 8.710 8.584 0.126 17968
5540 1 17 . 1 1 57 57 ARG N N 55 123.810 123.810 125.590 -1.780 17968
5541 1 17 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.468 0.162 17968
5542 1 17 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.313 0.017 17968
5543 1 17 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.126 1.704 17968
5544 1 17 . 1 1 57 57 ARG H H 55 8.860 8.860 8.604 0.256 17968
5545 1 17 . 1 1 58 58 ASP N N 56 129.110 129.110 125.084 4.026 17968
5546 1 17 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.341 -0.041 17968
5547 1 17 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.625 -0.895 17968
5548 1 17 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.624 -0.494 17968
5549 1 17 . 1 1 58 58 ASP H H 56 9.630 9.630 9.157 0.473 17968
5550 1 17 . 1 1 59 59 GLY N N 57 104.510 104.510 106.783 -2.273 17968
5551 1 17 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.571 0.059 17968
5552 1 17 . 1 1 59 59 GLY H H 57 8.710 8.710 8.609 0.101 17968
5553 1 17 . 1 1 60 60 ASN N N 58 122.110 122.110 118.826 3.284 17968
5554 1 17 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.250 0.130 17968
5555 1 17 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.371 -0.041 17968
5556 1 17 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.215 -0.785 17968
5557 1 17 . 1 1 60 60 ASN H H 58 8.130 8.130 7.946 0.184 17968
5558 1 17 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.424 0.346 17968
5559 1 17 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.496 -0.466 17968
5560 1 17 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.053 2.377 17968
5561 1 17 . 1 1 62 62 TYR N N 60 119.910 119.910 123.870 -3.960 17968
5562 1 17 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.895 -0.545 17968
5563 1 17 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.336 1.794 17968
5564 1 17 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.290 1.140 17968
5565 1 17 . 1 1 62 62 TYR H H 60 8.580 8.580 7.879 0.701 17968
5566 1 17 . 1 1 63 63 ALA N N 61 123.710 123.710 122.006 1.704 17968
5567 1 17 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.568 -0.188 17968
5568 1 17 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.814 -0.484 17968
5569 1 17 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.215 -0.986 17968
5570 1 17 . 1 1 63 63 ALA H H 61 7.980 7.980 8.765 -0.785 17968
5571 1 17 . 1 1 64 64 VAL N N 62 120.610 120.610 119.764 0.846 17968
5572 1 17 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.272 1.208 17968
5573 1 17 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.806 -0.476 17968
5574 1 17 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.140 4.090 17968
5575 1 17 . 1 1 64 64 VAL H H 62 6.330 6.330 8.496 -2.166 17968
5576 1 17 . 1 1 65 65 CYS N N 63 130.310 130.310 124.239 6.071 17968
5577 1 17 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.673 -0.113 17968
5578 1 17 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.271 1.159 17968
5579 1 17 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.819 1.211 17968
5580 1 17 . 1 1 65 65 CYS H H 63 9.420 9.420 8.733 0.687 17968
5581 1 17 . 1 1 66 66 ASP N N 64 121.110 121.110 119.968 1.142 17968
5582 1 17 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.374 0.036 17968
5583 1 17 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.474 0.956 17968
5584 1 17 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.944 1.586 17968
5585 1 17 . 1 1 66 66 ASP H H 64 9.040 9.040 9.048 -0.008 17968
5586 1 17 . 1 1 67 67 LYS N N 65 121.910 121.910 118.963 2.947 17968
5587 1 17 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.336 -0.346 17968
5588 1 17 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.783 1.347 17968
5589 1 17 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.922 -0.092 17968
5590 1 17 . 1 1 67 67 LYS H H 65 8.330 8.330 7.717 0.613 17968
5591 1 17 . 1 1 68 68 CYS N N 66 125.510 125.510 119.865 5.645 17968
5592 1 17 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.798 -0.688 17968
5593 1 17 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.776 1.954 17968
5594 1 17 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.038 4.592 17968
5595 1 17 . 1 1 68 68 CYS H H 66 8.690 8.690 7.914 0.776 17968
5596 1 17 . 1 1 69 69 LEU N N 67 125.110 125.110 121.687 3.423 17968
5597 1 17 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.015 0.015 17968
5598 1 17 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.289 0.341 17968
5599 1 17 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.066 0.164 17968
5600 1 17 . 1 1 69 69 LEU H H 67 8.460 8.460 8.536 -0.076 17968
5601 1 17 . 1 1 70 70 LYS N N 68 119.210 119.210 117.275 1.935 17968
5602 1 17 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.153 -0.173 17968
5603 1 17 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.264 0.766 17968
5604 1 17 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.238 -0.008 17968
5605 1 17 . 1 1 70 70 LYS H H 68 7.830 7.830 7.811 0.019 17968
5606 1 17 . 1 1 71 71 PHE N N 69 121.710 121.710 118.921 2.789 17968
5607 1 17 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.406 -0.136 17968
5608 1 17 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.475 -0.345 17968
5609 1 17 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.767 -0.337 17968
5610 1 17 . 1 1 71 71 PHE H H 69 7.810 7.810 7.339 0.471 17968
5611 1 18 . 1 1 4 4 PHE N N 2 122.310 122.310 123.794 -1.484 17968
5612 1 18 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.967 -0.347 17968
5613 1 18 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.183 -0.853 17968
5614 1 18 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.214 -2.784 17968
5615 1 18 . 1 1 4 4 PHE H H 2 8.370 8.370 8.866 -0.496 17968
5616 1 18 . 1 1 5 5 GLN N N 3 123.510 123.510 122.783 0.727 17968
5617 1 18 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.589 -0.399 17968
5618 1 18 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.452 1.578 17968
5619 1 18 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.179 -1.249 17968
5620 1 18 . 1 1 5 5 GLN H H 3 8.250 8.250 8.146 0.104 17968
5621 1 18 . 1 1 6 6 ASP N N 4 125.010 125.010 120.118 4.892 17968
5622 1 18 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.492 0.348 17968
5623 1 18 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.378 -1.348 17968
5624 1 18 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.526 0.204 17968
5625 1 18 . 1 1 6 6 ASP H H 4 8.410 8.410 8.371 0.039 17968
5626 1 18 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.328 -0.208 17968
5627 1 18 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.557 0.573 17968
5628 1 18 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.280 0.050 17968
5629 1 18 . 1 1 8 8 GLN N N 6 119.710 119.710 119.614 0.096 17968
5630 1 18 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.397 -0.247 17968
5631 1 18 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.896 0.734 17968
5632 1 18 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.152 1.177 17968
5633 1 18 . 1 1 8 8 GLN H H 6 8.430 8.430 7.550 0.880 17968
5634 1 18 . 1 1 9 9 GLU N N 7 122.110 122.110 124.184 -2.074 17968
5635 1 18 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.211 -0.031 17968
5636 1 18 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.758 0.372 17968
5637 1 18 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.507 0.023 17968
5638 1 18 . 1 1 9 9 GLU H H 7 7.940 7.940 8.507 -0.567 17968
5639 1 18 . 1 1 10 10 ARG N N 8 123.410 123.410 117.075 6.335 17968
5640 1 18 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.147 0.263 17968
5641 1 18 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.880 -1.750 17968
5642 1 18 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.196 1.134 17968
5643 1 18 . 1 1 10 10 ARG H H 8 7.670 7.670 8.928 -1.258 17968
5644 1 18 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.522 -0.182 17968
5645 1 18 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.106 1.424 17968
5646 1 18 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.521 0.109 17968
5647 1 18 . 1 1 12 12 ARG N N 10 123.810 123.810 119.992 3.818 17968
5648 1 18 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.621 0.039 17968
5649 1 18 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.713 1.117 17968
5650 1 18 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.259 2.271 17968
5651 1 18 . 1 1 12 12 ARG H H 10 8.700 8.700 8.610 0.090 17968
5652 1 18 . 1 1 13 13 LYS N N 11 118.310 118.310 118.056 0.254 17968
5653 1 18 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.717 0.333 17968
5654 1 18 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.781 -0.551 17968
5655 1 18 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.185 1.445 17968
5656 1 18 . 1 1 13 13 LYS H H 11 7.810 7.810 7.665 0.145 17968
5657 1 18 . 1 1 14 14 LEU N N 12 124.810 124.810 128.601 -3.791 17968
5658 1 18 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.230 -0.080 17968
5659 1 18 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.725 -0.095 17968
5660 1 18 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.841 0.689 17968
5661 1 18 . 1 1 14 14 LEU H H 12 10.210 10.210 9.217 0.993 17968
5662 1 18 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.140 0.030 17968
5663 1 18 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.760 1.571 17968
5664 1 18 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.931 -0.401 17968
5665 1 18 . 1 1 16 16 GLN N N 14 117.710 117.710 117.456 0.254 17968
5666 1 18 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.209 -0.049 17968
5667 1 18 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.951 1.179 17968
5668 1 18 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.938 -0.308 17968
5669 1 18 . 1 1 16 16 GLN H H 14 7.100 7.100 7.531 -0.431 17968
5670 1 18 . 1 1 17 17 LEU N N 15 124.610 124.610 122.694 1.916 17968
5671 1 18 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.077 -0.077 17968
5672 1 18 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.938 0.693 17968
5673 1 18 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.764 0.266 17968
5674 1 18 . 1 1 17 17 LEU H H 15 8.020 8.020 8.520 -0.500 17968
5675 1 18 . 1 1 18 18 CYS N N 16 117.210 117.210 116.566 0.644 17968
5676 1 18 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.038 -0.308 17968
5677 1 18 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.773 1.057 17968
5678 1 18 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.207 0.023 17968
5679 1 18 . 1 1 18 18 CYS H H 16 8.410 8.410 8.253 0.157 17968
5680 1 18 . 1 1 19 19 THR N N 17 117.710 117.710 116.212 1.498 17968
5681 1 18 . 1 1 19 19 THR HA H 17 3.990 3.990 4.059 -0.069 17968
5682 1 18 . 1 1 19 19 THR CA C 17 66.830 66.830 66.761 0.069 17968
5683 1 18 . 1 1 19 19 THR CB C 17 68.830 68.830 68.557 0.273 17968
5684 1 18 . 1 1 19 19 THR H H 17 7.670 7.670 7.435 0.235 17968
5685 1 18 . 1 1 20 20 GLU N N 18 125.410 125.410 121.926 3.484 17968
5686 1 18 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.237 -0.177 17968
5687 1 18 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.315 0.516 17968
5688 1 18 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.577 0.053 17968
5689 1 18 . 1 1 20 20 GLU H H 18 7.980 7.980 7.693 0.287 17968
5690 1 18 . 1 1 21 21 LEU N N 19 118.810 118.810 117.159 1.651 17968
5691 1 18 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.525 -0.235 17968
5692 1 18 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.874 0.056 17968
5693 1 18 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.198 0.032 17968
5694 1 18 . 1 1 21 21 LEU H H 19 7.990 7.990 7.622 0.368 17968
5695 1 18 . 1 1 22 22 GLN N N 20 118.310 118.310 117.215 1.095 17968
5696 1 18 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.072 -0.132 17968
5697 1 18 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.204 -0.574 17968
5698 1 18 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.114 0.016 17968
5699 1 18 . 1 1 22 22 GLN H H 20 7.850 7.850 7.764 0.086 17968
5700 1 18 . 1 1 23 23 THR N N 21 115.810 115.810 112.698 3.112 17968
5701 1 18 . 1 1 23 23 THR HA H 21 4.920 4.920 4.660 0.260 17968
5702 1 18 . 1 1 23 23 THR CA C 21 58.730 58.730 60.293 -1.563 17968
5703 1 18 . 1 1 23 23 THR CB C 21 70.330 70.330 70.420 -0.090 17968
5704 1 18 . 1 1 23 23 THR H H 21 8.210 8.210 8.480 -0.270 17968
5705 1 18 . 1 1 24 24 THR N N 22 112.810 112.810 111.541 1.269 17968
5706 1 18 . 1 1 24 24 THR HA H 22 4.860 4.860 4.706 0.154 17968
5707 1 18 . 1 1 24 24 THR CA C 22 59.830 59.830 59.638 0.192 17968
5708 1 18 . 1 1 24 24 THR CB C 22 74.030 74.030 71.333 2.697 17968
5709 1 18 . 1 1 24 24 THR H H 22 8.620 8.620 7.882 0.738 17968
5710 1 18 . 1 1 25 25 ILE N N 23 124.310 124.310 117.545 6.765 17968
5711 1 18 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.793 -0.133 17968
5712 1 18 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.320 -0.590 17968
5713 1 18 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.929 0.301 17968
5714 1 18 . 1 1 25 25 ILE H H 23 9.020 9.020 8.356 0.664 17968
5715 1 18 . 1 1 26 26 HIS N N 24 119.210 119.210 113.423 5.787 17968
5716 1 18 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.698 -0.318 17968
5717 1 18 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.846 -0.416 17968
5718 1 18 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.888 0.842 17968
5719 1 18 . 1 1 26 26 HIS H H 24 6.870 6.870 7.354 -0.484 17968
5720 1 18 . 1 1 27 27 ASP N N 25 116.510 116.510 119.386 -2.876 17968
5721 1 18 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.665 0.085 17968
5722 1 18 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.448 -0.018 17968
5723 1 18 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.754 1.576 17968
5724 1 18 . 1 1 27 27 ASP H H 25 7.220 7.220 7.651 -0.431 17968
5725 1 18 . 1 1 28 28 ILE N N 26 123.310 123.310 122.143 1.167 17968
5726 1 18 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.864 0.036 17968
5727 1 18 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.565 0.565 17968
5728 1 18 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.563 -0.633 17968
5729 1 18 . 1 1 28 28 ILE H H 26 7.690 7.690 7.892 -0.202 17968
5730 1 18 . 1 1 29 29 ILE N N 27 130.910 130.910 128.594 2.316 17968
5731 1 18 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.117 0.243 17968
5732 1 18 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.667 -0.837 17968
5733 1 18 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.025 0.705 17968
5734 1 18 . 1 1 29 29 ILE H H 27 8.230 8.230 8.201 0.029 17968
5735 1 18 . 1 1 30 30 LEU N N 28 129.310 129.310 128.394 0.916 17968
5736 1 18 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.451 0.199 17968
5737 1 18 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.739 -1.209 17968
5738 1 18 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.724 2.606 17968
5739 1 18 . 1 1 30 30 LEU H H 28 8.450 8.450 8.559 -0.109 17968
5740 1 18 . 1 1 31 31 GLU N N 29 121.810 121.810 120.008 1.802 17968
5741 1 18 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.965 -0.305 17968
5742 1 18 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.128 0.602 17968
5743 1 18 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.745 0.185 17968
5744 1 18 . 1 1 31 31 GLU H H 29 8.820 8.820 8.140 0.680 17968
5745 1 18 . 1 1 32 32 CYS N N 30 125.510 125.510 121.284 4.226 17968
5746 1 18 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.779 -0.749 17968
5747 1 18 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.643 -1.413 17968
5748 1 18 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.704 4.126 17968
5749 1 18 . 1 1 32 32 CYS H H 30 8.240 8.240 8.759 -0.519 17968
5750 1 18 . 1 1 33 33 VAL N N 31 132.310 132.310 127.843 4.467 17968
5751 1 18 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.295 -0.215 17968
5752 1 18 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.461 -1.131 17968
5753 1 18 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.855 -0.225 17968
5754 1 18 . 1 1 33 33 VAL H H 31 8.880 8.880 8.470 0.410 17968
5755 1 18 . 1 1 34 34 TYR N N 32 124.210 124.210 117.614 6.596 17968
5756 1 18 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.506 -0.056 17968
5757 1 18 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.679 0.351 17968
5758 1 18 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.770 1.260 17968
5759 1 18 . 1 1 34 34 TYR H H 32 8.620 8.620 7.475 1.145 17968
5760 1 18 . 1 1 35 35 CYS N N 33 119.810 119.810 115.814 3.996 17968
5761 1 18 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.370 0.430 17968
5762 1 18 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.625 -0.295 17968
5763 1 18 . 1 1 35 35 CYS CB C 33 32.230 32.230 26.995 5.235 17968
5764 1 18 . 1 1 35 35 CYS H H 33 8.090 8.090 7.872 0.218 17968
5765 1 18 . 1 1 36 36 LYS N N 34 119.810 119.810 115.998 3.812 17968
5766 1 18 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.198 -0.038 17968
5767 1 18 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.096 0.735 17968
5768 1 18 . 1 1 36 36 LYS CB C 34 29.230 29.230 31.005 -1.775 17968
5769 1 18 . 1 1 36 36 LYS H H 34 7.870 7.870 7.801 0.069 17968
5770 1 18 . 1 1 37 37 GLN N N 35 120.610 120.610 117.333 3.277 17968
5771 1 18 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.407 -0.037 17968
5772 1 18 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.173 0.257 17968
5773 1 18 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.141 0.589 17968
5774 1 18 . 1 1 37 37 GLN H H 35 8.250 8.250 8.060 0.190 17968
5775 1 18 . 1 1 38 38 GLN N N 36 123.610 123.610 123.191 0.419 17968
5776 1 18 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.238 0.122 17968
5777 1 18 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.383 0.447 17968
5778 1 18 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.858 0.572 17968
5779 1 18 . 1 1 38 38 GLN H H 36 8.630 8.630 8.612 0.018 17968
5780 1 18 . 1 1 39 39 LEU N N 37 131.410 131.410 126.744 4.666 17968
5781 1 18 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.368 -0.268 17968
5782 1 18 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.225 3.005 17968
5783 1 18 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.450 -0.320 17968
5784 1 18 . 1 1 39 39 LEU H H 37 8.830 8.830 8.675 0.155 17968
5785 1 18 . 1 1 40 40 LEU N N 38 126.410 126.410 123.270 3.140 17968
5786 1 18 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.200 0.090 17968
5787 1 18 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.892 -0.562 17968
5788 1 18 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.171 0.759 17968
5789 1 18 . 1 1 40 40 LEU H H 38 9.780 9.780 8.557 1.223 17968
5790 1 18 . 1 1 41 41 ARG N N 39 126.610 126.610 122.259 4.351 17968
5791 1 18 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.650 -0.200 17968
5792 1 18 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.913 -0.983 17968
5793 1 18 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.731 -2.701 17968
5794 1 18 . 1 1 41 41 ARG H H 39 8.880 8.880 8.697 0.183 17968
5795 1 18 . 1 1 42 42 ARG N N 40 116.410 116.410 118.988 -2.578 17968
5796 1 18 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.796 0.204 17968
5797 1 18 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.099 -0.569 17968
5798 1 18 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.796 3.034 17968
5799 1 18 . 1 1 42 42 ARG H H 40 8.590 8.590 8.436 0.154 17968
5800 1 18 . 1 1 43 43 GLU N N 41 117.710 117.710 117.907 -0.197 17968
5801 1 18 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.180 0.080 17968
5802 1 18 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.412 0.518 17968
5803 1 18 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.359 1.171 17968
5804 1 18 . 1 1 43 43 GLU H H 41 6.800 6.800 7.675 -0.875 17968
5805 1 18 . 1 1 44 44 VAL N N 42 124.710 124.710 120.290 4.420 17968
5806 1 18 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.601 -0.421 17968
5807 1 18 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.265 1.265 17968
5808 1 18 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.415 -0.085 17968
5809 1 18 . 1 1 44 44 VAL H H 42 7.760 7.760 7.449 0.311 17968
5810 1 18 . 1 1 45 45 TYR N N 43 118.310 118.310 117.536 0.774 17968
5811 1 18 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.260 -0.070 17968
5812 1 18 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.838 0.292 17968
5813 1 18 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.086 1.644 17968
5814 1 18 . 1 1 45 45 TYR H H 43 7.600 7.600 7.674 -0.074 17968
5815 1 18 . 1 1 46 46 ASP N N 44 120.910 120.910 119.805 1.105 17968
5816 1 18 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.537 0.173 17968
5817 1 18 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.197 0.833 17968
5818 1 18 . 1 1 46 46 ASP CB C 44 40.830 40.830 41.024 -0.194 17968
5819 1 18 . 1 1 46 46 ASP H H 44 8.660 8.660 7.720 0.940 17968
5820 1 18 . 1 1 47 47 PHE N N 45 125.310 125.310 120.916 4.394 17968
5821 1 18 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968
5822 1 18 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.136 1.494 17968
5823 1 18 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.363 -0.333 17968
5824 1 18 . 1 1 47 47 PHE H H 45 8.250 8.250 7.673 0.577 17968
5825 1 18 . 1 1 48 48 ALA N N 46 119.710 119.710 119.621 0.089 17968
5826 1 18 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.305 0.195 17968
5827 1 18 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.319 0.811 17968
5828 1 18 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.746 -0.016 17968
5829 1 18 . 1 1 48 48 ALA H H 46 7.790 7.790 7.899 -0.109 17968
5830 1 18 . 1 1 49 49 PHE N N 47 123.210 123.210 118.106 5.104 17968
5831 1 18 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.401 0.149 17968
5832 1 18 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.039 0.491 17968
5833 1 18 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.943 -0.913 17968
5834 1 18 . 1 1 49 49 PHE H H 47 9.040 9.040 7.641 1.399 17968
5835 1 18 . 1 1 50 50 ARG N N 48 119.810 119.810 117.907 1.903 17968
5836 1 18 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.526 -0.476 17968
5837 1 18 . 1 1 50 50 ARG CA C 48 57.130 57.130 53.900 3.230 17968
5838 1 18 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.955 -0.925 17968
5839 1 18 . 1 1 50 50 ARG H H 48 8.100 8.100 7.459 0.641 17968
5840 1 18 . 1 1 51 51 ASP N N 49 120.910 120.910 120.880 0.030 17968
5841 1 18 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.617 -0.167 17968
5842 1 18 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.130 0.400 17968
5843 1 18 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.466 -0.536 17968
5844 1 18 . 1 1 51 51 ASP H H 49 8.010 8.010 8.556 -0.546 17968
5845 1 18 . 1 1 52 52 LEU N N 50 118.510 118.510 123.515 -5.005 17968
5846 1 18 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.559 -0.389 17968
5847 1 18 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.521 0.709 17968
5848 1 18 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.376 -3.146 17968
5849 1 18 . 1 1 52 52 LEU H H 50 6.720 6.720 7.655 -0.935 17968
5850 1 18 . 1 1 53 53 CYS N N 51 117.410 117.410 118.533 -1.123 17968
5851 1 18 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.752 0.158 17968
5852 1 18 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.844 0.885 17968
5853 1 18 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.547 -0.817 17968
5854 1 18 . 1 1 53 53 CYS H H 51 8.030 8.030 8.266 -0.236 17968
5855 1 18 . 1 1 54 54 ILE N N 52 125.110 125.110 123.415 1.695 17968
5856 1 18 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.421 -0.431 17968
5857 1 18 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.180 -1.250 17968
5858 1 18 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.379 -0.649 17968
5859 1 18 . 1 1 54 54 ILE H H 52 8.450 8.450 8.638 -0.188 17968
5860 1 18 . 1 1 55 55 VAL N N 53 127.010 127.010 123.372 3.638 17968
5861 1 18 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.463 -0.113 17968
5862 1 18 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.181 -0.551 17968
5863 1 18 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.029 1.202 17968
5864 1 18 . 1 1 55 55 VAL H H 53 8.120 8.120 8.301 -0.181 17968
5865 1 18 . 1 1 56 56 TYR N N 54 125.010 125.010 124.784 0.226 17968
5866 1 18 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.035 0.345 17968
5867 1 18 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.444 -0.014 17968
5868 1 18 . 1 1 56 56 TYR CB C 54 41.030 41.030 40.541 0.489 17968
5869 1 18 . 1 1 56 56 TYR H H 54 8.710 8.710 8.590 0.120 17968
5870 1 18 . 1 1 57 57 ARG N N 55 123.810 123.810 126.062 -2.252 17968
5871 1 18 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.323 0.307 17968
5872 1 18 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.719 0.611 17968
5873 1 18 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.738 3.092 17968
5874 1 18 . 1 1 57 57 ARG H H 55 8.860 8.860 8.348 0.512 17968
5875 1 18 . 1 1 58 58 ASP N N 56 129.110 129.110 126.211 2.899 17968
5876 1 18 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.246 0.054 17968
5877 1 18 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.527 -0.797 17968
5878 1 18 . 1 1 58 58 ASP CB C 56 40.130 40.130 39.877 0.253 17968
5879 1 18 . 1 1 58 58 ASP H H 56 9.630 9.630 8.985 0.645 17968
5880 1 18 . 1 1 59 59 GLY N N 57 104.510 104.510 106.271 -1.761 17968
5881 1 18 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.178 0.452 17968
5882 1 18 . 1 1 59 59 GLY H H 57 8.710 8.710 8.413 0.297 17968
5883 1 18 . 1 1 60 60 ASN N N 58 122.110 122.110 120.227 1.883 17968
5884 1 18 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.332 0.048 17968
5885 1 18 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.099 0.231 17968
5886 1 18 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.910 -0.480 17968
5887 1 18 . 1 1 60 60 ASN H H 58 8.130 8.130 8.099 0.031 17968
5888 1 18 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.126 0.644 17968
5889 1 18 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.745 -0.715 17968
5890 1 18 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.605 1.825 17968
5891 1 18 . 1 1 62 62 TYR N N 60 119.910 119.910 122.888 -2.978 17968
5892 1 18 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.474 -0.124 17968
5893 1 18 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.079 1.051 17968
5894 1 18 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.309 0.122 17968
5895 1 18 . 1 1 62 62 TYR H H 60 8.580 8.580 7.935 0.645 17968
5896 1 18 . 1 1 63 63 ALA N N 61 123.710 123.710 120.599 3.111 17968
5897 1 18 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.623 -0.243 17968
5898 1 18 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.037 -0.707 17968
5899 1 18 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.880 -1.650 17968
5900 1 18 . 1 1 63 63 ALA H H 61 7.980 7.980 9.041 -1.061 17968
5901 1 18 . 1 1 64 64 VAL N N 62 120.610 120.610 117.737 2.873 17968
5902 1 18 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.394 1.086 17968
5903 1 18 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.837 0.493 17968
5904 1 18 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.810 2.420 17968
5905 1 18 . 1 1 64 64 VAL H H 62 6.330 6.330 8.267 -1.937 17968
5906 1 18 . 1 1 65 65 CYS N N 63 130.310 130.310 123.705 6.605 17968
5907 1 18 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.642 -0.082 17968
5908 1 18 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.552 0.878 17968
5909 1 18 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.879 1.151 17968
5910 1 18 . 1 1 65 65 CYS H H 63 9.420 9.420 8.546 0.874 17968
5911 1 18 . 1 1 66 66 ASP N N 64 121.110 121.110 120.020 1.090 17968
5912 1 18 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.320 0.090 17968
5913 1 18 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.969 0.461 17968
5914 1 18 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.859 1.671 17968
5915 1 18 . 1 1 66 66 ASP H H 64 9.040 9.040 9.004 0.036 17968
5916 1 18 . 1 1 67 67 LYS N N 65 121.910 121.910 119.553 2.357 17968
5917 1 18 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.241 -0.251 17968
5918 1 18 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.310 0.820 17968
5919 1 18 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.541 0.289 17968
5920 1 18 . 1 1 67 67 LYS H H 65 8.330 8.330 8.220 0.110 17968
5921 1 18 . 1 1 68 68 CYS N N 66 125.510 125.510 119.013 6.497 17968
5922 1 18 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.691 -0.581 17968
5923 1 18 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.123 1.607 17968
5924 1 18 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.953 4.677 17968
5925 1 18 . 1 1 68 68 CYS H H 66 8.690 8.690 7.847 0.843 17968
5926 1 18 . 1 1 69 69 LEU N N 67 125.110 125.110 122.197 2.913 17968
5927 1 18 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.189 -0.159 17968
5928 1 18 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.486 0.144 17968
5929 1 18 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.331 -0.101 17968
5930 1 18 . 1 1 69 69 LEU H H 67 8.460 8.460 8.691 -0.231 17968
5931 1 18 . 1 1 70 70 LYS N N 68 119.210 119.210 117.225 1.985 17968
5932 1 18 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.132 -0.152 17968
5933 1 18 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.234 0.796 17968
5934 1 18 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.742 -0.512 17968
5935 1 18 . 1 1 70 70 LYS H H 68 7.830 7.830 7.858 -0.028 17968
5936 1 18 . 1 1 71 71 PHE N N 69 121.710 121.710 118.836 2.874 17968
5937 1 18 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.218 0.052 17968
5938 1 18 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.767 -0.638 17968
5939 1 18 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.957 -0.527 17968
5940 1 18 . 1 1 71 71 PHE H H 69 7.810 7.810 7.536 0.274 17968
5941 1 19 . 1 1 4 4 PHE N N 2 122.310 122.310 122.558 -0.248 17968
5942 1 19 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.936 -0.316 17968
5943 1 19 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.535 -0.205 17968
5944 1 19 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.523 -3.093 17968
5945 1 19 . 1 1 4 4 PHE H H 2 8.370 8.370 8.599 -0.229 17968
5946 1 19 . 1 1 5 5 GLN N N 3 123.510 123.510 123.675 -0.165 17968
5947 1 19 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.519 -0.329 17968
5948 1 19 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.369 1.661 17968
5949 1 19 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.487 -0.557 17968
5950 1 19 . 1 1 5 5 GLN H H 3 8.250 8.250 8.122 0.128 17968
5951 1 19 . 1 1 6 6 ASP N N 4 125.010 125.010 119.137 5.873 17968
5952 1 19 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.423 0.417 17968
5953 1 19 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.346 -1.316 17968
5954 1 19 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.678 1.052 17968
5955 1 19 . 1 1 6 6 ASP H H 4 8.410 8.410 8.456 -0.046 17968
5956 1 19 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.340 -0.220 17968
5957 1 19 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.357 0.773 17968
5958 1 19 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.122 0.208 17968
5959 1 19 . 1 1 8 8 GLN N N 6 119.710 119.710 119.905 -0.195 17968
5960 1 19 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.186 -0.035 17968
5961 1 19 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.451 1.179 17968
5962 1 19 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.333 1.997 17968
5963 1 19 . 1 1 8 8 GLN H H 6 8.430 8.430 7.289 1.141 17968
5964 1 19 . 1 1 9 9 GLU N N 7 122.110 122.110 124.195 -2.085 17968
5965 1 19 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.048 0.132 17968
5966 1 19 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.409 -0.279 17968
5967 1 19 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.166 0.364 17968
5968 1 19 . 1 1 9 9 GLU H H 7 7.940 7.940 8.682 -0.742 17968
5969 1 19 . 1 1 10 10 ARG N N 8 123.410 123.410 116.290 7.120 17968
5970 1 19 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.179 0.231 17968
5971 1 19 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.675 -1.546 17968
5972 1 19 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.198 1.132 17968
5973 1 19 . 1 1 10 10 ARG H H 8 7.670 7.670 7.694 -0.024 17968
5974 1 19 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.471 -0.131 17968
5975 1 19 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.601 0.929 17968
5976 1 19 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.228 0.402 17968
5977 1 19 . 1 1 12 12 ARG N N 10 123.810 123.810 120.449 3.361 17968
5978 1 19 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.728 -0.068 17968
5979 1 19 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.842 0.988 17968
5980 1 19 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.368 2.162 17968
5981 1 19 . 1 1 12 12 ARG H H 10 8.700 8.700 8.763 -0.063 17968
5982 1 19 . 1 1 13 13 LYS N N 11 118.310 118.310 118.674 -0.364 17968
5983 1 19 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.752 0.298 17968
5984 1 19 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.041 -0.811 17968
5985 1 19 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.707 0.923 17968
5986 1 19 . 1 1 13 13 LYS H H 11 7.810 7.810 7.594 0.216 17968
5987 1 19 . 1 1 14 14 LEU N N 12 124.810 124.810 128.176 -3.366 17968
5988 1 19 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.247 -0.097 17968
5989 1 19 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.914 -0.284 17968
5990 1 19 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.932 0.598 17968
5991 1 19 . 1 1 14 14 LEU H H 12 10.210 10.210 9.239 0.971 17968
5992 1 19 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.168 0.002 17968
5993 1 19 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.801 1.529 17968
5994 1 19 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.982 -0.452 17968
5995 1 19 . 1 1 16 16 GLN N N 14 117.710 117.710 116.277 1.433 17968
5996 1 19 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.303 -0.143 17968
5997 1 19 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.484 1.646 17968
5998 1 19 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.156 -0.526 17968
5999 1 19 . 1 1 16 16 GLN H H 14 7.100 7.100 7.655 -0.555 17968
6000 1 19 . 1 1 17 17 LEU N N 15 124.610 124.610 122.585 2.025 17968
6001 1 19 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.220 -0.220 17968
6002 1 19 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.584 1.046 17968
6003 1 19 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.840 0.190 17968
6004 1 19 . 1 1 17 17 LEU H H 15 8.020 8.020 7.930 0.090 17968
6005 1 19 . 1 1 18 18 CYS N N 16 117.210 117.210 116.792 0.418 17968
6006 1 19 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.049 -0.319 17968
6007 1 19 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.640 1.190 17968
6008 1 19 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.475 -0.245 17968
6009 1 19 . 1 1 18 18 CYS H H 16 8.410 8.410 8.288 0.122 17968
6010 1 19 . 1 1 19 19 THR N N 17 117.710 117.710 114.421 3.289 17968
6011 1 19 . 1 1 19 19 THR HA H 17 3.990 3.990 4.115 -0.125 17968
6012 1 19 . 1 1 19 19 THR CA C 17 66.830 66.830 66.357 0.473 17968
6013 1 19 . 1 1 19 19 THR CB C 17 68.830 68.830 68.414 0.416 17968
6014 1 19 . 1 1 19 19 THR H H 17 7.670 7.670 7.976 -0.306 17968
6015 1 19 . 1 1 20 20 GLU N N 18 125.410 125.410 120.553 4.857 17968
6016 1 19 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.239 -0.178 17968
6017 1 19 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.102 0.728 17968
6018 1 19 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.170 0.460 17968
6019 1 19 . 1 1 20 20 GLU H H 18 7.980 7.980 7.601 0.379 17968
6020 1 19 . 1 1 21 21 LEU N N 19 118.810 118.810 118.189 0.621 17968
6021 1 19 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.412 -0.122 17968
6022 1 19 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.346 -0.416 17968
6023 1 19 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.188 0.042 17968
6024 1 19 . 1 1 21 21 LEU H H 19 7.990 7.990 7.599 0.391 17968
6025 1 19 . 1 1 22 22 GLN N N 20 118.310 118.310 115.158 3.152 17968
6026 1 19 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.024 -0.084 17968
6027 1 19 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.351 -0.721 17968
6028 1 19 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.133 -0.003 17968
6029 1 19 . 1 1 22 22 GLN H H 20 7.850 7.850 7.782 0.068 17968
6030 1 19 . 1 1 23 23 THR N N 21 115.810 115.810 113.679 2.131 17968
6031 1 19 . 1 1 23 23 THR HA H 21 4.920 4.920 4.828 0.092 17968
6032 1 19 . 1 1 23 23 THR CA C 21 58.730 58.730 60.605 -1.875 17968
6033 1 19 . 1 1 23 23 THR CB C 21 70.330 70.330 70.512 -0.182 17968
6034 1 19 . 1 1 23 23 THR H H 21 8.210 8.210 8.163 0.047 17968
6035 1 19 . 1 1 24 24 THR N N 22 112.810 112.810 112.860 -0.050 17968
6036 1 19 . 1 1 24 24 THR HA H 22 4.860 4.860 4.790 0.070 17968
6037 1 19 . 1 1 24 24 THR CA C 22 59.830 59.830 60.570 -0.740 17968
6038 1 19 . 1 1 24 24 THR CB C 22 74.030 74.030 70.510 3.520 17968
6039 1 19 . 1 1 24 24 THR H H 22 8.620 8.620 8.105 0.515 17968
6040 1 19 . 1 1 25 25 ILE N N 23 124.310 124.310 118.613 5.697 17968
6041 1 19 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.928 -0.268 17968
6042 1 19 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.119 -0.389 17968
6043 1 19 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.800 0.430 17968
6044 1 19 . 1 1 25 25 ILE H H 23 9.020 9.020 8.494 0.526 17968
6045 1 19 . 1 1 26 26 HIS N N 24 119.210 119.210 114.287 4.923 17968
6046 1 19 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.961 -0.581 17968
6047 1 19 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.221 -0.791 17968
6048 1 19 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.562 1.168 17968
6049 1 19 . 1 1 26 26 HIS H H 24 6.870 6.870 8.034 -1.164 17968
6050 1 19 . 1 1 27 27 ASP N N 25 116.510 116.510 118.369 -1.859 17968
6051 1 19 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.704 0.046 17968
6052 1 19 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.319 0.111 17968
6053 1 19 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.187 1.143 17968
6054 1 19 . 1 1 27 27 ASP H H 25 7.220 7.220 7.715 -0.495 17968
6055 1 19 . 1 1 28 28 ILE N N 26 123.310 123.310 122.745 0.565 17968
6056 1 19 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.926 -0.026 17968
6057 1 19 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.511 0.619 17968
6058 1 19 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.433 -0.503 17968
6059 1 19 . 1 1 28 28 ILE H H 26 7.690 7.690 7.685 0.005 17968
6060 1 19 . 1 1 29 29 ILE N N 27 130.910 130.910 129.385 1.525 17968
6061 1 19 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.189 0.171 17968
6062 1 19 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.080 -0.250 17968
6063 1 19 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.026 0.704 17968
6064 1 19 . 1 1 29 29 ILE H H 27 8.230 8.230 8.119 0.111 17968
6065 1 19 . 1 1 30 30 LEU N N 28 129.310 129.310 128.408 0.902 17968
6066 1 19 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.456 0.194 17968
6067 1 19 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.242 -0.712 17968
6068 1 19 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.542 2.788 17968
6069 1 19 . 1 1 30 30 LEU H H 28 8.450 8.450 8.493 -0.043 17968
6070 1 19 . 1 1 31 31 GLU N N 29 121.810 121.810 118.258 3.552 17968
6071 1 19 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.923 -0.263 17968
6072 1 19 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.388 0.342 17968
6073 1 19 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.985 0.945 17968
6074 1 19 . 1 1 31 31 GLU H H 29 8.820 8.820 8.306 0.514 17968
6075 1 19 . 1 1 32 32 CYS N N 30 125.510 125.510 121.235 4.275 17968
6076 1 19 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.909 -0.879 17968
6077 1 19 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.489 -1.259 17968
6078 1 19 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.921 3.909 17968
6079 1 19 . 1 1 32 32 CYS H H 30 8.240 8.240 8.900 -0.660 17968
6080 1 19 . 1 1 33 33 VAL N N 31 132.310 132.310 127.506 4.804 17968
6081 1 19 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.503 -0.423 17968
6082 1 19 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.289 0.041 17968
6083 1 19 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.024 -0.394 17968
6084 1 19 . 1 1 33 33 VAL H H 31 8.880 8.880 8.784 0.096 17968
6085 1 19 . 1 1 34 34 TYR N N 32 124.210 124.210 116.092 8.118 17968
6086 1 19 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.523 -0.073 17968
6087 1 19 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.788 0.242 17968
6088 1 19 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.667 0.363 17968
6089 1 19 . 1 1 34 34 TYR H H 32 8.620 8.620 7.555 1.065 17968
6090 1 19 . 1 1 35 35 CYS N N 33 119.810 119.810 113.479 6.331 17968
6091 1 19 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.688 0.112 17968
6092 1 19 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.876 1.454 17968
6093 1 19 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.095 5.135 17968
6094 1 19 . 1 1 35 35 CYS H H 33 8.090 8.090 7.881 0.209 17968
6095 1 19 . 1 1 36 36 LYS N N 34 119.810 119.810 116.862 2.948 17968
6096 1 19 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.268 -0.108 17968
6097 1 19 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.134 0.696 17968
6098 1 19 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.890 -0.660 17968
6099 1 19 . 1 1 36 36 LYS H H 34 7.870 7.870 7.873 -0.003 17968
6100 1 19 . 1 1 37 37 GLN N N 35 120.610 120.610 118.076 2.534 17968
6101 1 19 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.256 0.114 17968
6102 1 19 . 1 1 37 37 GLN CA C 35 55.430 55.430 56.043 -0.613 17968
6103 1 19 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.207 0.523 17968
6104 1 19 . 1 1 37 37 GLN H H 35 8.250 8.250 8.073 0.177 17968
6105 1 19 . 1 1 38 38 GLN N N 36 123.610 123.610 123.038 0.572 17968
6106 1 19 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.118 0.242 17968
6107 1 19 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.189 0.641 17968
6108 1 19 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.744 0.686 17968
6109 1 19 . 1 1 38 38 GLN H H 36 8.630 8.630 8.566 0.064 17968
6110 1 19 . 1 1 39 39 LEU N N 37 131.410 131.410 126.893 4.517 17968
6111 1 19 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.273 -0.173 17968
6112 1 19 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.734 2.496 17968
6113 1 19 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.567 -0.437 17968
6114 1 19 . 1 1 39 39 LEU H H 37 8.830 8.830 8.484 0.346 17968
6115 1 19 . 1 1 40 40 LEU N N 38 126.410 126.410 122.710 3.700 17968
6116 1 19 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.329 -0.039 17968
6117 1 19 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.554 -0.224 17968
6118 1 19 . 1 1 40 40 LEU CB C 38 42.930 42.930 44.205 -1.275 17968
6119 1 19 . 1 1 40 40 LEU H H 38 9.780 9.780 8.424 1.356 17968
6120 1 19 . 1 1 41 41 ARG N N 39 126.610 126.610 121.964 4.646 17968
6121 1 19 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.612 -0.162 17968
6122 1 19 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.905 -0.975 17968
6123 1 19 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.338 -2.308 17968
6124 1 19 . 1 1 41 41 ARG H H 39 8.880 8.880 8.569 0.311 17968
6125 1 19 . 1 1 42 42 ARG N N 40 116.410 116.410 118.910 -2.500 17968
6126 1 19 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.018 -0.018 17968
6127 1 19 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.266 -0.736 17968
6128 1 19 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.834 2.996 17968
6129 1 19 . 1 1 42 42 ARG H H 40 8.590 8.590 8.493 0.097 17968
6130 1 19 . 1 1 43 43 GLU N N 41 117.710 117.710 118.067 -0.357 17968
6131 1 19 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.194 0.066 17968
6132 1 19 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.117 0.813 17968
6133 1 19 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.206 1.324 17968
6134 1 19 . 1 1 43 43 GLU H H 41 6.800 6.800 7.682 -0.882 17968
6135 1 19 . 1 1 44 44 VAL N N 42 124.710 124.710 120.341 4.369 17968
6136 1 19 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.590 -0.410 17968
6137 1 19 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.353 1.177 17968
6138 1 19 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.383 -0.052 17968
6139 1 19 . 1 1 44 44 VAL H H 42 7.760 7.760 7.595 0.165 17968
6140 1 19 . 1 1 45 45 TYR N N 43 118.310 118.310 118.240 0.070 17968
6141 1 19 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.222 -0.032 17968
6142 1 19 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.995 0.135 17968
6143 1 19 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.169 1.561 17968
6144 1 19 . 1 1 45 45 TYR H H 43 7.600 7.600 7.515 0.085 17968
6145 1 19 . 1 1 46 46 ASP N N 44 120.910 120.910 119.565 1.345 17968
6146 1 19 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.464 0.246 17968
6147 1 19 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.139 0.891 17968
6148 1 19 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.807 0.023 17968
6149 1 19 . 1 1 46 46 ASP H H 44 8.660 8.660 7.649 1.011 17968
6150 1 19 . 1 1 47 47 PHE N N 45 125.310 125.310 119.129 6.181 17968
6151 1 19 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.247 -0.317 17968
6152 1 19 . 1 1 47 47 PHE CA C 45 62.630 62.630 60.960 1.670 17968
6153 1 19 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.422 -0.392 17968
6154 1 19 . 1 1 47 47 PHE H H 45 8.250 8.250 7.728 0.522 17968
6155 1 19 . 1 1 48 48 ALA N N 46 119.710 119.710 120.346 -0.636 17968
6156 1 19 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.287 0.213 17968
6157 1 19 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.231 0.899 17968
6158 1 19 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.946 -0.216 17968
6159 1 19 . 1 1 48 48 ALA H H 46 7.790 7.790 7.492 0.298 17968
6160 1 19 . 1 1 49 49 PHE N N 47 123.210 123.210 117.837 5.373 17968
6161 1 19 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.526 0.024 17968
6162 1 19 . 1 1 49 49 PHE CA C 47 60.530 60.530 58.458 2.072 17968
6163 1 19 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.331 -0.301 17968
6164 1 19 . 1 1 49 49 PHE H H 47 9.040 9.040 7.658 1.382 17968
6165 1 19 . 1 1 50 50 ARG N N 48 119.810 119.810 119.053 0.757 17968
6166 1 19 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.422 -0.372 17968
6167 1 19 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.866 2.264 17968
6168 1 19 . 1 1 50 50 ARG CB C 48 31.030 31.030 34.126 -3.096 17968
6169 1 19 . 1 1 50 50 ARG H H 48 8.100 8.100 7.364 0.736 17968
6170 1 19 . 1 1 51 51 ASP N N 49 120.910 120.910 122.790 -1.880 17968
6171 1 19 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.589 -0.139 17968
6172 1 19 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.332 0.198 17968
6173 1 19 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.735 0.195 17968
6174 1 19 . 1 1 51 51 ASP H H 49 8.010 8.010 8.575 -0.565 17968
6175 1 19 . 1 1 52 52 LEU N N 50 118.510 118.510 123.565 -5.055 17968
6176 1 19 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.622 -0.452 17968
6177 1 19 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.008 1.222 17968
6178 1 19 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.617 -3.387 17968
6179 1 19 . 1 1 52 52 LEU H H 50 6.720 6.720 7.831 -1.111 17968
6180 1 19 . 1 1 53 53 CYS N N 51 117.410 117.410 117.964 -0.554 17968
6181 1 19 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.203 -0.293 17968
6182 1 19 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.627 2.103 17968
6183 1 19 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.000 -2.270 17968
6184 1 19 . 1 1 53 53 CYS H H 51 8.030 8.030 8.432 -0.402 17968
6185 1 19 . 1 1 54 54 ILE N N 52 125.110 125.110 122.455 2.655 17968
6186 1 19 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.289 -0.299 17968
6187 1 19 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.517 -1.587 17968
6188 1 19 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.553 -0.823 17968
6189 1 19 . 1 1 54 54 ILE H H 52 8.450 8.450 8.471 -0.021 17968
6190 1 19 . 1 1 55 55 VAL N N 53 127.010 127.010 127.735 -0.725 17968
6191 1 19 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.206 0.144 17968
6192 1 19 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.550 -0.920 17968
6193 1 19 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.445 1.785 17968
6194 1 19 . 1 1 55 55 VAL H H 53 8.120 8.120 8.121 -0.001 17968
6195 1 19 . 1 1 56 56 TYR N N 54 125.010 125.010 128.118 -3.108 17968
6196 1 19 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.915 0.465 17968
6197 1 19 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.766 -0.336 17968
6198 1 19 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.964 2.066 17968
6199 1 19 . 1 1 56 56 TYR H H 54 8.710 8.710 8.762 -0.052 17968
6200 1 19 . 1 1 57 57 ARG N N 55 123.810 123.810 126.350 -2.540 17968
6201 1 19 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.124 0.506 17968
6202 1 19 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.005 -0.675 17968
6203 1 19 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.100 3.730 17968
6204 1 19 . 1 1 57 57 ARG H H 55 8.860 8.860 8.421 0.439 17968
6205 1 19 . 1 1 58 58 ASP N N 56 129.110 129.110 124.812 4.298 17968
6206 1 19 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.359 -0.059 17968
6207 1 19 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.590 -0.860 17968
6208 1 19 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.381 -0.251 17968
6209 1 19 . 1 1 58 58 ASP H H 56 9.630 9.630 8.787 0.843 17968
6210 1 19 . 1 1 59 59 GLY N N 57 104.510 104.510 108.370 -3.860 17968
6211 1 19 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.483 0.148 17968
6212 1 19 . 1 1 59 59 GLY H H 57 8.710 8.710 8.525 0.185 17968
6213 1 19 . 1 1 60 60 ASN N N 58 122.110 122.110 118.747 3.363 17968
6214 1 19 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.356 0.024 17968
6215 1 19 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.876 -0.546 17968
6216 1 19 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.806 -1.376 17968
6217 1 19 . 1 1 60 60 ASN H H 58 8.130 8.130 7.803 0.327 17968
6218 1 19 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.443 0.327 17968
6219 1 19 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.109 -1.079 17968
6220 1 19 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.357 2.073 17968
6221 1 19 . 1 1 62 62 TYR N N 60 119.910 119.910 123.334 -3.424 17968
6222 1 19 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.706 -0.356 17968
6223 1 19 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.930 1.200 17968
6224 1 19 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.993 0.437 17968
6225 1 19 . 1 1 62 62 TYR H H 60 8.580 8.580 7.349 1.231 17968
6226 1 19 . 1 1 63 63 ALA N N 61 123.710 123.710 121.689 2.021 17968
6227 1 19 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.557 -0.177 17968
6228 1 19 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.609 -0.279 17968
6229 1 19 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.391 -1.161 17968
6230 1 19 . 1 1 63 63 ALA H H 61 7.980 7.980 8.989 -1.009 17968
6231 1 19 . 1 1 64 64 VAL N N 62 120.610 120.610 117.749 2.861 17968
6232 1 19 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.397 1.083 17968
6233 1 19 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.974 0.356 17968
6234 1 19 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.148 3.083 17968
6235 1 19 . 1 1 64 64 VAL H H 62 6.330 6.330 8.152 -1.822 17968
6236 1 19 . 1 1 65 65 CYS N N 63 130.310 130.310 124.168 6.142 17968
6237 1 19 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.593 -0.033 17968
6238 1 19 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.385 1.045 17968
6239 1 19 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.927 1.103 17968
6240 1 19 . 1 1 65 65 CYS H H 63 9.420 9.420 8.552 0.868 17968
6241 1 19 . 1 1 66 66 ASP N N 64 121.110 121.110 121.658 -0.548 17968
6242 1 19 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.338 0.072 17968
6243 1 19 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.489 0.941 17968
6244 1 19 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.100 1.430 17968
6245 1 19 . 1 1 66 66 ASP H H 64 9.040 9.040 9.041 -0.001 17968
6246 1 19 . 1 1 67 67 LYS N N 65 121.910 121.910 119.556 2.354 17968
6247 1 19 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.373 -0.383 17968
6248 1 19 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.170 0.960 17968
6249 1 19 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.535 0.295 17968
6250 1 19 . 1 1 67 67 LYS H H 65 8.330 8.330 8.219 0.111 17968
6251 1 19 . 1 1 68 68 CYS N N 66 125.510 125.510 119.201 6.309 17968
6252 1 19 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.621 -0.511 17968
6253 1 19 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.719 2.011 17968
6254 1 19 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.137 4.493 17968
6255 1 19 . 1 1 68 68 CYS H H 66 8.690 8.690 7.765 0.925 17968
6256 1 19 . 1 1 69 69 LEU N N 67 125.110 125.110 122.033 3.077 17968
6257 1 19 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.107 -0.077 17968
6258 1 19 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.345 0.285 17968
6259 1 19 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.975 0.255 17968
6260 1 19 . 1 1 69 69 LEU H H 67 8.460 8.460 8.680 -0.220 17968
6261 1 19 . 1 1 70 70 LYS N N 68 119.210 119.210 118.332 0.878 17968
6262 1 19 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.091 -0.111 17968
6263 1 19 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.286 0.744 17968
6264 1 19 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.126 0.104 17968
6265 1 19 . 1 1 70 70 LYS H H 68 7.830 7.830 7.952 -0.122 17968
6266 1 19 . 1 1 71 71 PHE N N 69 121.710 121.710 118.374 3.336 17968
6267 1 19 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.172 0.098 17968
6268 1 19 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.207 -0.077 17968
6269 1 19 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.242 0.188 17968
6270 1 19 . 1 1 71 71 PHE H H 69 7.810 7.810 7.283 0.527 17968
6271 1 20 . 1 1 4 4 PHE N N 2 122.310 122.310 123.363 -1.053 17968
6272 1 20 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.860 -0.240 17968
6273 1 20 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.446 -0.116 17968
6274 1 20 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.103 -2.673 17968
6275 1 20 . 1 1 4 4 PHE H H 2 8.370 8.370 8.491 -0.121 17968
6276 1 20 . 1 1 5 5 GLN N N 3 123.510 123.510 123.142 0.368 17968
6277 1 20 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.448 -0.258 17968
6278 1 20 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.307 1.723 17968
6279 1 20 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.180 -0.249 17968
6280 1 20 . 1 1 5 5 GLN H H 3 8.250 8.250 8.069 0.181 17968
6281 1 20 . 1 1 6 6 ASP N N 4 125.010 125.010 119.999 5.011 17968
6282 1 20 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.383 0.457 17968
6283 1 20 . 1 1 6 6 ASP CA C 4 52.030 52.030 54.064 -2.034 17968
6284 1 20 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.503 0.227 17968
6285 1 20 . 1 1 6 6 ASP H H 4 8.410 8.410 8.448 -0.038 17968
6286 1 20 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.361 -0.241 17968
6287 1 20 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.260 0.870 17968
6288 1 20 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.253 0.077 17968
6289 1 20 . 1 1 8 8 GLN N N 6 119.710 119.710 118.459 1.251 17968
6290 1 20 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.073 0.077 17968
6291 1 20 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.205 0.425 17968
6292 1 20 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.816 1.514 17968
6293 1 20 . 1 1 8 8 GLN H H 6 8.430 8.430 7.464 0.966 17968
6294 1 20 . 1 1 9 9 GLU N N 7 122.110 122.110 122.631 -0.521 17968
6295 1 20 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.311 -0.131 17968
6296 1 20 . 1 1 9 9 GLU CA C 7 56.130 56.130 54.995 1.135 17968
6297 1 20 . 1 1 9 9 GLU CB C 7 30.530 30.530 31.080 -0.550 17968
6298 1 20 . 1 1 9 9 GLU H H 7 7.940 7.940 9.155 -1.215 17968
6299 1 20 . 1 1 10 10 ARG N N 8 123.410 123.410 117.535 5.875 17968
6300 1 20 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.259 0.151 17968
6301 1 20 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.786 -1.656 17968
6302 1 20 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.883 1.448 17968
6303 1 20 . 1 1 10 10 ARG H H 8 7.670 7.670 8.853 -1.183 17968
6304 1 20 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.553 -0.213 17968
6305 1 20 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.376 1.154 17968
6306 1 20 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.538 0.092 17968
6307 1 20 . 1 1 12 12 ARG N N 10 123.810 123.810 118.946 4.864 17968
6308 1 20 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.723 -0.063 17968
6309 1 20 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.655 1.175 17968
6310 1 20 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.729 1.801 17968
6311 1 20 . 1 1 12 12 ARG H H 10 8.700 8.700 8.787 -0.087 17968
6312 1 20 . 1 1 13 13 LYS N N 11 118.310 118.310 119.120 -0.810 17968
6313 1 20 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.752 0.298 17968
6314 1 20 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.949 -0.719 17968
6315 1 20 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.088 1.542 17968
6316 1 20 . 1 1 13 13 LYS H H 11 7.810 7.810 7.592 0.218 17968
6317 1 20 . 1 1 14 14 LEU N N 12 124.810 124.810 127.878 -3.068 17968
6318 1 20 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.249 -0.099 17968
6319 1 20 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.740 -0.110 17968
6320 1 20 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.870 0.660 17968
6321 1 20 . 1 1 14 14 LEU H H 12 10.210 10.210 9.320 0.890 17968
6322 1 20 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.072 0.098 17968
6323 1 20 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.854 1.476 17968
6324 1 20 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.987 -0.457 17968
6325 1 20 . 1 1 16 16 GLN N N 14 117.710 117.710 116.970 0.740 17968
6326 1 20 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.213 -0.053 17968
6327 1 20 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.001 1.129 17968
6328 1 20 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.947 -0.317 17968
6329 1 20 . 1 1 16 16 GLN H H 14 7.100 7.100 7.581 -0.481 17968
6330 1 20 . 1 1 17 17 LEU N N 15 124.610 124.610 122.598 2.012 17968
6331 1 20 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.164 -0.164 17968
6332 1 20 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.923 0.707 17968
6333 1 20 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.741 0.289 17968
6334 1 20 . 1 1 17 17 LEU H H 15 8.020 8.020 8.046 -0.026 17968
6335 1 20 . 1 1 18 18 CYS N N 16 117.210 117.210 116.272 0.938 17968
6336 1 20 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.052 -0.322 17968
6337 1 20 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.658 1.172 17968
6338 1 20 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.405 -0.175 17968
6339 1 20 . 1 1 18 18 CYS H H 16 8.410 8.410 8.260 0.150 17968
6340 1 20 . 1 1 19 19 THR N N 17 117.710 117.710 116.078 1.632 17968
6341 1 20 . 1 1 19 19 THR HA H 17 3.990 3.990 4.132 -0.142 17968
6342 1 20 . 1 1 19 19 THR CA C 17 66.830 66.830 66.267 0.563 17968
6343 1 20 . 1 1 19 19 THR CB C 17 68.830 68.830 68.407 0.423 17968
6344 1 20 . 1 1 19 19 THR H H 17 7.670 7.670 7.639 0.031 17968
6345 1 20 . 1 1 20 20 GLU N N 18 125.410 125.410 121.629 3.781 17968
6346 1 20 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.226 -0.166 17968
6347 1 20 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.122 0.708 17968
6348 1 20 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.557 0.073 17968
6349 1 20 . 1 1 20 20 GLU H H 18 7.980 7.980 7.724 0.256 17968
6350 1 20 . 1 1 21 21 LEU N N 19 118.810 118.810 117.863 0.947 17968
6351 1 20 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.474 -0.184 17968
6352 1 20 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.984 -0.054 17968
6353 1 20 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.280 -0.050 17968
6354 1 20 . 1 1 21 21 LEU H H 19 7.990 7.990 7.733 0.257 17968
6355 1 20 . 1 1 22 22 GLN N N 20 118.310 118.310 116.024 2.286 17968
6356 1 20 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.095 -0.155 17968
6357 1 20 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.163 -0.533 17968
6358 1 20 . 1 1 22 22 GLN CB C 20 26.130 26.130 25.860 0.270 17968
6359 1 20 . 1 1 22 22 GLN H H 20 7.850 7.850 7.715 0.135 17968
6360 1 20 . 1 1 23 23 THR N N 21 115.810 115.810 112.689 3.121 17968
6361 1 20 . 1 1 23 23 THR HA H 21 4.920 4.920 4.680 0.240 17968
6362 1 20 . 1 1 23 23 THR CA C 21 58.730 58.730 60.197 -1.467 17968
6363 1 20 . 1 1 23 23 THR CB C 21 70.330 70.330 70.778 -0.448 17968
6364 1 20 . 1 1 23 23 THR H H 21 8.210 8.210 8.355 -0.145 17968
6365 1 20 . 1 1 24 24 THR N N 22 112.810 112.810 113.057 -0.247 17968
6366 1 20 . 1 1 24 24 THR HA H 22 4.860 4.860 4.756 0.104 17968
6367 1 20 . 1 1 24 24 THR CA C 22 59.830 59.830 59.752 0.078 17968
6368 1 20 . 1 1 24 24 THR CB C 22 74.030 74.030 71.144 2.885 17968
6369 1 20 . 1 1 24 24 THR H H 22 8.620 8.620 7.988 0.632 17968
6370 1 20 . 1 1 25 25 ILE N N 23 124.310 124.310 117.142 7.168 17968
6371 1 20 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.803 -0.143 17968
6372 1 20 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.023 -0.292 17968
6373 1 20 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.441 0.790 17968
6374 1 20 . 1 1 25 25 ILE H H 23 9.020 9.020 8.279 0.741 17968
6375 1 20 . 1 1 26 26 HIS N N 24 119.210 119.210 117.518 1.692 17968
6376 1 20 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.792 -0.412 17968
6377 1 20 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.242 0.188 17968
6378 1 20 . 1 1 26 26 HIS CB C 24 30.730 30.730 27.569 3.161 17968
6379 1 20 . 1 1 26 26 HIS H H 24 6.870 6.870 7.848 -0.978 17968
6380 1 20 . 1 1 27 27 ASP N N 25 116.510 116.510 119.489 -2.979 17968
6381 1 20 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.589 0.161 17968
6382 1 20 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.706 -0.276 17968
6383 1 20 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.704 1.626 17968
6384 1 20 . 1 1 27 27 ASP H H 25 7.220 7.220 7.998 -0.778 17968
6385 1 20 . 1 1 28 28 ILE N N 26 123.310 123.310 123.111 0.199 17968
6386 1 20 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.966 -0.066 17968
6387 1 20 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.396 0.734 17968
6388 1 20 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.496 -0.566 17968
6389 1 20 . 1 1 28 28 ILE H H 26 7.690 7.690 7.517 0.173 17968
6390 1 20 . 1 1 29 29 ILE N N 27 130.910 130.910 129.711 1.199 17968
6391 1 20 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.237 0.123 17968
6392 1 20 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.505 -0.675 17968
6393 1 20 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.665 0.065 17968
6394 1 20 . 1 1 29 29 ILE H H 27 8.230 8.230 8.193 0.037 17968
6395 1 20 . 1 1 30 30 LEU N N 28 129.310 129.310 129.203 0.107 17968
6396 1 20 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.556 0.094 17968
6397 1 20 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.258 -0.728 17968
6398 1 20 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.007 2.323 17968
6399 1 20 . 1 1 30 30 LEU H H 28 8.450 8.450 8.550 -0.100 17968
6400 1 20 . 1 1 31 31 GLU N N 29 121.810 121.810 119.079 2.731 17968
6401 1 20 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.946 -0.286 17968
6402 1 20 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.401 0.329 17968
6403 1 20 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.790 1.140 17968
6404 1 20 . 1 1 31 31 GLU H H 29 8.820 8.820 8.514 0.306 17968
6405 1 20 . 1 1 32 32 CYS N N 30 125.510 125.510 120.512 4.998 17968
6406 1 20 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.119 -1.089 17968
6407 1 20 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.421 -1.191 17968
6408 1 20 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.169 3.661 17968
6409 1 20 . 1 1 32 32 CYS H H 30 8.240 8.240 8.830 -0.590 17968
6410 1 20 . 1 1 33 33 VAL N N 31 132.310 132.310 126.604 5.706 17968
6411 1 20 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.156 -0.076 17968
6412 1 20 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.277 0.053 17968
6413 1 20 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.076 -0.446 17968
6414 1 20 . 1 1 33 33 VAL H H 31 8.880 8.880 8.143 0.737 17968
6415 1 20 . 1 1 34 34 TYR N N 32 124.210 124.210 115.339 8.871 17968
6416 1 20 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.476 -0.026 17968
6417 1 20 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.667 0.363 17968
6418 1 20 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.602 0.428 17968
6419 1 20 . 1 1 34 34 TYR H H 32 8.620 8.620 7.396 1.224 17968
6420 1 20 . 1 1 35 35 CYS N N 33 119.810 119.810 116.120 3.690 17968
6421 1 20 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.395 0.405 17968
6422 1 20 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.077 0.253 17968
6423 1 20 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.228 5.002 17968
6424 1 20 . 1 1 35 35 CYS H H 33 8.090 8.090 7.666 0.424 17968
6425 1 20 . 1 1 36 36 LYS N N 34 119.810 119.810 116.397 3.413 17968
6426 1 20 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.176 -0.016 17968
6427 1 20 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.197 0.633 17968
6428 1 20 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.831 -1.601 17968
6429 1 20 . 1 1 36 36 LYS H H 34 7.870 7.870 7.563 0.307 17968
6430 1 20 . 1 1 37 37 GLN N N 35 120.610 120.610 116.789 3.821 17968
6431 1 20 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.586 -0.216 17968
6432 1 20 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.533 0.897 17968
6433 1 20 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.126 -0.396 17968
6434 1 20 . 1 1 37 37 GLN H H 35 8.250 8.250 8.044 0.206 17968
6435 1 20 . 1 1 38 38 GLN N N 36 123.610 123.610 122.204 1.406 17968
6436 1 20 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.261 0.099 17968
6437 1 20 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.406 0.424 17968
6438 1 20 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.991 0.439 17968
6439 1 20 . 1 1 38 38 GLN H H 36 8.630 8.630 8.549 0.081 17968
6440 1 20 . 1 1 39 39 LEU N N 37 131.410 131.410 127.054 4.356 17968
6441 1 20 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.254 -0.154 17968
6442 1 20 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.252 1.978 17968
6443 1 20 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.749 -0.619 17968
6444 1 20 . 1 1 39 39 LEU H H 37 8.830 8.830 8.573 0.257 17968
6445 1 20 . 1 1 40 40 LEU N N 38 126.410 126.410 122.741 3.669 17968
6446 1 20 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.641 -0.351 17968
6447 1 20 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.603 0.727 17968
6448 1 20 . 1 1 40 40 LEU CB C 38 42.930 42.930 44.495 -1.565 17968
6449 1 20 . 1 1 40 40 LEU H H 38 9.780 9.780 8.271 1.509 17968
6450 1 20 . 1 1 41 41 ARG N N 39 126.610 126.610 121.576 5.034 17968
6451 1 20 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.823 -0.373 17968
6452 1 20 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.824 -1.894 17968
6453 1 20 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.826 -2.796 17968
6454 1 20 . 1 1 41 41 ARG H H 39 8.880 8.880 8.704 0.176 17968
6455 1 20 . 1 1 42 42 ARG N N 40 116.410 116.410 118.886 -2.476 17968
6456 1 20 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.951 0.049 17968
6457 1 20 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.521 -0.991 17968
6458 1 20 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.617 3.213 17968
6459 1 20 . 1 1 42 42 ARG H H 40 8.590 8.590 8.512 0.078 17968
6460 1 20 . 1 1 43 43 GLU N N 41 117.710 117.710 118.544 -0.834 17968
6461 1 20 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.223 0.037 17968
6462 1 20 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.865 0.065 17968
6463 1 20 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.586 1.944 17968
6464 1 20 . 1 1 43 43 GLU H H 41 6.800 6.800 7.843 -1.043 17968
6465 1 20 . 1 1 44 44 VAL N N 42 124.710 124.710 121.299 3.411 17968
6466 1 20 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.671 -0.491 17968
6467 1 20 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.533 0.997 17968
6468 1 20 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.873 -0.543 17968
6469 1 20 . 1 1 44 44 VAL H H 42 7.760 7.760 8.167 -0.407 17968
6470 1 20 . 1 1 45 45 TYR N N 43 118.310 118.310 118.745 -0.435 17968
6471 1 20 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.304 -0.114 17968
6472 1 20 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.596 0.534 17968
6473 1 20 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.426 1.304 17968
6474 1 20 . 1 1 45 45 TYR H H 43 7.600 7.600 8.033 -0.433 17968
6475 1 20 . 1 1 46 46 ASP N N 44 120.910 120.910 120.618 0.292 17968
6476 1 20 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.414 0.296 17968
6477 1 20 . 1 1 46 46 ASP CA C 44 58.030 58.030 58.258 -0.228 17968
6478 1 20 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.883 -0.053 17968
6479 1 20 . 1 1 46 46 ASP H H 44 8.660 8.660 7.878 0.782 17968
6480 1 20 . 1 1 47 47 PHE N N 45 125.310 125.310 120.384 4.926 17968
6481 1 20 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.219 -0.289 17968
6482 1 20 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.273 1.357 17968
6483 1 20 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.358 -0.327 17968
6484 1 20 . 1 1 47 47 PHE H H 45 8.250 8.250 8.167 0.083 17968
6485 1 20 . 1 1 48 48 ALA N N 46 119.710 119.710 120.616 -0.906 17968
6486 1 20 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.296 0.204 17968
6487 1 20 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.433 0.697 17968
6488 1 20 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.694 0.036 17968
6489 1 20 . 1 1 48 48 ALA H H 46 7.790 7.790 7.526 0.264 17968
6490 1 20 . 1 1 49 49 PHE N N 47 123.210 123.210 118.313 4.897 17968
6491 1 20 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.334 0.216 17968
6492 1 20 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.443 0.087 17968
6493 1 20 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.827 -0.797 17968
6494 1 20 . 1 1 49 49 PHE H H 47 9.040 9.040 8.086 0.954 17968
6495 1 20 . 1 1 50 50 ARG N N 48 119.810 119.810 117.881 1.929 17968
6496 1 20 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.482 -0.432 17968
6497 1 20 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.056 3.074 17968
6498 1 20 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.262 -1.232 17968
6499 1 20 . 1 1 50 50 ARG H H 48 8.100 8.100 7.453 0.647 17968
6500 1 20 . 1 1 51 51 ASP N N 49 120.910 120.910 120.938 -0.028 17968
6501 1 20 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.627 -0.177 17968
6502 1 20 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.059 0.471 17968
6503 1 20 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.234 -0.304 17968
6504 1 20 . 1 1 51 51 ASP H H 49 8.010 8.010 8.566 -0.556 17968
6505 1 20 . 1 1 52 52 LEU N N 50 118.510 118.510 123.441 -4.931 17968
6506 1 20 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.489 -0.319 17968
6507 1 20 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.566 0.663 17968
6508 1 20 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.412 -4.182 17968
6509 1 20 . 1 1 52 52 LEU H H 50 6.720 6.720 7.730 -1.010 17968
6510 1 20 . 1 1 53 53 CYS N N 51 117.410 117.410 118.585 -1.175 17968
6511 1 20 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.345 -0.434 17968
6512 1 20 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.344 1.386 17968
6513 1 20 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.841 -3.111 17968
6514 1 20 . 1 1 53 53 CYS H H 51 8.030 8.030 8.458 -0.428 17968
6515 1 20 . 1 1 54 54 ILE N N 52 125.110 125.110 123.690 1.420 17968
6516 1 20 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.266 -0.276 17968
6517 1 20 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.967 -2.037 17968
6518 1 20 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.583 -0.853 17968
6519 1 20 . 1 1 54 54 ILE H H 52 8.450 8.450 8.579 -0.129 17968
6520 1 20 . 1 1 55 55 VAL N N 53 127.010 127.010 123.712 3.298 17968
6521 1 20 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.449 -0.099 17968
6522 1 20 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.094 -0.464 17968
6523 1 20 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.263 1.967 17968
6524 1 20 . 1 1 55 55 VAL H H 53 8.120 8.120 8.221 -0.101 17968
6525 1 20 . 1 1 56 56 TYR N N 54 125.010 125.010 128.076 -3.066 17968
6526 1 20 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.098 0.282 17968
6527 1 20 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.641 -0.210 17968
6528 1 20 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.115 1.915 17968
6529 1 20 . 1 1 56 56 TYR H H 54 8.710 8.710 8.836 -0.126 17968
6530 1 20 . 1 1 57 57 ARG N N 55 123.810 123.810 126.330 -2.520 17968
6531 1 20 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.364 0.266 17968
6532 1 20 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.616 -0.286 17968
6533 1 20 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.063 2.767 17968
6534 1 20 . 1 1 57 57 ARG H H 55 8.860 8.860 8.494 0.366 17968
6535 1 20 . 1 1 58 58 ASP N N 56 129.110 129.110 126.423 2.687 17968
6536 1 20 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.291 0.009 17968
6537 1 20 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.467 -0.737 17968
6538 1 20 . 1 1 58 58 ASP CB C 56 40.130 40.130 39.902 0.228 17968
6539 1 20 . 1 1 58 58 ASP H H 56 9.630 9.630 8.971 0.659 17968
6540 1 20 . 1 1 59 59 GLY N N 57 104.510 104.510 108.078 -3.568 17968
6541 1 20 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.954 0.676 17968
6542 1 20 . 1 1 59 59 GLY H H 57 8.710 8.710 8.397 0.313 17968
6543 1 20 . 1 1 60 60 ASN N N 58 122.110 122.110 119.192 2.918 17968
6544 1 20 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.165 0.215 17968
6545 1 20 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.113 0.217 17968
6546 1 20 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.502 -1.073 17968
6547 1 20 . 1 1 60 60 ASN H H 58 8.130 8.130 7.926 0.204 17968
6548 1 20 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.392 0.378 17968
6549 1 20 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.524 -0.494 17968
6550 1 20 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.046 2.384 17968
6551 1 20 . 1 1 62 62 TYR N N 60 119.910 119.910 123.535 -3.625 17968
6552 1 20 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.719 -0.369 17968
6553 1 20 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.781 1.349 17968
6554 1 20 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.578 0.852 17968
6555 1 20 . 1 1 62 62 TYR H H 60 8.580 8.580 8.200 0.380 17968
6556 1 20 . 1 1 63 63 ALA N N 61 123.710 123.710 121.132 2.578 17968
6557 1 20 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.689 -0.309 17968
6558 1 20 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.165 0.165 17968
6559 1 20 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.727 -1.497 17968
6560 1 20 . 1 1 63 63 ALA H H 61 7.980 7.980 8.840 -0.860 17968
6561 1 20 . 1 1 64 64 VAL N N 62 120.610 120.610 119.328 1.282 17968
6562 1 20 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.266 1.214 17968
6563 1 20 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.791 -0.461 17968
6564 1 20 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.567 3.663 17968
6565 1 20 . 1 1 64 64 VAL H H 62 6.330 6.330 8.442 -2.112 17968
6566 1 20 . 1 1 65 65 CYS N N 63 130.310 130.310 124.537 5.773 17968
6567 1 20 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.686 -0.126 17968
6568 1 20 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.164 1.266 17968
6569 1 20 . 1 1 65 65 CYS CB C 63 31.030 31.030 30.116 0.914 17968
6570 1 20 . 1 1 65 65 CYS H H 63 9.420 9.420 8.681 0.739 17968
6571 1 20 . 1 1 66 66 ASP N N 64 121.110 121.110 119.946 1.164 17968
6572 1 20 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.447 -0.037 17968
6573 1 20 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.608 0.822 17968
6574 1 20 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.966 1.564 17968
6575 1 20 . 1 1 66 66 ASP H H 64 9.040 9.040 8.996 0.044 17968
6576 1 20 . 1 1 67 67 LYS N N 65 121.910 121.910 119.670 2.240 17968
6577 1 20 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.381 -0.391 17968
6578 1 20 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.904 1.226 17968
6579 1 20 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.850 -0.020 17968
6580 1 20 . 1 1 67 67 LYS H H 65 8.330 8.330 7.575 0.755 17968
6581 1 20 . 1 1 68 68 CYS N N 66 125.510 125.510 119.700 5.810 17968
6582 1 20 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.508 -0.398 17968
6583 1 20 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.859 1.871 17968
6584 1 20 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.812 4.818 17968
6585 1 20 . 1 1 68 68 CYS H H 66 8.690 8.690 7.892 0.798 17968
6586 1 20 . 1 1 69 69 LEU N N 67 125.110 125.110 121.499 3.611 17968
6587 1 20 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.148 -0.118 17968
6588 1 20 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.974 0.656 17968
6589 1 20 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.143 0.087 17968
6590 1 20 . 1 1 69 69 LEU H H 67 8.460 8.460 8.261 0.199 17968
6591 1 20 . 1 1 70 70 LYS N N 68 119.210 119.210 118.048 1.162 17968
6592 1 20 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.144 -0.164 17968
6593 1 20 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.337 0.693 17968
6594 1 20 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.339 -0.109 17968
6595 1 20 . 1 1 70 70 LYS H H 68 7.830 7.830 7.839 -0.009 17968
6596 1 20 . 1 1 71 71 PHE N N 69 121.710 121.710 118.764 2.946 17968
6597 1 20 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.201 0.069 17968
6598 1 20 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.399 -0.269 17968
6599 1 20 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.506 -0.076 17968
6600 1 20 . 1 1 71 71 PHE H H 69 7.810 7.810 7.409 0.401 17968
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 64 3.379 -1.806 2.879 17968
2 1 1 "Average Difference" HA 69 0.320 0.070 0.314 17968
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17968
4 1 1 "Average Difference" CA 68 1.125 -0.268 1.101 17968
5 1 1 "Average Difference" CB 67 1.657 -0.574 1.566 17968
6 1 1 "Average Difference" HN 64 0.636 -0.051 0.639 17968
7 1 2 "Average Difference" N 64 3.600 -1.896 3.084 17968
8 1 2 "Average Difference" HA 69 0.319 0.048 0.318 17968
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17968
10 1 2 "Average Difference" CA 68 1.033 -0.226 1.016 17968
11 1 2 "Average Difference" CB 67 1.745 -0.705 1.608 17968
12 1 2 "Average Difference" HN 64 0.575 -0.096 0.572 17968
13 1 3 "Average Difference" N 64 3.649 -2.067 3.031 17968
14 1 3 "Average Difference" HA 69 0.346 0.054 0.344 17968
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17968
16 1 3 "Average Difference" CA 68 0.993 -0.275 0.961 17968
17 1 3 "Average Difference" CB 67 1.594 -0.583 1.495 17968
18 1 3 "Average Difference" HN 64 0.611 -0.118 0.604 17968
19 1 4 "Average Difference" N 64 3.394 -1.912 2.827 17968
20 1 4 "Average Difference" HA 69 0.289 0.054 0.286 17968
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17968
22 1 4 "Average Difference" CA 68 1.010 -0.288 0.975 17968
23 1 4 "Average Difference" CB 67 1.627 -0.524 1.551 17968
24 1 4 "Average Difference" HN 64 0.644 -0.104 0.640 17968
25 1 5 "Average Difference" N 64 3.581 -2.003 2.992 17968
26 1 5 "Average Difference" HA 69 0.286 0.048 0.283 17968
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17968
28 1 5 "Average Difference" CA 68 1.062 -0.168 1.056 17968
29 1 5 "Average Difference" CB 67 1.622 -0.643 1.500 17968
30 1 5 "Average Difference" HN 64 0.595 -0.114 0.589 17968
31 1 6 "Average Difference" N 64 3.397 -1.764 2.926 17968
32 1 6 "Average Difference" HA 69 0.290 0.069 0.284 17968
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17968
34 1 6 "Average Difference" CA 68 1.080 -0.302 1.045 17968
35 1 6 "Average Difference" CB 67 1.707 -0.486 1.649 17968
36 1 6 "Average Difference" HN 64 0.603 -0.065 0.604 17968
37 1 7 "Average Difference" N 64 3.516 -1.992 2.920 17968
38 1 7 "Average Difference" HA 69 0.318 0.069 0.313 17968
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17968
40 1 7 "Average Difference" CA 68 1.075 -0.227 1.059 17968
41 1 7 "Average Difference" CB 67 1.633 -0.559 1.546 17968
42 1 7 "Average Difference" HN 64 0.649 -0.060 0.651 17968
43 1 8 "Average Difference" N 64 3.659 -2.027 3.071 17968
44 1 8 "Average Difference" HA 69 0.315 0.078 0.307 17968
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17968
46 1 8 "Average Difference" CA 68 0.969 -0.207 0.953 17968
47 1 8 "Average Difference" CB 67 1.676 -0.532 1.601 17968
48 1 8 "Average Difference" HN 64 0.628 -0.127 0.620 17968
49 1 9 "Average Difference" N 64 3.422 -1.858 2.897 17968
50 1 9 "Average Difference" HA 69 0.281 0.082 0.271 17968
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17968
52 1 9 "Average Difference" CA 68 1.031 -0.182 1.023 17968
53 1 9 "Average Difference" CB 67 1.617 -0.454 1.563 17968
54 1 9 "Average Difference" HN 64 0.657 -0.078 0.658 17968
55 1 10 "Average Difference" N 64 3.336 -1.856 2.795 17968
56 1 10 "Average Difference" HA 69 0.301 0.053 0.298 17968
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17968
58 1 10 "Average Difference" CA 68 0.993 -0.232 0.972 17968
59 1 10 "Average Difference" CB 67 1.687 -0.529 1.614 17968
60 1 10 "Average Difference" HN 64 0.624 -0.100 0.621 17968
61 1 11 "Average Difference" N 64 3.614 -2.003 3.033 17968
62 1 11 "Average Difference" HA 69 0.291 0.057 0.288 17968
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17968
64 1 11 "Average Difference" CA 68 1.062 -0.352 1.010 17968
65 1 11 "Average Difference" CB 67 1.557 -0.450 1.502 17968
66 1 11 "Average Difference" HN 64 0.585 -0.084 0.583 17968
67 1 12 "Average Difference" N 64 3.652 -1.887 3.151 17968
68 1 12 "Average Difference" HA 69 0.302 0.044 0.301 17968
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17968
70 1 12 "Average Difference" CA 68 1.053 -0.187 1.044 17968
71 1 12 "Average Difference" CB 67 1.713 -0.645 1.599 17968
72 1 12 "Average Difference" HN 64 0.608 -0.114 0.602 17968
73 1 13 "Average Difference" N 64 3.483 -1.894 2.946 17968
74 1 13 "Average Difference" HA 69 0.313 0.087 0.303 17968
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17968
76 1 13 "Average Difference" CA 68 1.044 -0.195 1.033 17968
77 1 13 "Average Difference" CB 67 1.726 -0.502 1.664 17968
78 1 13 "Average Difference" HN 64 0.605 -0.103 0.601 17968
79 1 14 "Average Difference" N 64 3.475 -1.768 3.015 17968
80 1 14 "Average Difference" HA 69 0.299 0.053 0.297 17968
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17968
82 1 14 "Average Difference" CA 68 1.073 -0.285 1.043 17968
83 1 14 "Average Difference" CB 67 1.644 -0.556 1.558 17968
84 1 14 "Average Difference" HN 64 0.629 -0.061 0.631 17968
85 1 15 "Average Difference" N 64 3.721 -1.990 3.169 17968
86 1 15 "Average Difference" HA 69 0.322 0.060 0.318 17968
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17968
88 1 15 "Average Difference" CA 68 1.064 -0.323 1.021 17968
89 1 15 "Average Difference" CB 67 1.595 -0.516 1.521 17968
90 1 15 "Average Difference" HN 64 0.610 -0.109 0.605 17968
91 1 16 "Average Difference" N 64 3.416 -1.943 2.832 17968
92 1 16 "Average Difference" HA 69 0.309 0.043 0.309 17968
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17968
94 1 16 "Average Difference" CA 68 1.124 -0.237 1.107 17968
95 1 16 "Average Difference" CB 67 1.653 -0.611 1.547 17968
96 1 16 "Average Difference" HN 64 0.583 -0.082 0.581 17968
97 1 17 "Average Difference" N 64 3.423 -1.975 2.819 17968
98 1 17 "Average Difference" HA 69 0.320 0.096 0.307 17968
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17968
100 1 17 "Average Difference" CA 68 1.104 -0.272 1.078 17968
101 1 17 "Average Difference" CB 67 1.640 -0.441 1.592 17968
102 1 17 "Average Difference" HN 64 0.623 -0.058 0.626 17968
103 1 18 "Average Difference" N 64 3.272 -1.892 2.691 17968
104 1 18 "Average Difference" HA 69 0.297 0.047 0.295 17968
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17968
106 1 18 "Average Difference" CA 68 1.000 -0.237 0.978 17968
107 1 18 "Average Difference" CB 67 1.606 -0.461 1.550 17968
108 1 18 "Average Difference" HN 64 0.607 -0.091 0.604 17968
109 1 19 "Average Difference" N 64 3.501 -1.809 3.021 17968
110 1 19 "Average Difference" HA 69 0.300 0.068 0.294 17968
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17968
112 1 19 "Average Difference" CA 68 1.061 -0.286 1.029 17968
113 1 19 "Average Difference" CB 67 1.732 -0.514 1.667 17968
114 1 19 "Average Difference" HN 64 0.625 -0.126 0.617 17968
115 1 20 "Average Difference" N 64 3.342 -1.734 2.880 17968
116 1 20 "Average Difference" HA 69 0.313 0.075 0.307 17968
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17968
118 1 20 "Average Difference" CA 68 1.012 -0.283 0.978 17968
119 1 20 "Average Difference" CB 67 1.776 -0.455 1.729 17968
120 1 20 "Average Difference" HN 64 0.636 -0.072 0.637 17968
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 17968
_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 PHE N N 2 122.310 122.310 123.119 -0.809 17968
2 1 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.869 -0.249 17968
3 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.949 -0.619 17968
4 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.119 -1.689 17968
5 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.667 -0.297 17968
6 1 . 1 1 5 5 GLN N N 3 123.510 123.510 122.542 0.968 17968
7 1 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.522 -0.332 17968
8 1 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.274 1.756 17968
9 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.639 -0.709 17968
10 1 . 1 1 5 5 GLN H H 3 8.250 8.250 8.200 0.050 17968
11 1 . 1 1 6 6 ASP N N 4 125.010 125.010 119.654 5.356 17968
12 1 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.595 0.245 17968
13 1 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.132 -1.102 17968
14 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.383 0.347 17968
15 1 . 1 1 6 6 ASP H H 4 8.410 8.410 8.404 0.006 17968
16 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.456 -0.336 17968
17 1 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.258 0.872 17968
18 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.192 0.138 17968
19 1 . 1 1 8 8 GLN N N 6 119.710 119.710 118.890 0.820 17968
20 1 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.223 -0.073 17968
21 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.938 0.692 17968
22 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.973 1.357 17968
23 1 . 1 1 8 8 GLN H H 6 8.430 8.430 7.661 0.769 17968
24 1 . 1 1 9 9 GLU N N 7 122.110 122.110 123.086 -0.976 17968
25 1 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.167 0.013 17968
26 1 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.223 -0.093 17968
27 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.299 0.231 17968
28 1 . 1 1 9 9 GLU H H 7 7.940 7.940 8.756 -0.816 17968
29 1 . 1 1 10 10 ARG N N 8 123.410 123.410 116.701 6.709 17968
30 1 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.177 0.233 17968
31 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.417 -1.287 17968
32 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.986 1.344 17968
33 1 . 1 1 10 10 ARG H H 8 7.670 7.670 8.286 -0.616 17968
34 1 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.574 -0.234 17968
35 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.477 1.053 17968
36 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.790 -0.160 17968
37 1 . 1 1 12 12 ARG N N 10 123.810 123.810 119.171 4.639 17968
38 1 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.642 0.018 17968
39 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.038 0.792 17968
40 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.854 1.676 17968
41 1 . 1 1 12 12 ARG H H 10 8.700 8.700 8.711 -0.011 17968
42 1 . 1 1 13 13 LYS N N 11 118.310 118.310 118.982 -0.672 17968
43 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.713 0.337 17968
44 1 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.148 -0.918 17968
45 1 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.201 1.429 17968
46 1 . 1 1 13 13 LYS H H 11 7.810 7.810 7.641 0.169 17968
47 1 . 1 1 14 14 LEU N N 12 124.810 124.810 127.606 -2.796 17968
48 1 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.244 -0.095 17968
49 1 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.745 -0.115 17968
50 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.895 0.635 17968
51 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.229 0.981 17968
52 1 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.153 0.017 17968
53 1 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.826 1.504 17968
54 1 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.975 -0.445 17968
55 1 . 1 1 16 16 GLN N N 14 117.710 117.710 116.882 0.828 17968
56 1 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.196 -0.036 17968
57 1 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.287 0.843 17968
58 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.629 0.001 17968
59 1 . 1 1 16 16 GLN H H 14 7.100 7.100 7.819 -0.719 17968
60 1 . 1 1 17 17 LEU N N 15 124.610 124.610 122.324 2.286 17968
61 1 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.139 -0.139 17968
62 1 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.895 0.735 17968
63 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.741 0.289 17968
64 1 . 1 1 17 17 LEU H H 15 8.020 8.020 8.022 -0.002 17968
65 1 . 1 1 18 18 CYS N N 16 117.210 117.210 116.596 0.614 17968
66 1 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.086 -0.356 17968
67 1 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.517 1.313 17968
68 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.186 0.044 17968
69 1 . 1 1 18 18 CYS H H 16 8.410 8.410 8.241 0.169 17968
70 1 . 1 1 19 19 THR N N 17 117.710 117.710 115.754 1.956 17968
71 1 . 1 1 19 19 THR HA H 17 3.990 3.990 4.107 -0.117 17968
72 1 . 1 1 19 19 THR CA C 17 66.830 66.830 66.492 0.338 17968
73 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.483 0.346 17968
74 1 . 1 1 19 19 THR H H 17 7.670 7.670 7.664 0.006 17968
75 1 . 1 1 20 20 GLU N N 18 125.410 125.410 121.103 4.307 17968
76 1 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.215 -0.155 17968
77 1 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.937 0.894 17968
78 1 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.502 0.128 17968
79 1 . 1 1 20 20 GLU H H 18 7.980 7.980 7.793 0.187 17968
80 1 . 1 1 21 21 LEU N N 19 118.810 118.810 118.003 0.807 17968
81 1 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.408 -0.118 17968
82 1 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.140 -0.210 17968
83 1 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.504 -0.274 17968
84 1 . 1 1 21 21 LEU H H 19 7.990 7.990 7.802 0.188 17968
85 1 . 1 1 22 22 GLN N N 20 118.310 118.310 116.304 2.006 17968
86 1 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.043 -0.103 17968
87 1 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.132 -0.502 17968
88 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.251 -0.121 17968
89 1 . 1 1 22 22 GLN H H 20 7.850 7.850 7.692 0.159 17968
90 1 . 1 1 23 23 THR N N 21 115.810 115.810 112.920 2.890 17968
91 1 . 1 1 23 23 THR HA H 21 4.920 4.920 4.742 0.178 17968
92 1 . 1 1 23 23 THR CA C 21 58.730 58.730 60.540 -1.810 17968
93 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.548 -0.218 17968
94 1 . 1 1 23 23 THR H H 21 8.210 8.210 8.436 -0.226 17968
95 1 . 1 1 24 24 THR N N 22 112.810 112.810 112.737 0.073 17968
96 1 . 1 1 24 24 THR HA H 22 4.860 4.860 4.812 0.048 17968
97 1 . 1 1 24 24 THR CA C 22 59.830 59.830 59.990 -0.161 17968
98 1 . 1 1 24 24 THR CB C 22 74.030 74.030 70.981 3.049 17968
99 1 . 1 1 24 24 THR H H 22 8.620 8.620 8.050 0.570 17968
100 1 . 1 1 25 25 ILE N N 23 124.310 124.310 117.989 6.321 17968
101 1 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.874 -0.214 17968
102 1 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.967 -0.237 17968
103 1 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.656 0.574 17968
104 1 . 1 1 25 25 ILE H H 23 9.020 9.020 8.465 0.555 17968
105 1 . 1 1 26 26 HIS N N 24 119.210 119.210 114.189 5.021 17968
106 1 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.802 -0.422 17968
107 1 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.820 -0.390 17968
108 1 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.038 0.692 17968
109 1 . 1 1 26 26 HIS H H 24 6.870 6.870 7.726 -0.856 17968
110 1 . 1 1 27 27 ASP N N 25 116.510 116.510 118.750 -2.240 17968
111 1 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.703 0.047 17968
112 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.204 0.226 17968
113 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.881 1.449 17968
114 1 . 1 1 27 27 ASP H H 25 7.220 7.220 7.678 -0.458 17968
115 1 . 1 1 28 28 ILE N N 26 123.310 123.310 122.117 1.193 17968
116 1 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.002 -0.102 17968
117 1 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.275 0.855 17968
118 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.610 -0.680 17968
119 1 . 1 1 28 28 ILE H H 26 7.690 7.690 7.712 -0.022 17968
120 1 . 1 1 29 29 ILE N N 27 130.910 130.910 129.302 1.608 17968
121 1 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.193 0.167 17968
122 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.404 -0.574 17968
123 1 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.177 0.553 17968
124 1 . 1 1 29 29 ILE H H 27 8.230 8.230 8.234 -0.004 17968
125 1 . 1 1 30 30 LEU N N 28 129.310 129.310 128.573 0.737 17968
126 1 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.546 0.104 17968
127 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.517 -0.987 17968
128 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.609 2.721 17968
129 1 . 1 1 30 30 LEU H H 28 8.450 8.450 8.442 0.008 17968
130 1 . 1 1 31 31 GLU N N 29 121.810 121.810 119.363 2.447 17968
131 1 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.985 -0.325 17968
132 1 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.733 -0.003 17968
133 1 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.344 0.586 17968
134 1 . 1 1 31 31 GLU H H 29 8.820 8.820 8.442 0.378 17968
135 1 . 1 1 32 32 CYS N N 30 125.510 125.510 121.593 3.917 17968
136 1 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.985 -0.955 17968
137 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.473 -1.243 17968
138 1 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.023 3.807 17968
139 1 . 1 1 32 32 CYS H H 30 8.240 8.240 8.782 -0.542 17968
140 1 . 1 1 33 33 VAL N N 31 132.310 132.310 127.118 5.192 17968
141 1 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.296 -0.216 17968
142 1 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.664 -0.334 17968
143 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.925 -0.295 17968
144 1 . 1 1 33 33 VAL H H 31 8.880 8.880 8.395 0.485 17968
145 1 . 1 1 34 34 TYR N N 32 124.210 124.210 116.403 7.807 17968
146 1 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.517 -0.067 17968
147 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.425 0.605 17968
148 1 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.055 0.975 17968
149 1 . 1 1 34 34 TYR H H 32 8.620 8.620 7.443 1.177 17968
150 1 . 1 1 35 35 CYS N N 33 119.810 119.810 115.467 4.343 17968
151 1 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.459 0.341 17968
152 1 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.093 0.237 17968
153 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.411 4.819 17968
154 1 . 1 1 35 35 CYS H H 33 8.090 8.090 7.803 0.287 17968
155 1 . 1 1 36 36 LYS N N 34 119.810 119.810 116.465 3.345 17968
156 1 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.147 0.013 17968
157 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.106 0.724 17968
158 1 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.535 -1.305 17968
159 1 . 1 1 36 36 LYS H H 34 7.870 7.870 7.898 -0.028 17968
160 1 . 1 1 37 37 GLN N N 35 120.610 120.610 116.958 3.652 17968
161 1 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.452 -0.082 17968
162 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.953 0.477 17968
163 1 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.002 -0.272 17968
164 1 . 1 1 37 37 GLN H H 35 8.250 8.250 7.952 0.298 17968
165 1 . 1 1 38 38 GLN N N 36 123.610 123.610 122.586 1.023 17968
166 1 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.260 0.100 17968
167 1 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.355 0.475 17968
168 1 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.957 0.473 17968
169 1 . 1 1 38 38 GLN H H 36 8.630 8.630 8.558 0.072 17968
170 1 . 1 1 39 39 LEU N N 37 131.410 131.410 127.101 4.309 17968
171 1 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.300 -0.200 17968
172 1 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.868 2.362 17968
173 1 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.598 -0.468 17968
174 1 . 1 1 39 39 LEU H H 37 8.830 8.830 8.518 0.312 17968
175 1 . 1 1 40 40 LEU N N 38 126.410 126.410 122.807 3.603 17968
176 1 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.377 -0.086 17968
177 1 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.299 0.031 17968
178 1 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.025 -0.095 17968
179 1 . 1 1 40 40 LEU H H 38 9.780 9.780 8.263 1.517 17968
180 1 . 1 1 41 41 ARG N N 39 126.610 126.610 121.467 5.143 17968
181 1 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.718 -0.268 17968
182 1 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.139 -1.209 17968
183 1 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.698 -2.668 17968
184 1 . 1 1 41 41 ARG H H 39 8.880 8.880 8.701 0.179 17968
185 1 . 1 1 42 42 ARG N N 40 116.410 116.410 118.949 -2.539 17968
186 1 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.013 -0.013 17968
187 1 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.260 -0.730 17968
188 1 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.703 3.127 17968
189 1 . 1 1 42 42 ARG H H 40 8.590 8.590 8.485 0.105 17968
190 1 . 1 1 43 43 GLU N N 41 117.710 117.710 118.479 -0.769 17968
191 1 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.200 0.060 17968
192 1 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.593 0.337 17968
193 1 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.014 1.516 17968
194 1 . 1 1 43 43 GLU H H 41 6.800 6.800 7.799 -0.999 17968
195 1 . 1 1 44 44 VAL N N 42 124.710 124.710 120.672 4.038 17968
196 1 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.625 -0.445 17968
197 1 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.288 1.242 17968
198 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.302 0.028 17968
199 1 . 1 1 44 44 VAL H H 42 7.760 7.760 7.758 0.002 17968
200 1 . 1 1 45 45 TYR N N 43 118.310 118.310 118.539 -0.229 17968
201 1 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.246 -0.056 17968
202 1 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.130 -0.001 17968
203 1 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.202 1.528 17968
204 1 . 1 1 45 45 TYR H H 43 7.600 7.600 7.698 -0.098 17968
205 1 . 1 1 46 46 ASP N N 44 120.910 120.910 120.195 0.715 17968
206 1 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.447 0.263 17968
207 1 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.442 0.588 17968
208 1 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.690 0.140 17968
209 1 . 1 1 46 46 ASP H H 44 8.660 8.660 7.812 0.848 17968
210 1 . 1 1 47 47 PHE N N 45 125.310 125.310 120.041 5.269 17968
211 1 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.202 -0.272 17968
212 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.385 1.245 17968
213 1 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.278 -0.248 17968
214 1 . 1 1 47 47 PHE H H 45 8.250 8.250 8.039 0.211 17968
215 1 . 1 1 48 48 ALA N N 46 119.710 119.710 120.772 -1.062 17968
216 1 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.251 0.249 17968
217 1 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.723 0.407 17968
218 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.618 0.112 17968
219 1 . 1 1 48 48 ALA H H 46 7.790 7.790 7.624 0.166 17968
220 1 . 1 1 49 49 PHE N N 47 123.210 123.210 118.546 4.664 17968
221 1 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.347 0.203 17968
222 1 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.435 0.095 17968
223 1 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.759 -0.729 17968
224 1 . 1 1 49 49 PHE H H 47 9.040 9.040 7.954 1.086 17968
225 1 . 1 1 50 50 ARG N N 48 119.810 119.810 118.501 1.309 17968
226 1 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.433 -0.383 17968
227 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.691 2.439 17968
228 1 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.731 -0.701 17968
229 1 . 1 1 50 50 ARG H H 48 8.100 8.100 7.654 0.446 17968
230 1 . 1 1 51 51 ASP N N 49 120.910 120.910 121.200 -0.290 17968
231 1 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.595 -0.145 17968
232 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.144 0.386 17968
233 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.172 -0.242 17968
234 1 . 1 1 51 51 ASP H H 49 8.010 8.010 8.521 -0.511 17968
235 1 . 1 1 52 52 LEU N N 50 118.510 118.510 123.400 -4.890 17968
236 1 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.519 -0.349 17968
237 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.628 0.602 17968
238 1 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.546 -3.316 17968
239 1 . 1 1 52 52 LEU H H 50 6.720 6.720 7.679 -0.959 17968
240 1 . 1 1 53 53 CYS N N 51 117.410 117.410 118.573 -1.163 17968
241 1 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.106 -0.196 17968
242 1 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.938 1.792 17968
243 1 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.321 -1.592 17968
244 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.290 -0.261 17968
245 1 . 1 1 54 54 ILE N N 52 125.110 125.110 123.303 1.807 17968
246 1 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.242 -0.252 17968
247 1 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.671 -1.741 17968
248 1 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.388 -0.658 17968
249 1 . 1 1 54 54 ILE H H 52 8.450 8.450 8.443 0.007 17968
250 1 . 1 1 55 55 VAL N N 53 127.010 127.010 124.526 2.484 17968
251 1 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.345 0.005 17968
252 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.166 -0.536 17968
253 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.411 1.819 17968
254 1 . 1 1 55 55 VAL H H 53 8.120 8.120 8.082 0.038 17968
255 1 . 1 1 56 56 TYR N N 54 125.010 125.010 127.168 -2.159 17968
256 1 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.052 0.328 17968
257 1 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.476 -0.046 17968
258 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.186 1.844 17968
259 1 . 1 1 56 56 TYR H H 54 8.710 8.710 8.668 0.041 17968
260 1 . 1 1 57 57 ARG N N 55 123.810 123.810 126.037 -2.227 17968
261 1 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.349 0.281 17968
262 1 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.478 -0.148 17968
263 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.281 2.549 17968
264 1 . 1 1 57 57 ARG H H 55 8.860 8.860 8.403 0.457 17968
265 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.682 3.428 17968
266 1 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.333 -0.033 17968
267 1 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.107 -0.377 17968
268 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.307 -0.177 17968
269 1 . 1 1 58 58 ASP H H 56 9.630 9.630 8.995 0.635 17968
270 1 . 1 1 59 59 GLY N N 57 104.510 104.510 105.423 -0.913 17968
271 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.319 0.311 17968
272 1 . 1 1 59 59 GLY H H 57 8.710 8.710 8.382 0.328 17968
273 1 . 1 1 60 60 ASN N N 58 122.110 122.110 119.393 2.717 17968
274 1 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.224 0.156 17968
275 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.536 -0.206 17968
276 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.987 -0.557 17968
277 1 . 1 1 60 60 ASN H H 58 8.130 8.130 7.871 0.259 17968
278 1 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.618 0.152 17968
279 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.754 -0.724 17968
280 1 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.030 2.400 17968
281 1 . 1 1 62 62 TYR N N 60 119.910 119.910 123.949 -4.039 17968
282 1 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.773 -0.423 17968
283 1 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.656 1.474 17968
284 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.524 0.906 17968
285 1 . 1 1 62 62 TYR H H 60 8.580 8.580 7.908 0.672 17968
286 1 . 1 1 63 63 ALA N N 61 123.710 123.710 121.054 2.656 17968
287 1 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.544 -0.164 17968
288 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.716 -0.386 17968
289 1 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.550 -1.320 17968
290 1 . 1 1 63 63 ALA H H 61 7.980 7.980 8.942 -0.962 17968
291 1 . 1 1 64 64 VAL N N 62 120.610 120.610 118.205 2.405 17968
292 1 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.350 1.130 17968
293 1 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.129 0.201 17968
294 1 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.111 3.119 17968
295 1 . 1 1 64 64 VAL H H 62 6.330 6.330 8.231 -1.901 17968
296 1 . 1 1 65 65 CYS N N 63 130.310 130.310 124.159 6.151 17968
297 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.587 -0.027 17968
298 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.585 0.845 17968
299 1 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.339 1.691 17968
300 1 . 1 1 65 65 CYS H H 63 9.420 9.420 8.556 0.864 17968
301 1 . 1 1 66 66 ASP N N 64 121.110 121.110 120.600 0.510 17968
302 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.318 0.092 17968
303 1 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.715 0.715 17968
304 1 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.933 1.597 17968
305 1 . 1 1 66 66 ASP H H 64 9.040 9.040 9.003 0.037 17968
306 1 . 1 1 67 67 LYS N N 65 121.910 121.910 119.130 2.780 17968
307 1 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.178 -0.188 17968
308 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.154 0.976 17968
309 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.462 0.368 17968
310 1 . 1 1 67 67 LYS H H 65 8.330 8.330 8.073 0.257 17968
311 1 . 1 1 68 68 CYS N N 66 125.510 125.510 119.035 6.475 17968
312 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.527 -0.417 17968
313 1 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.667 2.063 17968
314 1 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.009 4.621 17968
315 1 . 1 1 68 68 CYS H H 66 8.690 8.690 7.840 0.850 17968
316 1 . 1 1 69 69 LEU N N 67 125.110 125.110 121.646 3.464 17968
317 1 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.129 -0.099 17968
318 1 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.136 0.494 17968
319 1 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.068 0.162 17968
320 1 . 1 1 69 69 LEU H H 67 8.460 8.460 8.500 -0.040 17968
321 1 . 1 1 70 70 LYS N N 68 119.210 119.210 117.485 1.725 17968
322 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.160 -0.180 17968
323 1 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.127 0.903 17968
324 1 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.415 -0.185 17968
325 1 . 1 1 70 70 LYS H H 68 7.830 7.830 7.750 0.080 17968
326 1 . 1 1 71 71 PHE N N 69 121.710 121.710 118.621 3.089 17968
327 1 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.261 0.009 17968
328 1 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.229 -0.099 17968
329 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.512 -0.082 17968
330 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.593 0.217 17968
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