data_17729
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17729
_Entry.PDB_ID 2LEV
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 17729
_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 7 7 HIS N N -3 120.845 120.845 110.070 10.775 17729
2 1 1 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.374 0.158 17729
3 1 1 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.671 -1.148 17729
4 1 1 . 1 1 7 7 HIS CB C -3 29.612 29.612 27.093 2.519 17729
5 1 1 . 1 1 7 7 HIS H H -3 8.599 8.599 8.473 0.126 17729
6 1 1 . 1 1 8 8 SER N N -2 117.754 117.754 114.174 3.580 17729
7 1 1 . 1 1 8 8 SER HA H -2 4.295 4.295 4.428 -0.133 17729
8 1 1 . 1 1 8 8 SER CA C -2 58.301 58.301 58.993 -0.692 17729
9 1 1 . 1 1 8 8 SER CB C -2 63.759 63.759 64.931 -1.172 17729
10 1 1 . 1 1 8 8 SER H H -2 8.407 8.407 7.448 0.959 17729
11 1 1 . 1 1 9 9 MET N N -1 122.201 122.201 118.962 3.239 17729
12 1 1 . 1 1 9 9 MET HA H -1 4.371 4.371 4.226 0.145 17729
13 1 1 . 1 1 9 9 MET CA C -1 55.513 55.513 56.133 -0.620 17729
14 1 1 . 1 1 9 9 MET CB C -1 32.610 32.610 32.465 0.145 17729
15 1 1 . 1 1 9 9 MET H H -1 8.467 8.467 7.969 0.498 17729
16 1 1 . 1 1 10 10 GLY N N 0 109.518 109.518 109.393 0.125 17729
17 1 1 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.861 0.506 17729
18 1 1 . 1 1 10 10 GLY H H 0 8.303 8.303 8.385 -0.082 17729
19 1 1 . 1 1 11 11 ASN N N 1 118.803 118.803 122.356 -3.553 17729
20 1 1 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.942 -0.336 17729
21 1 1 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.897 0.359 17729
22 1 1 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.428 -1.534 17729
23 1 1 . 1 1 11 11 ASN H H 1 8.275 8.275 7.882 0.393 17729
24 1 1 . 1 1 12 12 SER N N 2 115.840 115.840 116.821 -0.981 17729
25 1 1 . 1 1 12 12 SER HA H 2 4.310 4.310 4.548 -0.238 17729
26 1 1 . 1 1 12 12 SER CA C 2 58.559 58.559 58.786 -0.227 17729
27 1 1 . 1 1 12 12 SER CB C 2 63.659 63.659 64.926 -1.267 17729
28 1 1 . 1 1 12 12 SER H H 2 8.224 8.224 8.508 -0.284 17729
29 1 1 . 1 1 13 13 SER N N 3 117.557 117.557 118.619 -1.062 17729
30 1 1 . 1 1 13 13 SER HA H 3 4.304 4.304 4.558 -0.254 17729
31 1 1 . 1 1 13 13 SER CA C 3 58.541 58.541 58.319 0.222 17729
32 1 1 . 1 1 13 13 SER CB C 3 63.661 63.661 62.769 0.892 17729
33 1 1 . 1 1 13 13 SER H H 3 8.228 8.228 8.305 -0.077 17729
34 1 1 . 1 1 14 14 LYS N N 4 122.301 122.301 121.124 1.177 17729
35 1 1 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.430 -0.249 17729
36 1 1 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.910 0.573 17729
37 1 1 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.180 -2.398 17729
38 1 1 . 1 1 14 14 LYS H H 4 8.192 8.192 7.803 0.389 17729
39 1 1 . 1 1 15 15 GLY N N 5 109.122 109.122 110.469 -1.347 17729
40 1 1 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.542 0.001 17729
41 1 1 . 1 1 15 15 GLY H H 5 8.275 8.275 8.560 -0.285 17729
42 1 1 . 1 1 16 16 VAL N N 6 117.135 117.135 125.782 -8.647 17729
43 1 1 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.106 0.309 17729
44 1 1 . 1 1 16 16 VAL CA C 6 60.773 60.773 61.052 -0.279 17729
45 1 1 . 1 1 16 16 VAL CB C 6 33.830 33.830 32.704 1.126 17729
46 1 1 . 1 1 16 16 VAL H H 6 7.522 7.522 7.949 -0.427 17729
47 1 1 . 1 1 17 17 TYR N N 7 120.317 120.317 122.908 -2.591 17729
48 1 1 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.352 -0.971 17729
49 1 1 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.364 1.127 17729
50 1 1 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.349 -1.218 17729
51 1 1 . 1 1 17 17 TYR H H 7 7.929 7.929 8.039 -0.110 17729
52 1 1 . 1 1 18 18 TYR N N 8 117.105 117.105 118.646 -1.541 17729
53 1 1 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.258 0.068 17729
54 1 1 . 1 1 18 18 TYR CA C 8 56.891 56.891 57.787 -0.896 17729
55 1 1 . 1 1 18 18 TYR CB C 8 41.298 41.298 41.343 -0.045 17729
56 1 1 . 1 1 18 18 TYR H H 8 8.646 8.646 9.167 -0.521 17729
57 1 1 . 1 1 19 19 ARG N N 9 122.698 122.698 125.180 -2.482 17729
58 1 1 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.515 0.034 17729
59 1 1 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.315 0.482 17729
60 1 1 . 1 1 19 19 ARG CB C 9 35.578 35.578 33.681 1.897 17729
61 1 1 . 1 1 19 19 ARG H H 9 9.373 9.373 9.284 0.089 17729
62 1 1 . 1 1 20 20 ASN N N 10 122.244 122.244 124.798 -2.554 17729
63 1 1 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.708 0.244 17729
64 1 1 . 1 1 20 20 ASN CA C 10 49.964 49.964 50.614 -0.650 17729
65 1 1 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.826 -2.271 17729
66 1 1 . 1 1 20 20 ASN H H 10 7.651 7.651 7.728 -0.077 17729
67 1 1 . 1 1 21 21 GLU N N 11 118.795 118.795 118.811 -0.016 17729
68 1 1 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.974 -0.052 17729
69 1 1 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.994 -0.208 17729
70 1 1 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.525 0.470 17729
71 1 1 . 1 1 21 21 GLU H H 11 8.889 8.889 8.449 0.440 17729
72 1 1 . 1 1 22 22 GLU N N 12 116.576 116.576 118.477 -1.901 17729
73 1 1 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.060 0.062 17729
74 1 1 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.296 -0.066 17729
75 1 1 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.729 -0.340 17729
76 1 1 . 1 1 22 22 GLU H H 12 7.280 7.280 8.178 -0.898 17729
77 1 1 . 1 1 23 23 GLY N N 13 106.901 106.901 107.258 -0.357 17729
78 1 1 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.124 0.011 17729
79 1 1 . 1 1 23 23 GLY H H 13 7.732 7.732 7.828 -0.096 17729
80 1 1 . 1 1 24 24 GLN N N 14 121.137 121.137 119.474 1.663 17729
81 1 1 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.289 -0.163 17729
82 1 1 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.919 0.190 17729
83 1 1 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.720 -0.625 17729
84 1 1 . 1 1 24 24 GLN H H 14 7.737 7.737 7.866 -0.129 17729
85 1 1 . 1 1 25 25 THR N N 15 109.710 109.710 111.206 -1.496 17729
86 1 1 . 1 1 25 25 THR HA H 15 5.829 5.829 6.083 -0.254 17729
87 1 1 . 1 1 25 25 THR CA C 15 60.280 60.280 60.175 0.105 17729
88 1 1 . 1 1 25 25 THR CB C 15 73.126 73.126 71.487 1.639 17729
89 1 1 . 1 1 25 25 THR H H 15 8.351 8.351 8.407 -0.056 17729
90 1 1 . 1 1 26 26 TRP N N 16 122.132 122.132 126.468 -4.336 17729
91 1 1 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.086 0.189 17729
92 1 1 . 1 1 26 26 TRP CA C 16 56.638 56.638 55.657 0.980 17729
93 1 1 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.196 0.070 17729
94 1 1 . 1 1 26 26 TRP H H 16 9.480 9.480 9.291 0.189 17729
95 1 1 . 1 1 27 27 SER N N 17 124.023 124.023 123.363 0.660 17729
96 1 1 . 1 1 27 27 SER HA H 17 4.231 4.231 4.308 -0.077 17729
97 1 1 . 1 1 27 27 SER CA C 17 59.522 59.522 60.949 -1.427 17729
98 1 1 . 1 1 27 27 SER CB C 17 64.161 64.161 63.709 0.452 17729
99 1 1 . 1 1 27 27 SER H H 17 8.802 8.802 8.994 -0.192 17729
100 1 1 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.281 -0.053 17729
101 1 1 . 1 1 29 29 VAL N N 19 117.282 117.282 119.675 -2.393 17729
102 1 1 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.361 -0.562 17729
103 1 1 . 1 1 29 29 VAL CA C 19 60.724 60.724 60.873 -0.149 17729
104 1 1 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.083 1.173 17729
105 1 1 . 1 1 29 29 VAL H H 19 6.540 6.540 7.255 -0.715 17729
106 1 1 . 1 1 30 30 GLY N N 20 111.415 111.415 112.337 -0.922 17729
107 1 1 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.835 -1.217 17729
108 1 1 . 1 1 30 30 GLY H H 20 8.348 8.348 8.640 -0.292 17729
109 1 1 . 1 1 31 31 ARG N N 21 118.607 118.607 124.083 -5.476 17729
110 1 1 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.709 -1.111 17729
111 1 1 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.626 2.794 17729
112 1 1 . 1 1 31 31 ARG H H 21 6.840 6.840 8.371 -1.531 17729
113 1 1 . 1 1 32 32 GLN N N 22 119.299 119.299 119.475 -0.176 17729
114 1 1 . 1 1 32 32 GLN HA H 22 2.702 2.702 2.616 0.086 17729
115 1 1 . 1 1 32 32 GLN CA C 22 52.780 52.780 53.049 -0.269 17729
116 1 1 . 1 1 32 32 GLN CB C 22 27.170 27.170 26.926 0.244 17729
117 1 1 . 1 1 32 32 GLN H H 22 6.214 6.214 8.041 -1.827 17729
118 1 1 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.196 0.191 17729
119 1 1 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.613 -1.099 17729
120 1 1 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.923 0.259 17729
121 1 1 . 1 1 34 34 ARG N N 24 123.469 123.469 120.473 2.996 17729
122 1 1 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.894 -0.412 17729
123 1 1 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.892 0.972 17729
124 1 1 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.287 0.191 17729
125 1 1 . 1 1 34 34 ARG H H 24 9.154 9.154 8.573 0.581 17729
126 1 1 . 1 1 35 35 TRP N N 25 113.687 113.687 116.979 -3.292 17729
127 1 1 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.603 -0.509 17729
128 1 1 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.766 0.807 17729
129 1 1 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.398 -1.373 17729
130 1 1 . 1 1 35 35 TRP H H 25 7.813 7.813 7.964 -0.151 17729
131 1 1 . 1 1 36 36 LEU N N 26 125.176 125.176 123.708 1.468 17729
132 1 1 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.913 -0.629 17729
133 1 1 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.251 -0.865 17729
134 1 1 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.701 -0.393 17729
135 1 1 . 1 1 36 36 LEU H H 26 5.622 5.622 7.147 -1.525 17729
136 1 1 . 1 1 37 37 LYS N N 27 119.347 119.347 119.333 0.014 17729
137 1 1 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.830 -0.364 17729
138 1 1 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.893 -0.216 17729
139 1 1 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.167 -0.590 17729
140 1 1 . 1 1 37 37 LYS H H 27 7.264 7.264 7.373 -0.109 17729
141 1 1 . 1 1 38 38 GLU N N 28 116.166 116.166 118.628 -2.462 17729
142 1 1 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.061 -0.323 17729
143 1 1 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.945 0.200 17729
144 1 1 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.253 -0.073 17729
145 1 1 . 1 1 38 38 GLU H H 28 8.355 8.355 7.567 0.788 17729
146 1 1 . 1 1 39 39 ALA N N 29 122.540 122.540 121.803 0.737 17729
147 1 1 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.079 0.108 17729
148 1 1 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.925 0.439 17729
149 1 1 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.509 -0.004 17729
150 1 1 . 1 1 39 39 ALA H H 29 7.220 7.220 8.409 -1.189 17729
151 1 1 . 1 1 40 40 LEU N N 30 119.110 119.110 120.319 -1.209 17729
152 1 1 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.648 -0.431 17729
153 1 1 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.946 -0.694 17729
154 1 1 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.540 -2.347 17729
155 1 1 . 1 1 40 40 LEU H H 30 8.143 8.143 8.022 0.121 17729
156 1 1 . 1 1 41 41 LEU N N 31 121.655 121.655 115.006 6.649 17729
157 1 1 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.226 -0.184 17729
158 1 1 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.769 0.478 17729
159 1 1 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.145 0.515 17729
160 1 1 . 1 1 41 41 LEU H H 31 7.754 7.754 7.887 -0.133 17729
161 1 1 . 1 1 42 42 ASN N N 32 116.379 116.379 117.487 -1.108 17729
162 1 1 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.639 0.107 17729
163 1 1 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.276 -1.224 17729
164 1 1 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.255 -0.018 17729
165 1 1 . 1 1 42 42 ASN H H 32 7.475 7.475 7.920 -0.445 17729
166 1 1 . 1 1 43 43 GLY N N 33 106.130 106.130 107.538 -1.408 17729
167 1 1 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.865 0.946 17729
168 1 1 . 1 1 43 43 GLY H H 33 7.674 7.674 7.762 -0.088 17729
169 1 1 . 1 1 44 44 MET N N 34 118.621 118.621 116.750 1.871 17729
170 1 1 . 1 1 44 44 MET HA H 34 4.527 4.527 5.004 -0.477 17729
171 1 1 . 1 1 44 44 MET CA C 34 55.077 55.077 54.420 0.657 17729
172 1 1 . 1 1 44 44 MET CB C 34 32.646 32.646 36.011 -3.365 17729
173 1 1 . 1 1 44 44 MET H H 34 7.731 7.731 7.408 0.323 17729
174 1 1 . 1 1 45 45 LYS N N 35 117.415 117.415 122.523 -5.108 17729
175 1 1 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.478 0.195 17729
176 1 1 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.360 -2.243 17729
177 1 1 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.074 1.763 17729
178 1 1 . 1 1 45 45 LYS H H 35 8.594 8.594 8.864 -0.270 17729
179 1 1 . 1 1 46 46 LYS N N 36 122.938 122.938 122.055 0.883 17729
180 1 1 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.324 0.492 17729
181 1 1 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.874 2.445 17729
182 1 1 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.494 0.739 17729
183 1 1 . 1 1 46 46 LYS H H 36 9.050 9.050 8.858 0.192 17729
184 1 1 . 1 1 47 47 GLU N N 37 114.163 114.163 118.524 -4.361 17729
185 1 1 . 1 1 47 47 GLU HA H 37 4.049 4.049 3.982 0.067 17729
186 1 1 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.660 1.078 17729
187 1 1 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.416 0.114 17729
188 1 1 . 1 1 47 47 GLU H H 37 9.129 9.129 8.663 0.466 17729
189 1 1 . 1 1 48 48 ASP N N 38 119.868 119.868 118.623 1.245 17729
190 1 1 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.616 -0.414 17729
191 1 1 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.342 0.558 17729
192 1 1 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.089 -0.909 17729
193 1 1 . 1 1 48 48 ASP H H 38 7.829 7.829 7.865 -0.036 17729
194 1 1 . 1 1 49 49 PHE N N 39 116.115 116.115 112.796 3.319 17729
195 1 1 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.682 0.063 17729
196 1 1 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.263 2.201 17729
197 1 1 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.543 1.853 17729
198 1 1 . 1 1 49 49 PHE H H 39 7.909 7.909 7.146 0.763 17729
199 1 1 . 1 1 50 50 LEU N N 40 122.224 122.224 123.854 -1.630 17729
200 1 1 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.365 -0.469 17729
201 1 1 . 1 1 50 50 LEU CA C 40 56.197 56.197 53.872 2.325 17729
202 1 1 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.288 1.302 17729
203 1 1 . 1 1 50 50 LEU H H 40 6.974 6.974 7.448 -0.474 17729
204 1 1 . 1 1 51 51 VAL N N 41 127.077 127.077 126.096 0.981 17729
205 1 1 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.322 -0.461 17729
206 1 1 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.208 1.531 17729
207 1 1 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.658 -1.325 17729
208 1 1 . 1 1 51 51 VAL H H 41 8.648 8.648 8.326 0.322 17729
209 1 1 . 1 1 52 52 LYS N N 42 123.896 123.896 126.556 -2.660 17729
210 1 1 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.484 -0.097 17729
211 1 1 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.876 1.465 17729
212 1 1 . 1 1 52 52 LYS CB C 42 33.813 33.813 33.619 0.194 17729
213 1 1 . 1 1 52 52 LYS H H 42 8.077 8.077 8.254 -0.177 17729
214 1 1 . 1 1 53 53 ASP N N 43 122.944 122.944 119.053 3.891 17729
215 1 1 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.510 0.024 17729
216 1 1 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.859 -2.532 17729
217 1 1 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.038 0.100 17729
218 1 1 . 1 1 53 53 ASP H H 43 8.332 8.332 8.393 -0.061 17729
219 1 1 . 1 1 54 54 THR N N 44 113.734 113.734 111.872 1.862 17729
220 1 1 . 1 1 54 54 THR HA H 44 4.184 4.184 4.382 -0.198 17729
221 1 1 . 1 1 54 54 THR CA C 44 61.564 61.564 61.562 0.002 17729
222 1 1 . 1 1 54 54 THR CB C 44 69.719 69.719 69.656 0.063 17729
223 1 1 . 1 1 54 54 THR H H 44 7.950 7.950 7.426 0.524 17729
224 1 1 . 1 1 55 55 GLU N N 45 122.650 122.650 121.096 1.554 17729
225 1 1 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.969 0.194 17729
226 1 1 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.637 -1.210 17729
227 1 1 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.307 1.870 17729
228 1 1 . 1 1 55 55 GLU H H 45 8.289 8.289 8.655 -0.366 17729
229 1 1 . 1 1 56 56 GLU N N 46 121.892 121.892 119.555 2.337 17729
230 1 1 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.321 -0.176 17729
231 1 1 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.107 0.248 17729
232 1 1 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.609 -0.167 17729
233 1 1 . 1 1 56 56 GLU H H 46 8.192 8.192 8.065 0.127 17729
234 1 2 . 1 1 7 7 HIS N N -3 120.845 120.845 109.869 10.976 17729
235 1 2 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.441 0.091 17729
236 1 2 . 1 1 7 7 HIS CA C -3 55.523 55.523 57.082 -1.559 17729
237 1 2 . 1 1 7 7 HIS CB C -3 29.612 29.612 27.304 2.308 17729
238 1 2 . 1 1 7 7 HIS H H -3 8.599 8.599 8.576 0.023 17729
239 1 2 . 1 1 8 8 SER N N -2 117.754 117.754 115.152 2.602 17729
240 1 2 . 1 1 8 8 SER HA H -2 4.295 4.295 4.339 -0.044 17729
241 1 2 . 1 1 8 8 SER CA C -2 58.301 58.301 59.239 -0.938 17729
242 1 2 . 1 1 8 8 SER CB C -2 63.759 63.759 64.822 -1.062 17729
243 1 2 . 1 1 8 8 SER H H -2 8.407 8.407 7.343 1.064 17729
244 1 2 . 1 1 9 9 MET N N -1 122.201 122.201 119.102 3.099 17729
245 1 2 . 1 1 9 9 MET HA H -1 4.371 4.371 4.117 0.254 17729
246 1 2 . 1 1 9 9 MET CA C -1 55.513 55.513 56.404 -0.891 17729
247 1 2 . 1 1 9 9 MET CB C -1 32.610 32.610 31.973 0.637 17729
248 1 2 . 1 1 9 9 MET H H -1 8.467 8.467 7.747 0.720 17729
249 1 2 . 1 1 10 10 GLY N N 0 109.518 109.518 109.436 0.082 17729
250 1 2 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.889 0.478 17729
251 1 2 . 1 1 10 10 GLY H H 0 8.303 8.303 8.309 -0.006 17729
252 1 2 . 1 1 11 11 ASN N N 1 118.803 118.803 121.982 -3.179 17729
253 1 2 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.843 -0.237 17729
254 1 2 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.488 -0.232 17729
255 1 2 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.139 -1.245 17729
256 1 2 . 1 1 11 11 ASN H H 1 8.275 8.275 8.185 0.089 17729
257 1 2 . 1 1 12 12 SER N N 2 115.840 115.840 118.990 -3.150 17729
258 1 2 . 1 1 12 12 SER HA H 2 4.310 4.310 4.627 -0.317 17729
259 1 2 . 1 1 12 12 SER CA C 2 58.559 58.559 58.145 0.414 17729
260 1 2 . 1 1 12 12 SER CB C 2 63.659 63.659 64.808 -1.149 17729
261 1 2 . 1 1 12 12 SER H H 2 8.224 8.224 8.647 -0.423 17729
262 1 2 . 1 1 13 13 SER N N 3 117.557 117.557 115.426 2.131 17729
263 1 2 . 1 1 13 13 SER HA H 3 4.304 4.304 4.606 -0.302 17729
264 1 2 . 1 1 13 13 SER CA C 3 58.541 58.541 58.671 -0.130 17729
265 1 2 . 1 1 13 13 SER CB C 3 63.661 63.661 64.038 -0.377 17729
266 1 2 . 1 1 13 13 SER H H 3 8.228 8.228 8.256 -0.028 17729
267 1 2 . 1 1 14 14 LYS N N 4 122.301 122.301 121.226 1.075 17729
268 1 2 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.542 -0.361 17729
269 1 2 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.051 1.431 17729
270 1 2 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.310 -2.528 17729
271 1 2 . 1 1 14 14 LYS H H 4 8.192 8.192 7.431 0.761 17729
272 1 2 . 1 1 15 15 GLY N N 5 109.122 109.122 110.013 -0.891 17729
273 1 2 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.805 -0.262 17729
274 1 2 . 1 1 15 15 GLY H H 5 8.275 8.275 8.641 -0.366 17729
275 1 2 . 1 1 16 16 VAL N N 6 117.135 117.135 126.407 -9.272 17729
276 1 2 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.174 0.241 17729
277 1 2 . 1 1 16 16 VAL CA C 6 60.773 60.773 60.245 0.528 17729
278 1 2 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.052 -0.222 17729
279 1 2 . 1 1 16 16 VAL H H 6 7.522 7.522 7.790 -0.268 17729
280 1 2 . 1 1 17 17 TYR N N 7 120.317 120.317 123.321 -3.004 17729
281 1 2 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.353 -0.972 17729
282 1 2 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.224 1.268 17729
283 1 2 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.297 -1.166 17729
284 1 2 . 1 1 17 17 TYR H H 7 7.929 7.929 7.836 0.093 17729
285 1 2 . 1 1 18 18 TYR N N 8 117.105 117.105 118.254 -1.149 17729
286 1 2 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.329 -0.003 17729
287 1 2 . 1 1 18 18 TYR CA C 8 56.891 56.891 57.657 -0.766 17729
288 1 2 . 1 1 18 18 TYR CB C 8 41.298 41.298 41.787 -0.489 17729
289 1 2 . 1 1 18 18 TYR H H 8 8.646 8.646 9.408 -0.762 17729
290 1 2 . 1 1 19 19 ARG N N 9 122.698 122.698 124.069 -1.371 17729
291 1 2 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.346 0.203 17729
292 1 2 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.687 0.110 17729
293 1 2 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.553 1.025 17729
294 1 2 . 1 1 19 19 ARG H H 9 9.373 9.373 8.854 0.519 17729
295 1 2 . 1 1 20 20 ASN N N 10 122.244 122.244 124.025 -1.781 17729
296 1 2 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.805 0.147 17729
297 1 2 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.683 -1.719 17729
298 1 2 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.178 -1.623 17729
299 1 2 . 1 1 20 20 ASN H H 10 7.651 7.651 7.792 -0.141 17729
300 1 2 . 1 1 21 21 GLU N N 11 118.795 118.795 117.693 1.102 17729
301 1 2 . 1 1 21 21 GLU HA H 11 3.922 3.922 4.003 -0.081 17729
302 1 2 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.141 -0.355 17729
303 1 2 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.705 0.290 17729
304 1 2 . 1 1 21 21 GLU H H 11 8.889 8.889 8.800 0.088 17729
305 1 2 . 1 1 22 22 GLU N N 12 116.576 116.576 118.516 -1.940 17729
306 1 2 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.081 0.041 17729
307 1 2 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.379 -0.149 17729
308 1 2 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.803 -0.414 17729
309 1 2 . 1 1 22 22 GLU H H 12 7.280 7.280 8.194 -0.914 17729
310 1 2 . 1 1 23 23 GLY N N 13 106.901 106.901 107.302 -0.401 17729
311 1 2 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.162 -0.027 17729
312 1 2 . 1 1 23 23 GLY H H 13 7.732 7.732 7.820 -0.088 17729
313 1 2 . 1 1 24 24 GLN N N 14 121.137 121.137 118.928 2.209 17729
314 1 2 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.319 -0.193 17729
315 1 2 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.271 0.838 17729
316 1 2 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.021 -0.926 17729
317 1 2 . 1 1 24 24 GLN H H 14 7.737 7.737 7.689 0.048 17729
318 1 2 . 1 1 25 25 THR N N 15 109.710 109.710 110.907 -1.197 17729
319 1 2 . 1 1 25 25 THR HA H 15 5.829 5.829 5.892 -0.063 17729
320 1 2 . 1 1 25 25 THR CA C 15 60.280 60.280 60.339 -0.059 17729
321 1 2 . 1 1 25 25 THR CB C 15 73.126 73.126 71.252 1.874 17729
322 1 2 . 1 1 25 25 THR H H 15 8.351 8.351 8.276 0.075 17729
323 1 2 . 1 1 26 26 TRP N N 16 122.132 122.132 127.239 -5.107 17729
324 1 2 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.150 0.125 17729
325 1 2 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.155 0.483 17729
326 1 2 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.014 0.252 17729
327 1 2 . 1 1 26 26 TRP H H 16 9.480 9.480 9.515 -0.035 17729
328 1 2 . 1 1 27 27 SER N N 17 124.023 124.023 124.415 -0.392 17729
329 1 2 . 1 1 27 27 SER HA H 17 4.231 4.231 4.383 -0.152 17729
330 1 2 . 1 1 27 27 SER CA C 17 59.522 59.522 61.022 -1.500 17729
331 1 2 . 1 1 27 27 SER CB C 17 64.161 64.161 63.675 0.486 17729
332 1 2 . 1 1 27 27 SER H H 17 8.802 8.802 9.058 -0.256 17729
333 1 2 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.007 0.221 17729
334 1 2 . 1 1 29 29 VAL N N 19 117.282 117.282 116.228 1.054 17729
335 1 2 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.467 -0.668 17729
336 1 2 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.917 0.807 17729
337 1 2 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.194 1.062 17729
338 1 2 . 1 1 29 29 VAL H H 19 6.540 6.540 7.252 -0.712 17729
339 1 2 . 1 1 30 30 GLY N N 20 111.415 111.415 112.532 -1.117 17729
340 1 2 . 1 1 30 30 GLY CA C 20 44.618 44.618 46.465 -1.847 17729
341 1 2 . 1 1 30 30 GLY H H 20 8.348 8.348 8.660 -0.312 17729
342 1 2 . 1 1 31 31 ARG N N 21 118.607 118.607 125.312 -6.705 17729
343 1 2 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.719 -1.121 17729
344 1 2 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.402 3.018 17729
345 1 2 . 1 1 31 31 ARG H H 21 6.840 6.840 8.401 -1.561 17729
346 1 2 . 1 1 32 32 GLN N N 22 119.299 119.299 120.944 -1.645 17729
347 1 2 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.141 -0.439 17729
348 1 2 . 1 1 32 32 GLN CA C 22 52.780 52.780 53.341 -0.561 17729
349 1 2 . 1 1 32 32 GLN CB C 22 27.170 27.170 27.323 -0.152 17729
350 1 2 . 1 1 32 32 GLN H H 22 6.214 6.214 8.240 -2.026 17729
351 1 2 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.134 0.253 17729
352 1 2 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.893 -1.379 17729
353 1 2 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.182 -0.000 17729
354 1 2 . 1 1 34 34 ARG N N 24 123.469 123.469 119.190 4.279 17729
355 1 2 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.923 -0.441 17729
356 1 2 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.039 0.825 17729
357 1 2 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.544 -0.066 17729
358 1 2 . 1 1 34 34 ARG H H 24 9.154 9.154 8.704 0.450 17729
359 1 2 . 1 1 35 35 TRP N N 25 113.687 113.687 117.425 -3.738 17729
360 1 2 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.525 -0.431 17729
361 1 2 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.177 2.396 17729
362 1 2 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.973 -0.948 17729
363 1 2 . 1 1 35 35 TRP H H 25 7.813 7.813 7.432 0.381 17729
364 1 2 . 1 1 36 36 LEU N N 26 125.176 125.176 122.695 2.481 17729
365 1 2 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.857 -0.573 17729
366 1 2 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.508 -1.122 17729
367 1 2 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.823 -0.515 17729
368 1 2 . 1 1 36 36 LEU H H 26 5.622 5.622 7.120 -1.498 17729
369 1 2 . 1 1 37 37 LYS N N 27 119.347 119.347 119.269 0.078 17729
370 1 2 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.890 -0.424 17729
371 1 2 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.523 0.154 17729
372 1 2 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.230 -0.653 17729
373 1 2 . 1 1 37 37 LYS H H 27 7.264 7.264 7.379 -0.115 17729
374 1 2 . 1 1 38 38 GLU N N 28 116.166 116.166 118.857 -2.691 17729
375 1 2 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.013 -0.275 17729
376 1 2 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.114 0.031 17729
377 1 2 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.159 0.021 17729
378 1 2 . 1 1 38 38 GLU H H 28 8.355 8.355 7.592 0.763 17729
379 1 2 . 1 1 39 39 ALA N N 29 122.540 122.540 120.857 1.683 17729
380 1 2 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.119 0.068 17729
381 1 2 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.703 0.661 17729
382 1 2 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.555 -0.050 17729
383 1 2 . 1 1 39 39 ALA H H 29 7.220 7.220 7.878 -0.658 17729
384 1 2 . 1 1 40 40 LEU N N 30 119.110 119.110 120.598 -1.488 17729
385 1 2 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.571 -0.354 17729
386 1 2 . 1 1 40 40 LEU CA C 30 57.252 57.252 58.225 -0.973 17729
387 1 2 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.740 -2.547 17729
388 1 2 . 1 1 40 40 LEU H H 30 8.143 8.143 7.784 0.359 17729
389 1 2 . 1 1 41 41 LEU N N 31 121.655 121.655 116.399 5.256 17729
390 1 2 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.176 -0.134 17729
391 1 2 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.029 0.218 17729
392 1 2 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.099 0.561 17729
393 1 2 . 1 1 41 41 LEU H H 31 7.754 7.754 8.448 -0.694 17729
394 1 2 . 1 1 42 42 ASN N N 32 116.379 116.379 117.109 -0.730 17729
395 1 2 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.590 0.156 17729
396 1 2 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.954 -0.902 17729
397 1 2 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.859 0.378 17729
398 1 2 . 1 1 42 42 ASN H H 32 7.475 7.475 7.888 -0.413 17729
399 1 2 . 1 1 43 43 GLY N N 33 106.130 106.130 107.642 -1.512 17729
400 1 2 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.850 0.961 17729
401 1 2 . 1 1 43 43 GLY H H 33 7.674 7.674 7.866 -0.192 17729
402 1 2 . 1 1 44 44 MET N N 34 118.621 118.621 117.473 1.148 17729
403 1 2 . 1 1 44 44 MET HA H 34 4.527 4.527 5.041 -0.514 17729
404 1 2 . 1 1 44 44 MET CA C 34 55.077 55.077 54.209 0.868 17729
405 1 2 . 1 1 44 44 MET CB C 34 32.646 32.646 35.670 -3.024 17729
406 1 2 . 1 1 44 44 MET H H 34 7.731 7.731 7.471 0.260 17729
407 1 2 . 1 1 45 45 LYS N N 35 117.415 117.415 120.737 -3.322 17729
408 1 2 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.561 0.112 17729
409 1 2 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.898 -1.781 17729
410 1 2 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.245 1.592 17729
411 1 2 . 1 1 45 45 LYS H H 35 8.594 8.594 8.749 -0.155 17729
412 1 2 . 1 1 46 46 LYS N N 36 122.938 122.938 121.890 1.048 17729
413 1 2 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.337 0.479 17729
414 1 2 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.828 2.491 17729
415 1 2 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.373 0.860 17729
416 1 2 . 1 1 46 46 LYS H H 36 9.050 9.050 8.876 0.174 17729
417 1 2 . 1 1 47 47 GLU N N 37 114.163 114.163 118.834 -4.671 17729
418 1 2 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.015 0.034 17729
419 1 2 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.870 0.868 17729
420 1 2 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.449 0.081 17729
421 1 2 . 1 1 47 47 GLU H H 37 9.129 9.129 8.682 0.447 17729
422 1 2 . 1 1 48 48 ASP N N 38 119.868 119.868 118.866 1.002 17729
423 1 2 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.351 -0.149 17729
424 1 2 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.133 -0.233 17729
425 1 2 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.519 -1.339 17729
426 1 2 . 1 1 48 48 ASP H H 38 7.829 7.829 7.878 -0.049 17729
427 1 2 . 1 1 49 49 PHE N N 39 116.115 116.115 113.672 2.443 17729
428 1 2 . 1 1 49 49 PHE HA H 39 4.745 4.745 5.161 -0.416 17729
429 1 2 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.047 2.417 17729
430 1 2 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.185 2.211 17729
431 1 2 . 1 1 49 49 PHE H H 39 7.909 7.909 7.135 0.774 17729
432 1 2 . 1 1 50 50 LEU N N 40 122.224 122.224 123.749 -1.525 17729
433 1 2 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.149 -0.253 17729
434 1 2 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.549 1.648 17729
435 1 2 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.447 1.143 17729
436 1 2 . 1 1 50 50 LEU H H 40 6.974 6.974 7.494 -0.520 17729
437 1 2 . 1 1 51 51 VAL N N 41 127.077 127.077 126.719 0.358 17729
438 1 2 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.366 -0.504 17729
439 1 2 . 1 1 51 51 VAL CA C 41 61.739 61.739 59.996 1.742 17729
440 1 2 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.635 -1.302 17729
441 1 2 . 1 1 51 51 VAL H H 41 8.648 8.648 8.628 0.020 17729
442 1 2 . 1 1 52 52 LYS N N 42 123.896 123.896 127.399 -3.503 17729
443 1 2 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.516 -0.129 17729
444 1 2 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.879 1.462 17729
445 1 2 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.470 -0.657 17729
446 1 2 . 1 1 52 52 LYS H H 42 8.077 8.077 7.982 0.095 17729
447 1 2 . 1 1 53 53 ASP N N 43 122.944 122.944 118.890 4.054 17729
448 1 2 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.396 0.138 17729
449 1 2 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.336 -2.009 17729
450 1 2 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.334 -0.196 17729
451 1 2 . 1 1 53 53 ASP H H 43 8.332 8.332 8.540 -0.208 17729
452 1 2 . 1 1 54 54 THR N N 44 113.734 113.734 113.632 0.102 17729
453 1 2 . 1 1 54 54 THR HA H 44 4.184 4.184 4.344 -0.160 17729
454 1 2 . 1 1 54 54 THR CA C 44 61.564 61.564 61.890 -0.326 17729
455 1 2 . 1 1 54 54 THR CB C 44 69.719 69.719 69.503 0.216 17729
456 1 2 . 1 1 54 54 THR H H 44 7.950 7.950 7.704 0.246 17729
457 1 2 . 1 1 55 55 GLU N N 45 122.650 122.650 123.805 -1.155 17729
458 1 2 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.926 0.237 17729
459 1 2 . 1 1 55 55 GLU CA C 45 56.427 56.427 56.960 -0.533 17729
460 1 2 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.603 2.574 17729
461 1 2 . 1 1 55 55 GLU H H 45 8.289 8.289 8.897 -0.608 17729
462 1 2 . 1 1 56 56 GLU N N 46 121.892 121.892 118.238 3.654 17729
463 1 2 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.298 -0.153 17729
464 1 2 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.683 0.672 17729
465 1 2 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.582 -0.140 17729
466 1 2 . 1 1 56 56 GLU H H 46 8.192 8.192 8.268 -0.076 17729
467 1 3 . 1 1 7 7 HIS N N -3 120.845 120.845 127.305 -6.460 17729
468 1 3 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.668 -0.136 17729
469 1 3 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.215 0.308 17729
470 1 3 . 1 1 7 7 HIS CB C -3 29.612 29.612 30.540 -0.928 17729
471 1 3 . 1 1 7 7 HIS H H -3 8.599 8.599 8.472 0.127 17729
472 1 3 . 1 1 8 8 SER N N -2 117.754 117.754 120.273 -2.519 17729
473 1 3 . 1 1 8 8 SER HA H -2 4.295 4.295 4.167 0.128 17729
474 1 3 . 1 1 8 8 SER CA C -2 58.301 58.301 60.400 -2.099 17729
475 1 3 . 1 1 8 8 SER CB C -2 63.759 63.759 63.539 0.219 17729
476 1 3 . 1 1 8 8 SER H H -2 8.407 8.407 8.089 0.318 17729
477 1 3 . 1 1 9 9 MET N N -1 122.201 122.201 121.024 1.177 17729
478 1 3 . 1 1 9 9 MET HA H -1 4.371 4.371 4.527 -0.156 17729
479 1 3 . 1 1 9 9 MET CA C -1 55.513 55.513 54.868 0.645 17729
480 1 3 . 1 1 9 9 MET CB C -1 32.610 32.610 35.652 -3.042 17729
481 1 3 . 1 1 9 9 MET H H -1 8.467 8.467 7.467 1.000 17729
482 1 3 . 1 1 10 10 GLY N N 0 109.518 109.518 107.212 2.306 17729
483 1 3 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.410 0.957 17729
484 1 3 . 1 1 10 10 GLY H H 0 8.303 8.303 8.333 -0.030 17729
485 1 3 . 1 1 11 11 ASN N N 1 118.803 118.803 115.770 3.033 17729
486 1 3 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.620 -0.014 17729
487 1 3 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.468 -0.212 17729
488 1 3 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.258 -0.364 17729
489 1 3 . 1 1 11 11 ASN H H 1 8.275 8.275 8.586 -0.311 17729
490 1 3 . 1 1 12 12 SER N N 2 115.840 115.840 114.172 1.668 17729
491 1 3 . 1 1 12 12 SER HA H 2 4.310 4.310 4.322 -0.012 17729
492 1 3 . 1 1 12 12 SER CA C 2 58.559 58.559 58.668 -0.109 17729
493 1 3 . 1 1 12 12 SER CB C 2 63.659 63.659 63.259 0.400 17729
494 1 3 . 1 1 12 12 SER H H 2 8.224 8.224 7.962 0.262 17729
495 1 3 . 1 1 13 13 SER N N 3 117.557 117.557 117.479 0.078 17729
496 1 3 . 1 1 13 13 SER HA H 3 4.304 4.304 4.319 -0.015 17729
497 1 3 . 1 1 13 13 SER CA C 3 58.541 58.541 58.846 -0.305 17729
498 1 3 . 1 1 13 13 SER CB C 3 63.661 63.661 63.805 -0.144 17729
499 1 3 . 1 1 13 13 SER H H 3 8.228 8.228 7.660 0.568 17729
500 1 3 . 1 1 14 14 LYS N N 4 122.301 122.301 123.159 -0.858 17729
501 1 3 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.171 0.010 17729
502 1 3 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.730 -0.247 17729
503 1 3 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.624 0.158 17729
504 1 3 . 1 1 14 14 LYS H H 4 8.192 8.192 8.270 -0.078 17729
505 1 3 . 1 1 15 15 GLY N N 5 109.122 109.122 106.550 2.572 17729
506 1 3 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.285 0.258 17729
507 1 3 . 1 1 15 15 GLY H H 5 8.275 8.275 8.284 -0.009 17729
508 1 3 . 1 1 16 16 VAL N N 6 117.135 117.135 121.240 -4.105 17729
509 1 3 . 1 1 16 16 VAL HA H 6 4.415 4.415 3.938 0.477 17729
510 1 3 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.657 1.116 17729
511 1 3 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.944 -0.114 17729
512 1 3 . 1 1 16 16 VAL H H 6 7.522 7.522 7.700 -0.178 17729
513 1 3 . 1 1 17 17 TYR N N 7 120.317 120.317 115.858 4.459 17729
514 1 3 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.515 -1.134 17729
515 1 3 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.499 0.993 17729
516 1 3 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.791 -1.660 17729
517 1 3 . 1 1 17 17 TYR H H 7 7.929 7.929 8.365 -0.436 17729
518 1 3 . 1 1 18 18 TYR N N 8 117.105 117.105 122.639 -5.534 17729
519 1 3 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.446 -0.120 17729
520 1 3 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.663 -1.772 17729
521 1 3 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.012 1.286 17729
522 1 3 . 1 1 18 18 TYR H H 8 8.646 8.646 9.601 -0.955 17729
523 1 3 . 1 1 19 19 ARG N N 9 122.698 122.698 125.591 -2.893 17729
524 1 3 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.294 0.255 17729
525 1 3 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.838 0.959 17729
526 1 3 . 1 1 19 19 ARG CB C 9 35.578 35.578 33.746 1.832 17729
527 1 3 . 1 1 19 19 ARG H H 9 9.373 9.373 8.534 0.839 17729
528 1 3 . 1 1 20 20 ASN N N 10 122.244 122.244 123.263 -1.019 17729
529 1 3 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.793 0.159 17729
530 1 3 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.412 -1.448 17729
531 1 3 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.567 -2.012 17729
532 1 3 . 1 1 20 20 ASN H H 10 7.651 7.651 7.775 -0.124 17729
533 1 3 . 1 1 21 21 GLU N N 11 118.795 118.795 117.597 1.198 17729
534 1 3 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.923 -0.001 17729
535 1 3 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.920 -0.134 17729
536 1 3 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.904 0.091 17729
537 1 3 . 1 1 21 21 GLU H H 11 8.889 8.889 8.776 0.113 17729
538 1 3 . 1 1 22 22 GLU N N 12 116.576 116.576 118.742 -2.166 17729
539 1 3 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.117 0.005 17729
540 1 3 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.452 -0.222 17729
541 1 3 . 1 1 22 22 GLU CB C 12 29.389 29.389 30.088 -0.699 17729
542 1 3 . 1 1 22 22 GLU H H 12 7.280 7.280 8.368 -1.088 17729
543 1 3 . 1 1 23 23 GLY N N 13 106.901 106.901 107.510 -0.609 17729
544 1 3 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.080 0.056 17729
545 1 3 . 1 1 23 23 GLY H H 13 7.732 7.732 7.636 0.096 17729
546 1 3 . 1 1 24 24 GLN N N 14 121.137 121.137 119.527 1.610 17729
547 1 3 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.423 -0.297 17729
548 1 3 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.993 0.116 17729
549 1 3 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.238 -1.143 17729
550 1 3 . 1 1 24 24 GLN H H 14 7.737 7.737 7.959 -0.222 17729
551 1 3 . 1 1 25 25 THR N N 15 109.710 109.710 109.606 0.104 17729
552 1 3 . 1 1 25 25 THR HA H 15 5.829 5.829 6.034 -0.205 17729
553 1 3 . 1 1 25 25 THR CA C 15 60.280 60.280 60.479 -0.199 17729
554 1 3 . 1 1 25 25 THR CB C 15 73.126 73.126 71.723 1.403 17729
555 1 3 . 1 1 25 25 THR H H 15 8.351 8.351 8.447 -0.096 17729
556 1 3 . 1 1 26 26 TRP N N 16 122.132 122.132 123.386 -1.254 17729
557 1 3 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.189 0.086 17729
558 1 3 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.592 0.046 17729
559 1 3 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.376 -0.110 17729
560 1 3 . 1 1 26 26 TRP H H 16 9.480 9.480 8.933 0.547 17729
561 1 3 . 1 1 27 27 SER N N 17 124.023 124.023 123.182 0.841 17729
562 1 3 . 1 1 27 27 SER HA H 17 4.231 4.231 4.917 -0.686 17729
563 1 3 . 1 1 27 27 SER CA C 17 59.522 59.522 59.477 0.045 17729
564 1 3 . 1 1 27 27 SER CB C 17 64.161 64.161 63.813 0.348 17729
565 1 3 . 1 1 27 27 SER H H 17 8.802 8.802 9.038 -0.236 17729
566 1 3 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.378 -0.150 17729
567 1 3 . 1 1 29 29 VAL N N 19 117.282 117.282 115.055 2.227 17729
568 1 3 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.637 -0.838 17729
569 1 3 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.121 1.603 17729
570 1 3 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.461 0.795 17729
571 1 3 . 1 1 29 29 VAL H H 19 6.540 6.540 7.519 -0.979 17729
572 1 3 . 1 1 30 30 GLY N N 20 111.415 111.415 109.790 1.625 17729
573 1 3 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.399 -0.781 17729
574 1 3 . 1 1 30 30 GLY H H 20 8.348 8.348 8.702 -0.354 17729
575 1 3 . 1 1 31 31 ARG N N 21 118.607 118.607 120.583 -1.976 17729
576 1 3 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.928 -0.330 17729
577 1 3 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.236 0.184 17729
578 1 3 . 1 1 31 31 ARG H H 21 6.840 6.840 8.531 -1.691 17729
579 1 3 . 1 1 32 32 GLN N N 22 119.299 119.299 117.578 1.721 17729
580 1 3 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.555 -0.853 17729
581 1 3 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.445 0.335 17729
582 1 3 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.022 -2.852 17729
583 1 3 . 1 1 32 32 GLN H H 22 6.214 6.214 8.058 -1.844 17729
584 1 3 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.248 0.139 17729
585 1 3 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.934 -1.420 17729
586 1 3 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.186 -0.004 17729
587 1 3 . 1 1 34 34 ARG N N 24 123.469 123.469 119.907 3.562 17729
588 1 3 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.906 -0.424 17729
589 1 3 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.690 1.174 17729
590 1 3 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.643 -0.165 17729
591 1 3 . 1 1 34 34 ARG H H 24 9.154 9.154 8.604 0.550 17729
592 1 3 . 1 1 35 35 TRP N N 25 113.687 113.687 116.564 -2.877 17729
593 1 3 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.738 -0.644 17729
594 1 3 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.870 1.703 17729
595 1 3 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.778 -1.753 17729
596 1 3 . 1 1 35 35 TRP H H 25 7.813 7.813 7.628 0.185 17729
597 1 3 . 1 1 36 36 LEU N N 26 125.176 125.176 122.853 2.323 17729
598 1 3 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.605 -0.321 17729
599 1 3 . 1 1 36 36 LEU CA C 26 56.386 56.386 58.316 -1.930 17729
600 1 3 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.822 -0.514 17729
601 1 3 . 1 1 36 36 LEU H H 26 5.622 5.622 7.267 -1.645 17729
602 1 3 . 1 1 37 37 LYS N N 27 119.347 119.347 117.014 2.333 17729
603 1 3 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.939 -0.473 17729
604 1 3 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.031 0.646 17729
605 1 3 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.722 -0.145 17729
606 1 3 . 1 1 37 37 LYS H H 27 7.264 7.264 8.097 -0.833 17729
607 1 3 . 1 1 38 38 GLU N N 28 116.166 116.166 120.171 -4.005 17729
608 1 3 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.071 -0.333 17729
609 1 3 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.963 0.182 17729
610 1 3 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.981 0.199 17729
611 1 3 . 1 1 38 38 GLU H H 28 8.355 8.355 7.991 0.364 17729
612 1 3 . 1 1 39 39 ALA N N 29 122.540 122.540 120.722 1.818 17729
613 1 3 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.183 0.004 17729
614 1 3 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.578 0.786 17729
615 1 3 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.662 -0.157 17729
616 1 3 . 1 1 39 39 ALA H H 29 7.220 7.220 7.715 -0.495 17729
617 1 3 . 1 1 40 40 LEU N N 30 119.110 119.110 120.573 -1.463 17729
618 1 3 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.394 -0.177 17729
619 1 3 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.619 -0.367 17729
620 1 3 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.569 -2.376 17729
621 1 3 . 1 1 40 40 LEU H H 30 8.143 8.143 7.693 0.450 17729
622 1 3 . 1 1 41 41 LEU N N 31 121.655 121.655 117.509 4.146 17729
623 1 3 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.197 -0.155 17729
624 1 3 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.445 -0.198 17729
625 1 3 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.125 0.535 17729
626 1 3 . 1 1 41 41 LEU H H 31 7.754 7.754 8.446 -0.692 17729
627 1 3 . 1 1 42 42 ASN N N 32 116.379 116.379 118.253 -1.874 17729
628 1 3 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.667 0.079 17729
629 1 3 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.338 -0.286 17729
630 1 3 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.115 1.122 17729
631 1 3 . 1 1 42 42 ASN H H 32 7.475 7.475 7.813 -0.338 17729
632 1 3 . 1 1 43 43 GLY N N 33 106.130 106.130 106.902 -0.772 17729
633 1 3 . 1 1 43 43 GLY CA C 33 45.811 45.811 45.279 0.532 17729
634 1 3 . 1 1 43 43 GLY H H 33 7.674 7.674 7.767 -0.093 17729
635 1 3 . 1 1 44 44 MET N N 34 118.621 118.621 116.038 2.583 17729
636 1 3 . 1 1 44 44 MET HA H 34 4.527 4.527 4.968 -0.441 17729
637 1 3 . 1 1 44 44 MET CA C 34 55.077 55.077 54.301 0.776 17729
638 1 3 . 1 1 44 44 MET CB C 34 32.646 32.646 35.565 -2.919 17729
639 1 3 . 1 1 44 44 MET H H 34 7.731 7.731 7.453 0.278 17729
640 1 3 . 1 1 45 45 LYS N N 35 117.415 117.415 120.444 -3.029 17729
641 1 3 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.614 0.059 17729
642 1 3 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.690 -1.573 17729
643 1 3 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.338 1.499 17729
644 1 3 . 1 1 45 45 LYS H H 35 8.594 8.594 8.427 0.167 17729
645 1 3 . 1 1 46 46 LYS N N 36 122.938 122.938 121.089 1.849 17729
646 1 3 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.279 0.537 17729
647 1 3 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.605 2.714 17729
648 1 3 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.544 0.689 17729
649 1 3 . 1 1 46 46 LYS H H 36 9.050 9.050 8.775 0.275 17729
650 1 3 . 1 1 47 47 GLU N N 37 114.163 114.163 119.180 -5.017 17729
651 1 3 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.047 0.002 17729
652 1 3 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.472 0.266 17729
653 1 3 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.663 -0.133 17729
654 1 3 . 1 1 47 47 GLU H H 37 9.129 9.129 8.611 0.518 17729
655 1 3 . 1 1 48 48 ASP N N 38 119.868 119.868 119.259 0.609 17729
656 1 3 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.349 -0.147 17729
657 1 3 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.178 -0.278 17729
658 1 3 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.327 -1.147 17729
659 1 3 . 1 1 48 48 ASP H H 38 7.829 7.829 7.725 0.104 17729
660 1 3 . 1 1 49 49 PHE N N 39 116.115 116.115 112.988 3.127 17729
661 1 3 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.956 -0.211 17729
662 1 3 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.156 2.308 17729
663 1 3 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.136 2.260 17729
664 1 3 . 1 1 49 49 PHE H H 39 7.909 7.909 6.832 1.077 17729
665 1 3 . 1 1 50 50 LEU N N 40 122.224 122.224 124.031 -1.807 17729
666 1 3 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.247 -0.351 17729
667 1 3 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.208 1.989 17729
668 1 3 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.096 1.494 17729
669 1 3 . 1 1 50 50 LEU H H 40 6.974 6.974 7.470 -0.496 17729
670 1 3 . 1 1 51 51 VAL N N 41 127.077 127.077 126.279 0.798 17729
671 1 3 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.242 -0.380 17729
672 1 3 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.194 1.545 17729
673 1 3 . 1 1 51 51 VAL CB C 41 33.333 33.333 35.046 -1.713 17729
674 1 3 . 1 1 51 51 VAL H H 41 8.648 8.648 8.422 0.226 17729
675 1 3 . 1 1 52 52 LYS N N 42 123.896 123.896 124.076 -0.180 17729
676 1 3 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.296 0.091 17729
677 1 3 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.116 1.225 17729
678 1 3 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.239 -0.426 17729
679 1 3 . 1 1 52 52 LYS H H 42 8.077 8.077 8.199 -0.122 17729
680 1 3 . 1 1 53 53 ASP N N 43 122.944 122.944 118.891 4.053 17729
681 1 3 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.153 0.381 17729
682 1 3 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.643 -2.316 17729
683 1 3 . 1 1 53 53 ASP CB C 43 41.138 41.138 40.953 0.185 17729
684 1 3 . 1 1 53 53 ASP H H 43 8.332 8.332 8.168 0.164 17729
685 1 3 . 1 1 54 54 THR N N 44 113.734 113.734 113.396 0.338 17729
686 1 3 . 1 1 54 54 THR HA H 44 4.184 4.184 4.449 -0.265 17729
687 1 3 . 1 1 54 54 THR CA C 44 61.564 61.564 61.371 0.193 17729
688 1 3 . 1 1 54 54 THR CB C 44 69.719 69.719 70.618 -0.899 17729
689 1 3 . 1 1 54 54 THR H H 44 7.950 7.950 7.415 0.535 17729
690 1 3 . 1 1 55 55 GLU N N 45 122.650 122.650 116.849 5.801 17729
691 1 3 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.922 0.241 17729
692 1 3 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.302 -0.875 17729
693 1 3 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.016 2.161 17729
694 1 3 . 1 1 55 55 GLU H H 45 8.289 8.289 8.793 -0.504 17729
695 1 3 . 1 1 56 56 GLU N N 46 121.892 121.892 118.400 3.492 17729
696 1 3 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.489 -0.344 17729
697 1 3 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.538 0.818 17729
698 1 3 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.423 0.019 17729
699 1 3 . 1 1 56 56 GLU H H 46 8.192 8.192 8.261 -0.069 17729
700 1 4 . 1 1 7 7 HIS N N -3 120.845 120.845 110.360 10.485 17729
701 1 4 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.354 0.178 17729
702 1 4 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.840 -1.317 17729
703 1 4 . 1 1 7 7 HIS CB C -3 29.612 29.612 26.789 2.823 17729
704 1 4 . 1 1 7 7 HIS H H -3 8.599 8.599 8.508 0.091 17729
705 1 4 . 1 1 8 8 SER N N -2 117.754 117.754 116.233 1.521 17729
706 1 4 . 1 1 8 8 SER HA H -2 4.295 4.295 4.340 -0.045 17729
707 1 4 . 1 1 8 8 SER CA C -2 58.301 58.301 59.088 -0.787 17729
708 1 4 . 1 1 8 8 SER CB C -2 63.759 63.759 64.535 -0.776 17729
709 1 4 . 1 1 8 8 SER H H -2 8.407 8.407 7.589 0.818 17729
710 1 4 . 1 1 9 9 MET N N -1 122.201 122.201 120.091 2.110 17729
711 1 4 . 1 1 9 9 MET HA H -1 4.371 4.371 4.132 0.239 17729
712 1 4 . 1 1 9 9 MET CA C -1 55.513 55.513 56.363 -0.850 17729
713 1 4 . 1 1 9 9 MET CB C -1 32.610 32.610 32.141 0.469 17729
714 1 4 . 1 1 9 9 MET H H -1 8.467 8.467 8.069 0.398 17729
715 1 4 . 1 1 10 10 GLY N N 0 109.518 109.518 109.420 0.098 17729
716 1 4 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.928 0.438 17729
717 1 4 . 1 1 10 10 GLY H H 0 8.303 8.303 8.320 -0.017 17729
718 1 4 . 1 1 11 11 ASN N N 1 118.803 118.803 121.880 -3.077 17729
719 1 4 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.876 -0.270 17729
720 1 4 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.672 -0.416 17729
721 1 4 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.038 -1.145 17729
722 1 4 . 1 1 11 11 ASN H H 1 8.275 8.275 8.493 -0.218 17729
723 1 4 . 1 1 12 12 SER N N 2 115.840 115.840 118.459 -2.619 17729
724 1 4 . 1 1 12 12 SER HA H 2 4.310 4.310 4.551 -0.241 17729
725 1 4 . 1 1 12 12 SER CA C 2 58.559 58.559 58.257 0.302 17729
726 1 4 . 1 1 12 12 SER CB C 2 63.659 63.659 64.628 -0.969 17729
727 1 4 . 1 1 12 12 SER H H 2 8.224 8.224 8.544 -0.320 17729
728 1 4 . 1 1 13 13 SER N N 3 117.557 117.557 116.575 0.982 17729
729 1 4 . 1 1 13 13 SER HA H 3 4.304 4.304 4.482 -0.178 17729
730 1 4 . 1 1 13 13 SER CA C 3 58.541 58.541 58.697 -0.156 17729
731 1 4 . 1 1 13 13 SER CB C 3 63.661 63.661 63.426 0.235 17729
732 1 4 . 1 1 13 13 SER H H 3 8.228 8.228 8.258 -0.030 17729
733 1 4 . 1 1 14 14 LYS N N 4 122.301 122.301 120.677 1.624 17729
734 1 4 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.491 -0.310 17729
735 1 4 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.331 1.152 17729
736 1 4 . 1 1 14 14 LYS CB C 4 32.782 32.782 34.953 -2.171 17729
737 1 4 . 1 1 14 14 LYS H H 4 8.192 8.192 7.445 0.747 17729
738 1 4 . 1 1 15 15 GLY N N 5 109.122 109.122 110.402 -1.280 17729
739 1 4 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.611 -0.068 17729
740 1 4 . 1 1 15 15 GLY H H 5 8.275 8.275 8.578 -0.303 17729
741 1 4 . 1 1 16 16 VAL N N 6 117.135 117.135 126.267 -9.132 17729
742 1 4 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.195 0.220 17729
743 1 4 . 1 1 16 16 VAL CA C 6 60.773 60.773 61.102 -0.329 17729
744 1 4 . 1 1 16 16 VAL CB C 6 33.830 33.830 32.925 0.905 17729
745 1 4 . 1 1 16 16 VAL H H 6 7.522 7.522 7.835 -0.313 17729
746 1 4 . 1 1 17 17 TYR N N 7 120.317 120.317 123.243 -2.926 17729
747 1 4 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.350 -0.969 17729
748 1 4 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.275 1.217 17729
749 1 4 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.358 -1.227 17729
750 1 4 . 1 1 17 17 TYR H H 7 7.929 7.929 7.383 0.546 17729
751 1 4 . 1 1 18 18 TYR N N 8 117.105 117.105 117.577 -0.472 17729
752 1 4 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.109 0.217 17729
753 1 4 . 1 1 18 18 TYR CA C 8 56.891 56.891 57.415 -0.524 17729
754 1 4 . 1 1 18 18 TYR CB C 8 41.298 41.298 42.679 -1.381 17729
755 1 4 . 1 1 18 18 TYR H H 8 8.646 8.646 9.391 -0.745 17729
756 1 4 . 1 1 19 19 ARG N N 9 122.698 122.698 122.462 0.236 17729
757 1 4 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.487 0.062 17729
758 1 4 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.609 0.188 17729
759 1 4 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.949 0.629 17729
760 1 4 . 1 1 19 19 ARG H H 9 9.373 9.373 8.759 0.614 17729
761 1 4 . 1 1 20 20 ASN N N 10 122.244 122.244 123.071 -0.827 17729
762 1 4 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.772 0.180 17729
763 1 4 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.581 -1.617 17729
764 1 4 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.474 -1.919 17729
765 1 4 . 1 1 20 20 ASN H H 10 7.651 7.651 7.793 -0.142 17729
766 1 4 . 1 1 21 21 GLU N N 11 118.795 118.795 118.292 0.503 17729
767 1 4 . 1 1 21 21 GLU HA H 11 3.922 3.922 4.003 -0.081 17729
768 1 4 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.178 -0.392 17729
769 1 4 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.821 0.174 17729
770 1 4 . 1 1 21 21 GLU H H 11 8.889 8.889 8.824 0.065 17729
771 1 4 . 1 1 22 22 GLU N N 12 116.576 116.576 118.551 -1.975 17729
772 1 4 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.088 0.034 17729
773 1 4 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.267 -0.037 17729
774 1 4 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.741 -0.352 17729
775 1 4 . 1 1 22 22 GLU H H 12 7.280 7.280 8.314 -1.034 17729
776 1 4 . 1 1 23 23 GLY N N 13 106.901 106.901 106.947 -0.046 17729
777 1 4 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.015 0.120 17729
778 1 4 . 1 1 23 23 GLY H H 13 7.732 7.732 7.861 -0.129 17729
779 1 4 . 1 1 24 24 GLN N N 14 121.137 121.137 119.343 1.794 17729
780 1 4 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.241 -0.115 17729
781 1 4 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.908 0.201 17729
782 1 4 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.519 -0.424 17729
783 1 4 . 1 1 24 24 GLN H H 14 7.737 7.737 7.893 -0.156 17729
784 1 4 . 1 1 25 25 THR N N 15 109.710 109.710 111.515 -1.805 17729
785 1 4 . 1 1 25 25 THR HA H 15 5.829 5.829 5.901 -0.072 17729
786 1 4 . 1 1 25 25 THR CA C 15 60.280 60.280 60.208 0.072 17729
787 1 4 . 1 1 25 25 THR CB C 15 73.126 73.126 71.205 1.921 17729
788 1 4 . 1 1 25 25 THR H H 15 8.351 8.351 8.377 -0.026 17729
789 1 4 . 1 1 26 26 TRP N N 16 122.132 122.132 126.157 -4.025 17729
790 1 4 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.266 0.009 17729
791 1 4 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.108 0.530 17729
792 1 4 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.383 -0.117 17729
793 1 4 . 1 1 26 26 TRP H H 16 9.480 9.480 9.426 0.054 17729
794 1 4 . 1 1 27 27 SER N N 17 124.023 124.023 124.248 -0.225 17729
795 1 4 . 1 1 27 27 SER HA H 17 4.231 4.231 4.417 -0.186 17729
796 1 4 . 1 1 27 27 SER CA C 17 59.522 59.522 59.947 -0.425 17729
797 1 4 . 1 1 27 27 SER CB C 17 64.161 64.161 63.479 0.682 17729
798 1 4 . 1 1 27 27 SER H H 17 8.802 8.802 8.928 -0.126 17729
799 1 4 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.182 0.046 17729
800 1 4 . 1 1 29 29 VAL N N 19 117.282 117.282 119.461 -2.179 17729
801 1 4 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.276 -0.477 17729
802 1 4 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.204 -0.480 17729
803 1 4 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.715 0.541 17729
804 1 4 . 1 1 29 29 VAL H H 19 6.540 6.540 7.332 -0.792 17729
805 1 4 . 1 1 30 30 GLY N N 20 111.415 111.415 114.910 -3.495 17729
806 1 4 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.927 -1.309 17729
807 1 4 . 1 1 30 30 GLY H H 20 8.348 8.348 8.498 -0.150 17729
808 1 4 . 1 1 31 31 ARG N N 21 118.607 118.607 123.182 -4.575 17729
809 1 4 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.527 -0.929 17729
810 1 4 . 1 1 31 31 ARG CA C 21 57.420 57.420 55.223 2.197 17729
811 1 4 . 1 1 31 31 ARG H H 21 6.840 6.840 8.478 -1.638 17729
812 1 4 . 1 1 32 32 GLN N N 22 119.299 119.299 118.475 0.824 17729
813 1 4 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.363 -0.661 17729
814 1 4 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.302 0.478 17729
815 1 4 . 1 1 32 32 GLN CB C 22 27.170 27.170 28.935 -1.765 17729
816 1 4 . 1 1 32 32 GLN H H 22 6.214 6.214 8.182 -1.968 17729
817 1 4 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.109 0.278 17729
818 1 4 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.612 -1.098 17729
819 1 4 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.831 0.351 17729
820 1 4 . 1 1 34 34 ARG N N 24 123.469 123.469 119.472 3.997 17729
821 1 4 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.881 -0.399 17729
822 1 4 . 1 1 34 34 ARG CA C 24 59.864 59.864 60.226 -0.362 17729
823 1 4 . 1 1 34 34 ARG CB C 24 29.478 29.478 30.114 -0.636 17729
824 1 4 . 1 1 34 34 ARG H H 24 9.154 9.154 8.657 0.497 17729
825 1 4 . 1 1 35 35 TRP N N 25 113.687 113.687 116.484 -2.797 17729
826 1 4 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.439 -0.345 17729
827 1 4 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.466 1.107 17729
828 1 4 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.794 -0.769 17729
829 1 4 . 1 1 35 35 TRP H H 25 7.813 7.813 7.955 -0.142 17729
830 1 4 . 1 1 36 36 LEU N N 26 125.176 125.176 123.425 1.751 17729
831 1 4 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.897 -0.613 17729
832 1 4 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.431 -1.045 17729
833 1 4 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.747 -0.439 17729
834 1 4 . 1 1 36 36 LEU H H 26 5.622 5.622 6.779 -1.157 17729
835 1 4 . 1 1 37 37 LYS N N 27 119.347 119.347 119.583 -0.236 17729
836 1 4 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.896 -0.430 17729
837 1 4 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.723 -0.046 17729
838 1 4 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.199 -0.622 17729
839 1 4 . 1 1 37 37 LYS H H 27 7.264 7.264 7.261 0.003 17729
840 1 4 . 1 1 38 38 GLU N N 28 116.166 116.166 118.317 -2.151 17729
841 1 4 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.086 -0.348 17729
842 1 4 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.755 0.390 17729
843 1 4 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.089 0.091 17729
844 1 4 . 1 1 38 38 GLU H H 28 8.355 8.355 8.001 0.354 17729
845 1 4 . 1 1 39 39 ALA N N 29 122.540 122.540 120.308 2.232 17729
846 1 4 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.157 0.030 17729
847 1 4 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.607 0.757 17729
848 1 4 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.870 -0.365 17729
849 1 4 . 1 1 39 39 ALA H H 29 7.220 7.220 7.839 -0.619 17729
850 1 4 . 1 1 40 40 LEU N N 30 119.110 119.110 120.995 -1.885 17729
851 1 4 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.700 -0.483 17729
852 1 4 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.787 -0.535 17729
853 1 4 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.545 -2.352 17729
854 1 4 . 1 1 40 40 LEU H H 30 8.143 8.143 8.035 0.108 17729
855 1 4 . 1 1 41 41 LEU N N 31 121.655 121.655 114.558 7.097 17729
856 1 4 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.239 -0.197 17729
857 1 4 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.753 0.494 17729
858 1 4 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.000 0.660 17729
859 1 4 . 1 1 41 41 LEU H H 31 7.754 7.754 7.932 -0.178 17729
860 1 4 . 1 1 42 42 ASN N N 32 116.379 116.379 117.396 -1.017 17729
861 1 4 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.649 0.097 17729
862 1 4 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.930 -0.878 17729
863 1 4 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.950 0.287 17729
864 1 4 . 1 1 42 42 ASN H H 32 7.475 7.475 7.537 -0.062 17729
865 1 4 . 1 1 43 43 GLY N N 33 106.130 106.130 107.502 -1.372 17729
866 1 4 . 1 1 43 43 GLY CA C 33 45.811 45.811 45.048 0.763 17729
867 1 4 . 1 1 43 43 GLY H H 33 7.674 7.674 7.786 -0.112 17729
868 1 4 . 1 1 44 44 MET N N 34 118.621 118.621 115.059 3.562 17729
869 1 4 . 1 1 44 44 MET HA H 34 4.527 4.527 5.032 -0.505 17729
870 1 4 . 1 1 44 44 MET CA C 34 55.077 55.077 54.149 0.928 17729
871 1 4 . 1 1 44 44 MET CB C 34 32.646 32.646 35.916 -3.269 17729
872 1 4 . 1 1 44 44 MET H H 34 7.731 7.731 7.514 0.217 17729
873 1 4 . 1 1 45 45 LYS N N 35 117.415 117.415 121.184 -3.769 17729
874 1 4 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.476 0.197 17729
875 1 4 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.498 -2.381 17729
876 1 4 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.040 1.797 17729
877 1 4 . 1 1 45 45 LYS H H 35 8.594 8.594 9.035 -0.441 17729
878 1 4 . 1 1 46 46 LYS N N 36 122.938 122.938 121.207 1.731 17729
879 1 4 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.188 0.628 17729
880 1 4 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.635 2.684 17729
881 1 4 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.725 0.508 17729
882 1 4 . 1 1 46 46 LYS H H 36 9.050 9.050 8.831 0.219 17729
883 1 4 . 1 1 47 47 GLU N N 37 114.163 114.163 118.703 -4.540 17729
884 1 4 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.097 -0.048 17729
885 1 4 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.875 0.863 17729
886 1 4 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.513 0.017 17729
887 1 4 . 1 1 47 47 GLU H H 37 9.129 9.129 8.687 0.442 17729
888 1 4 . 1 1 48 48 ASP N N 38 119.868 119.868 119.249 0.619 17729
889 1 4 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.114 0.088 17729
890 1 4 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.346 -0.446 17729
891 1 4 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.495 -1.315 17729
892 1 4 . 1 1 48 48 ASP H H 38 7.829 7.829 7.814 0.015 17729
893 1 4 . 1 1 49 49 PHE N N 39 116.115 116.115 113.164 2.951 17729
894 1 4 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.990 -0.245 17729
895 1 4 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.183 2.281 17729
896 1 4 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.800 2.596 17729
897 1 4 . 1 1 49 49 PHE H H 39 7.909 7.909 7.034 0.875 17729
898 1 4 . 1 1 50 50 LEU N N 40 122.224 122.224 123.213 -0.989 17729
899 1 4 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.235 -0.339 17729
900 1 4 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.164 2.033 17729
901 1 4 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.393 1.197 17729
902 1 4 . 1 1 50 50 LEU H H 40 6.974 6.974 7.468 -0.494 17729
903 1 4 . 1 1 51 51 VAL N N 41 127.077 127.077 127.643 -0.566 17729
904 1 4 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.236 -0.374 17729
905 1 4 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.366 1.373 17729
906 1 4 . 1 1 51 51 VAL CB C 41 33.333 33.333 33.197 0.136 17729
907 1 4 . 1 1 51 51 VAL H H 41 8.648 8.648 8.091 0.557 17729
908 1 4 . 1 1 52 52 LYS N N 42 123.896 123.896 127.705 -3.809 17729
909 1 4 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.074 0.313 17729
910 1 4 . 1 1 52 52 LYS CA C 42 55.341 55.341 55.398 -0.056 17729
911 1 4 . 1 1 52 52 LYS CB C 42 33.813 33.813 32.980 0.833 17729
912 1 4 . 1 1 52 52 LYS H H 42 8.077 8.077 8.229 -0.152 17729
913 1 4 . 1 1 53 53 ASP N N 43 122.944 122.944 118.655 4.289 17729
914 1 4 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.542 -0.008 17729
915 1 4 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.302 -1.975 17729
916 1 4 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.414 -0.276 17729
917 1 4 . 1 1 53 53 ASP H H 43 8.332 8.332 8.344 -0.012 17729
918 1 4 . 1 1 54 54 THR N N 44 113.734 113.734 112.491 1.243 17729
919 1 4 . 1 1 54 54 THR HA H 44 4.184 4.184 4.513 -0.329 17729
920 1 4 . 1 1 54 54 THR CA C 44 61.564 61.564 61.327 0.237 17729
921 1 4 . 1 1 54 54 THR CB C 44 69.719 69.719 70.457 -0.738 17729
922 1 4 . 1 1 54 54 THR H H 44 7.950 7.950 7.637 0.313 17729
923 1 4 . 1 1 55 55 GLU N N 45 122.650 122.650 120.559 2.091 17729
924 1 4 . 1 1 55 55 GLU HA H 45 4.163 4.163 4.011 0.152 17729
925 1 4 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.374 -0.947 17729
926 1 4 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.593 1.584 17729
927 1 4 . 1 1 55 55 GLU H H 45 8.289 8.289 8.675 -0.386 17729
928 1 4 . 1 1 56 56 GLU N N 46 121.892 121.892 118.284 3.608 17729
929 1 4 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.271 -0.126 17729
930 1 4 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.118 0.237 17729
931 1 4 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.416 0.026 17729
932 1 4 . 1 1 56 56 GLU H H 46 8.192 8.192 8.078 0.114 17729
933 1 5 . 1 1 7 7 HIS N N -3 120.845 120.845 126.919 -6.074 17729
934 1 5 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.577 -0.045 17729
935 1 5 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.254 0.269 17729
936 1 5 . 1 1 7 7 HIS CB C -3 29.612 29.612 32.821 -3.209 17729
937 1 5 . 1 1 7 7 HIS H H -3 8.599 8.599 8.157 0.442 17729
938 1 5 . 1 1 8 8 SER N N -2 117.754 117.754 121.341 -3.587 17729
939 1 5 . 1 1 8 8 SER HA H -2 4.295 4.295 4.120 0.175 17729
940 1 5 . 1 1 8 8 SER CA C -2 58.301 58.301 60.312 -2.011 17729
941 1 5 . 1 1 8 8 SER CB C -2 63.759 63.759 63.504 0.255 17729
942 1 5 . 1 1 8 8 SER H H -2 8.407 8.407 8.324 0.083 17729
943 1 5 . 1 1 9 9 MET N N -1 122.201 122.201 116.370 5.831 17729
944 1 5 . 1 1 9 9 MET HA H -1 4.371 4.371 4.658 -0.287 17729
945 1 5 . 1 1 9 9 MET CA C -1 55.513 55.513 54.807 0.706 17729
946 1 5 . 1 1 9 9 MET CB C -1 32.610 32.610 34.467 -1.857 17729
947 1 5 . 1 1 9 9 MET H H -1 8.467 8.467 7.493 0.974 17729
948 1 5 . 1 1 10 10 GLY N N 0 109.518 109.518 108.211 1.307 17729
949 1 5 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.905 0.462 17729
950 1 5 . 1 1 10 10 GLY H H 0 8.303 8.303 8.306 -0.003 17729
951 1 5 . 1 1 11 11 ASN N N 1 118.803 118.803 121.848 -3.045 17729
952 1 5 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.806 -0.200 17729
953 1 5 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.701 0.555 17729
954 1 5 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.768 -0.874 17729
955 1 5 . 1 1 11 11 ASN H H 1 8.275 8.275 8.417 -0.142 17729
956 1 5 . 1 1 12 12 SER N N 2 115.840 115.840 117.170 -1.330 17729
957 1 5 . 1 1 12 12 SER HA H 2 4.310 4.310 4.511 -0.201 17729
958 1 5 . 1 1 12 12 SER CA C 2 58.559 58.559 58.548 0.011 17729
959 1 5 . 1 1 12 12 SER CB C 2 63.659 63.659 63.764 -0.105 17729
960 1 5 . 1 1 12 12 SER H H 2 8.224 8.224 8.567 -0.343 17729
961 1 5 . 1 1 13 13 SER N N 3 117.557 117.557 118.465 -0.908 17729
962 1 5 . 1 1 13 13 SER HA H 3 4.304 4.304 4.285 0.019 17729
963 1 5 . 1 1 13 13 SER CA C 3 58.541 58.541 58.898 -0.357 17729
964 1 5 . 1 1 13 13 SER CB C 3 63.661 63.661 64.197 -0.536 17729
965 1 5 . 1 1 13 13 SER H H 3 8.228 8.228 7.931 0.297 17729
966 1 5 . 1 1 14 14 LYS N N 4 122.301 122.301 122.181 0.120 17729
967 1 5 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.066 0.115 17729
968 1 5 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.483 0.000 17729
969 1 5 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.193 0.589 17729
970 1 5 . 1 1 14 14 LYS H H 4 8.192 8.192 8.134 0.058 17729
971 1 5 . 1 1 15 15 GLY N N 5 109.122 109.122 106.762 2.360 17729
972 1 5 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.038 0.506 17729
973 1 5 . 1 1 15 15 GLY H H 5 8.275 8.275 8.174 0.101 17729
974 1 5 . 1 1 16 16 VAL N N 6 117.135 117.135 119.797 -2.662 17729
975 1 5 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.265 0.150 17729
976 1 5 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.535 1.238 17729
977 1 5 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.085 -0.255 17729
978 1 5 . 1 1 16 16 VAL H H 6 7.522 7.522 7.300 0.222 17729
979 1 5 . 1 1 17 17 TYR N N 7 120.317 120.317 117.273 3.044 17729
980 1 5 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.324 -0.943 17729
981 1 5 . 1 1 17 17 TYR CA C 7 56.492 56.492 56.249 0.243 17729
982 1 5 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.990 -1.859 17729
983 1 5 . 1 1 17 17 TYR H H 7 7.929 7.929 8.439 -0.510 17729
984 1 5 . 1 1 18 18 TYR N N 8 117.105 117.105 123.959 -6.854 17729
985 1 5 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.212 0.114 17729
986 1 5 . 1 1 18 18 TYR CA C 8 56.891 56.891 59.166 -2.275 17729
987 1 5 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.167 1.131 17729
988 1 5 . 1 1 18 18 TYR H H 8 8.646 8.646 9.670 -1.024 17729
989 1 5 . 1 1 19 19 ARG N N 9 122.698 122.698 123.813 -1.115 17729
990 1 5 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.376 0.173 17729
991 1 5 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.962 0.835 17729
992 1 5 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.900 0.678 17729
993 1 5 . 1 1 19 19 ARG H H 9 9.373 9.373 8.251 1.122 17729
994 1 5 . 1 1 20 20 ASN N N 10 122.244 122.244 119.126 3.118 17729
995 1 5 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.652 0.300 17729
996 1 5 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.585 -1.621 17729
997 1 5 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.449 -1.893 17729
998 1 5 . 1 1 20 20 ASN H H 10 7.651 7.651 7.707 -0.056 17729
999 1 5 . 1 1 21 21 GLU N N 11 118.795 118.795 119.137 -0.342 17729
1000 1 5 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.989 -0.067 17729
1001 1 5 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.962 -0.176 17729
1002 1 5 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.624 0.371 17729
1003 1 5 . 1 1 21 21 GLU H H 11 8.889 8.889 8.461 0.428 17729
1004 1 5 . 1 1 22 22 GLU N N 12 116.576 116.576 118.492 -1.916 17729
1005 1 5 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.073 0.049 17729
1006 1 5 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.261 -0.031 17729
1007 1 5 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.608 -0.219 17729
1008 1 5 . 1 1 22 22 GLU H H 12 7.280 7.280 8.236 -0.956 17729
1009 1 5 . 1 1 23 23 GLY N N 13 106.901 106.901 107.087 -0.186 17729
1010 1 5 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.160 -0.025 17729
1011 1 5 . 1 1 23 23 GLY H H 13 7.732 7.732 7.559 0.173 17729
1012 1 5 . 1 1 24 24 GLN N N 14 121.137 121.137 119.490 1.647 17729
1013 1 5 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.439 -0.313 17729
1014 1 5 . 1 1 24 24 GLN CA C 14 56.109 56.109 56.557 -0.448 17729
1015 1 5 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.960 -0.865 17729
1016 1 5 . 1 1 24 24 GLN H H 14 7.737 7.737 7.777 -0.040 17729
1017 1 5 . 1 1 25 25 THR N N 15 109.710 109.710 110.238 -0.528 17729
1018 1 5 . 1 1 25 25 THR HA H 15 5.829 5.829 6.032 -0.203 17729
1019 1 5 . 1 1 25 25 THR CA C 15 60.280 60.280 60.451 -0.171 17729
1020 1 5 . 1 1 25 25 THR CB C 15 73.126 73.126 71.495 1.631 17729
1021 1 5 . 1 1 25 25 THR H H 15 8.351 8.351 8.410 -0.059 17729
1022 1 5 . 1 1 26 26 TRP N N 16 122.132 122.132 124.929 -2.797 17729
1023 1 5 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.155 0.120 17729
1024 1 5 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.262 0.376 17729
1025 1 5 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.942 0.324 17729
1026 1 5 . 1 1 26 26 TRP H H 16 9.480 9.480 9.132 0.348 17729
1027 1 5 . 1 1 27 27 SER N N 17 124.023 124.023 123.615 0.408 17729
1028 1 5 . 1 1 27 27 SER HA H 17 4.231 4.231 4.654 -0.423 17729
1029 1 5 . 1 1 27 27 SER CA C 17 59.522 59.522 59.826 -0.304 17729
1030 1 5 . 1 1 27 27 SER CB C 17 64.161 64.161 63.663 0.498 17729
1031 1 5 . 1 1 27 27 SER H H 17 8.802 8.802 9.136 -0.334 17729
1032 1 5 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.220 0.008 17729
1033 1 5 . 1 1 29 29 VAL N N 19 117.282 117.282 115.042 2.240 17729
1034 1 5 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.556 -0.757 17729
1035 1 5 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.455 1.270 17729
1036 1 5 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.149 1.107 17729
1037 1 5 . 1 1 29 29 VAL H H 19 6.540 6.540 7.252 -0.712 17729
1038 1 5 . 1 1 30 30 GLY N N 20 111.415 111.415 109.926 1.489 17729
1039 1 5 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.360 -0.742 17729
1040 1 5 . 1 1 30 30 GLY H H 20 8.348 8.348 8.681 -0.333 17729
1041 1 5 . 1 1 31 31 ARG N N 21 118.607 118.607 120.637 -2.030 17729
1042 1 5 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.929 -0.331 17729
1043 1 5 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.252 0.168 17729
1044 1 5 . 1 1 31 31 ARG H H 21 6.840 6.840 8.540 -1.700 17729
1045 1 5 . 1 1 32 32 GLN N N 22 119.299 119.299 117.389 1.910 17729
1046 1 5 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.624 -0.922 17729
1047 1 5 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.463 0.317 17729
1048 1 5 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.916 -2.746 17729
1049 1 5 . 1 1 32 32 GLN H H 22 6.214 6.214 8.053 -1.839 17729
1050 1 5 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.228 0.159 17729
1051 1 5 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.856 -1.342 17729
1052 1 5 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.224 -0.042 17729
1053 1 5 . 1 1 34 34 ARG N N 24 123.469 123.469 119.860 3.609 17729
1054 1 5 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.936 -0.454 17729
1055 1 5 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.802 1.062 17729
1056 1 5 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.628 -0.149 17729
1057 1 5 . 1 1 34 34 ARG H H 24 9.154 9.154 8.669 0.485 17729
1058 1 5 . 1 1 35 35 TRP N N 25 113.687 113.687 116.848 -3.161 17729
1059 1 5 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.614 -0.520 17729
1060 1 5 . 1 1 35 35 TRP CA C 25 58.573 58.573 55.886 2.687 17729
1061 1 5 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.095 -1.070 17729
1062 1 5 . 1 1 35 35 TRP H H 25 7.813 7.813 7.258 0.555 17729
1063 1 5 . 1 1 36 36 LEU N N 26 125.176 125.176 124.341 0.835 17729
1064 1 5 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.766 -0.482 17729
1065 1 5 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.842 -1.456 17729
1066 1 5 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.871 -0.563 17729
1067 1 5 . 1 1 36 36 LEU H H 26 5.622 5.622 7.279 -1.657 17729
1068 1 5 . 1 1 37 37 LYS N N 27 119.347 119.347 116.882 2.465 17729
1069 1 5 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.936 -0.470 17729
1070 1 5 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.392 0.285 17729
1071 1 5 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.593 -0.016 17729
1072 1 5 . 1 1 37 37 LYS H H 27 7.264 7.264 7.478 -0.214 17729
1073 1 5 . 1 1 38 38 GLU N N 28 116.166 116.166 120.130 -3.964 17729
1074 1 5 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.052 -0.314 17729
1075 1 5 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.999 0.146 17729
1076 1 5 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.099 0.081 17729
1077 1 5 . 1 1 38 38 GLU H H 28 8.355 8.355 7.780 0.575 17729
1078 1 5 . 1 1 39 39 ALA N N 29 122.540 122.540 121.112 1.428 17729
1079 1 5 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.147 0.040 17729
1080 1 5 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.653 0.711 17729
1081 1 5 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.442 0.063 17729
1082 1 5 . 1 1 39 39 ALA H H 29 7.220 7.220 7.906 -0.686 17729
1083 1 5 . 1 1 40 40 LEU N N 30 119.110 119.110 120.494 -1.384 17729
1084 1 5 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.683 -0.466 17729
1085 1 5 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.652 -0.400 17729
1086 1 5 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.679 -2.486 17729
1087 1 5 . 1 1 40 40 LEU H H 30 8.143 8.143 7.899 0.244 17729
1088 1 5 . 1 1 41 41 LEU N N 31 121.655 121.655 115.529 6.126 17729
1089 1 5 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.216 -0.174 17729
1090 1 5 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.744 0.503 17729
1091 1 5 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.010 0.650 17729
1092 1 5 . 1 1 41 41 LEU H H 31 7.754 7.754 8.329 -0.575 17729
1093 1 5 . 1 1 42 42 ASN N N 32 116.379 116.379 118.042 -1.663 17729
1094 1 5 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.615 0.131 17729
1095 1 5 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.026 -0.974 17729
1096 1 5 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.382 -0.145 17729
1097 1 5 . 1 1 42 42 ASN H H 32 7.475 7.475 7.888 -0.413 17729
1098 1 5 . 1 1 43 43 GLY N N 33 106.130 106.130 107.789 -1.659 17729
1099 1 5 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.898 0.913 17729
1100 1 5 . 1 1 43 43 GLY H H 33 7.674 7.674 7.847 -0.173 17729
1101 1 5 . 1 1 44 44 MET N N 34 118.621 118.621 115.178 3.443 17729
1102 1 5 . 1 1 44 44 MET HA H 34 4.527 4.527 4.935 -0.408 17729
1103 1 5 . 1 1 44 44 MET CA C 34 55.077 55.077 54.375 0.702 17729
1104 1 5 . 1 1 44 44 MET CB C 34 32.646 32.646 35.963 -3.317 17729
1105 1 5 . 1 1 44 44 MET H H 34 7.731 7.731 7.498 0.233 17729
1106 1 5 . 1 1 45 45 LYS N N 35 117.415 117.415 121.104 -3.689 17729
1107 1 5 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.510 0.163 17729
1108 1 5 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.875 -1.758 17729
1109 1 5 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.284 1.553 17729
1110 1 5 . 1 1 45 45 LYS H H 35 8.594 8.594 8.294 0.300 17729
1111 1 5 . 1 1 46 46 LYS N N 36 122.938 122.938 120.743 2.195 17729
1112 1 5 . 1 1 46 46 LYS HA H 36 3.816 3.816 2.980 0.836 17729
1113 1 5 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.758 2.561 17729
1114 1 5 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.443 0.790 17729
1115 1 5 . 1 1 46 46 LYS H H 36 9.050 9.050 8.698 0.352 17729
1116 1 5 . 1 1 47 47 GLU N N 37 114.163 114.163 119.263 -5.100 17729
1117 1 5 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.182 -0.133 17729
1118 1 5 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.991 0.747 17729
1119 1 5 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.732 -0.202 17729
1120 1 5 . 1 1 47 47 GLU H H 37 9.129 9.129 8.600 0.529 17729
1121 1 5 . 1 1 48 48 ASP N N 38 119.868 119.868 119.136 0.732 17729
1122 1 5 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.417 -0.215 17729
1123 1 5 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.127 -0.227 17729
1124 1 5 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.377 -1.198 17729
1125 1 5 . 1 1 48 48 ASP H H 38 7.829 7.829 7.815 0.014 17729
1126 1 5 . 1 1 49 49 PHE N N 39 116.115 116.115 112.178 3.937 17729
1127 1 5 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.938 -0.193 17729
1128 1 5 . 1 1 49 49 PHE CA C 39 57.464 57.464 54.888 2.576 17729
1129 1 5 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.917 2.479 17729
1130 1 5 . 1 1 49 49 PHE H H 39 7.909 7.909 6.957 0.952 17729
1131 1 5 . 1 1 50 50 LEU N N 40 122.224 122.224 124.144 -1.920 17729
1132 1 5 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.251 -0.355 17729
1133 1 5 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.921 1.276 17729
1134 1 5 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.005 1.585 17729
1135 1 5 . 1 1 50 50 LEU H H 40 6.974 6.974 7.371 -0.397 17729
1136 1 5 . 1 1 51 51 VAL N N 41 127.077 127.077 125.296 1.781 17729
1137 1 5 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.320 -0.458 17729
1138 1 5 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.767 0.972 17729
1139 1 5 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.370 -1.037 17729
1140 1 5 . 1 1 51 51 VAL H H 41 8.648 8.648 8.160 0.488 17729
1141 1 5 . 1 1 52 52 LYS N N 42 123.896 123.896 121.589 2.307 17729
1142 1 5 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.527 -0.140 17729
1143 1 5 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.589 0.752 17729
1144 1 5 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.492 -0.680 17729
1145 1 5 . 1 1 52 52 LYS H H 42 8.077 8.077 8.475 -0.398 17729
1146 1 5 . 1 1 53 53 ASP N N 43 122.944 122.944 120.021 2.923 17729
1147 1 5 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.500 0.034 17729
1148 1 5 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.974 -2.647 17729
1149 1 5 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.236 -0.098 17729
1150 1 5 . 1 1 53 53 ASP H H 43 8.332 8.332 8.454 -0.122 17729
1151 1 5 . 1 1 54 54 THR N N 44 113.734 113.734 115.048 -1.314 17729
1152 1 5 . 1 1 54 54 THR HA H 44 4.184 4.184 4.488 -0.304 17729
1153 1 5 . 1 1 54 54 THR CA C 44 61.564 61.564 62.049 -0.485 17729
1154 1 5 . 1 1 54 54 THR CB C 44 69.719 69.719 70.189 -0.470 17729
1155 1 5 . 1 1 54 54 THR H H 44 7.950 7.950 7.987 -0.037 17729
1156 1 5 . 1 1 55 55 GLU N N 45 122.650 122.650 121.896 0.754 17729
1157 1 5 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.918 0.245 17729
1158 1 5 . 1 1 55 55 GLU CA C 45 56.427 56.427 56.915 -0.488 17729
1159 1 5 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.390 1.787 17729
1160 1 5 . 1 1 55 55 GLU H H 45 8.289 8.289 8.979 -0.690 17729
1161 1 5 . 1 1 56 56 GLU N N 46 121.892 121.892 118.960 2.932 17729
1162 1 5 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.462 -0.317 17729
1163 1 5 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.062 0.293 17729
1164 1 5 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.360 0.082 17729
1165 1 5 . 1 1 56 56 GLU H H 46 8.192 8.192 8.291 -0.099 17729
1166 1 6 . 1 1 7 7 HIS N N -3 120.845 120.845 110.828 10.017 17729
1167 1 6 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.399 0.133 17729
1168 1 6 . 1 1 7 7 HIS CA C -3 55.523 55.523 57.168 -1.645 17729
1169 1 6 . 1 1 7 7 HIS CB C -3 29.612 29.612 26.865 2.747 17729
1170 1 6 . 1 1 7 7 HIS H H -3 8.599 8.599 8.638 -0.039 17729
1171 1 6 . 1 1 8 8 SER N N -2 117.754 117.754 115.255 2.499 17729
1172 1 6 . 1 1 8 8 SER HA H -2 4.295 4.295 4.491 -0.196 17729
1173 1 6 . 1 1 8 8 SER CA C -2 58.301 58.301 58.896 -0.595 17729
1174 1 6 . 1 1 8 8 SER CB C -2 63.759 63.759 64.965 -1.206 17729
1175 1 6 . 1 1 8 8 SER H H -2 8.407 8.407 7.450 0.957 17729
1176 1 6 . 1 1 9 9 MET N N -1 122.201 122.201 119.252 2.949 17729
1177 1 6 . 1 1 9 9 MET HA H -1 4.371 4.371 4.164 0.207 17729
1178 1 6 . 1 1 9 9 MET CA C -1 55.513 55.513 56.594 -1.081 17729
1179 1 6 . 1 1 9 9 MET CB C -1 32.610 32.610 31.922 0.688 17729
1180 1 6 . 1 1 9 9 MET H H -1 8.467 8.467 7.816 0.651 17729
1181 1 6 . 1 1 10 10 GLY N N 0 109.518 109.518 110.028 -0.510 17729
1182 1 6 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.655 0.712 17729
1183 1 6 . 1 1 10 10 GLY H H 0 8.303 8.303 8.450 -0.147 17729
1184 1 6 . 1 1 11 11 ASN N N 1 118.803 118.803 121.807 -3.004 17729
1185 1 6 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.902 -0.296 17729
1186 1 6 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.884 0.372 17729
1187 1 6 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.537 -1.643 17729
1188 1 6 . 1 1 11 11 ASN H H 1 8.275 8.275 8.385 -0.110 17729
1189 1 6 . 1 1 12 12 SER N N 2 115.840 115.840 116.911 -1.071 17729
1190 1 6 . 1 1 12 12 SER HA H 2 4.310 4.310 4.513 -0.203 17729
1191 1 6 . 1 1 12 12 SER CA C 2 58.559 58.559 58.705 -0.146 17729
1192 1 6 . 1 1 12 12 SER CB C 2 63.659 63.659 64.135 -0.476 17729
1193 1 6 . 1 1 12 12 SER H H 2 8.224 8.224 8.553 -0.329 17729
1194 1 6 . 1 1 13 13 SER N N 3 117.557 117.557 118.726 -1.169 17729
1195 1 6 . 1 1 13 13 SER HA H 3 4.304 4.304 4.565 -0.261 17729
1196 1 6 . 1 1 13 13 SER CA C 3 58.541 58.541 58.790 -0.249 17729
1197 1 6 . 1 1 13 13 SER CB C 3 63.661 63.661 62.587 1.074 17729
1198 1 6 . 1 1 13 13 SER H H 3 8.228 8.228 8.379 -0.151 17729
1199 1 6 . 1 1 14 14 LYS N N 4 122.301 122.301 120.433 1.868 17729
1200 1 6 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.487 -0.306 17729
1201 1 6 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.596 0.887 17729
1202 1 6 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.910 -3.128 17729
1203 1 6 . 1 1 14 14 LYS H H 4 8.192 8.192 7.469 0.723 17729
1204 1 6 . 1 1 15 15 GLY N N 5 109.122 109.122 109.931 -0.809 17729
1205 1 6 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.495 0.048 17729
1206 1 6 . 1 1 15 15 GLY H H 5 8.275 8.275 8.478 -0.203 17729
1207 1 6 . 1 1 16 16 VAL N N 6 117.135 117.135 125.777 -8.642 17729
1208 1 6 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.111 0.304 17729
1209 1 6 . 1 1 16 16 VAL CA C 6 60.773 60.773 60.198 0.575 17729
1210 1 6 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.660 0.171 17729
1211 1 6 . 1 1 16 16 VAL H H 6 7.522 7.522 7.636 -0.114 17729
1212 1 6 . 1 1 17 17 TYR N N 7 120.317 120.317 124.092 -3.775 17729
1213 1 6 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.280 -0.899 17729
1214 1 6 . 1 1 17 17 TYR CA C 7 56.492 56.492 54.998 1.494 17729
1215 1 6 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.089 -0.958 17729
1216 1 6 . 1 1 17 17 TYR H H 7 7.929 7.929 8.283 -0.354 17729
1217 1 6 . 1 1 18 18 TYR N N 8 117.105 117.105 119.719 -2.614 17729
1218 1 6 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.003 0.323 17729
1219 1 6 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.846 -1.955 17729
1220 1 6 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.340 0.958 17729
1221 1 6 . 1 1 18 18 TYR H H 8 8.646 8.646 9.463 -0.817 17729
1222 1 6 . 1 1 19 19 ARG N N 9 122.698 122.698 125.682 -2.984 17729
1223 1 6 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.369 0.180 17729
1224 1 6 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.446 0.351 17729
1225 1 6 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.010 1.568 17729
1226 1 6 . 1 1 19 19 ARG H H 9 9.373 9.373 9.004 0.369 17729
1227 1 6 . 1 1 20 20 ASN N N 10 122.244 122.244 123.472 -1.228 17729
1228 1 6 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.633 0.319 17729
1229 1 6 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.166 -1.202 17729
1230 1 6 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.769 -2.214 17729
1231 1 6 . 1 1 20 20 ASN H H 10 7.651 7.651 7.713 -0.062 17729
1232 1 6 . 1 1 21 21 GLU N N 11 118.795 118.795 118.779 0.016 17729
1233 1 6 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.974 -0.052 17729
1234 1 6 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.028 -0.242 17729
1235 1 6 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.338 0.657 17729
1236 1 6 . 1 1 21 21 GLU H H 11 8.889 8.889 8.667 0.222 17729
1237 1 6 . 1 1 22 22 GLU N N 12 116.576 116.576 119.160 -2.584 17729
1238 1 6 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.058 0.064 17729
1239 1 6 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.386 -0.156 17729
1240 1 6 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.978 -0.589 17729
1241 1 6 . 1 1 22 22 GLU H H 12 7.280 7.280 8.184 -0.904 17729
1242 1 6 . 1 1 23 23 GLY N N 13 106.901 106.901 107.230 -0.329 17729
1243 1 6 . 1 1 23 23 GLY CA C 13 45.135 45.135 44.827 0.308 17729
1244 1 6 . 1 1 23 23 GLY H H 13 7.732 7.732 7.838 -0.106 17729
1245 1 6 . 1 1 24 24 GLN N N 14 121.137 121.137 119.771 1.366 17729
1246 1 6 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.236 -0.110 17729
1247 1 6 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.841 0.268 17729
1248 1 6 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.742 -0.647 17729
1249 1 6 . 1 1 24 24 GLN H H 14 7.737 7.737 7.898 -0.161 17729
1250 1 6 . 1 1 25 25 THR N N 15 109.710 109.710 112.452 -2.742 17729
1251 1 6 . 1 1 25 25 THR HA H 15 5.829 5.829 5.809 0.020 17729
1252 1 6 . 1 1 25 25 THR CA C 15 60.280 60.280 60.215 0.065 17729
1253 1 6 . 1 1 25 25 THR CB C 15 73.126 73.126 70.560 2.566 17729
1254 1 6 . 1 1 25 25 THR H H 15 8.351 8.351 8.365 -0.014 17729
1255 1 6 . 1 1 26 26 TRP N N 16 122.132 122.132 127.797 -5.665 17729
1256 1 6 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.264 0.011 17729
1257 1 6 . 1 1 26 26 TRP CA C 16 56.638 56.638 55.706 0.932 17729
1258 1 6 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.797 0.469 17729
1259 1 6 . 1 1 26 26 TRP H H 16 9.480 9.480 9.542 -0.062 17729
1260 1 6 . 1 1 27 27 SER N N 17 124.023 124.023 124.762 -0.739 17729
1261 1 6 . 1 1 27 27 SER HA H 17 4.231 4.231 4.291 -0.060 17729
1262 1 6 . 1 1 27 27 SER CA C 17 59.522 59.522 60.502 -0.980 17729
1263 1 6 . 1 1 27 27 SER CB C 17 64.161 64.161 63.466 0.695 17729
1264 1 6 . 1 1 27 27 SER H H 17 8.802 8.802 9.082 -0.280 17729
1265 1 6 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.125 0.103 17729
1266 1 6 . 1 1 29 29 VAL N N 19 117.282 117.282 114.335 2.947 17729
1267 1 6 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.583 -0.784 17729
1268 1 6 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.626 1.098 17729
1269 1 6 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.898 0.358 17729
1270 1 6 . 1 1 29 29 VAL H H 19 6.540 6.540 7.557 -1.017 17729
1271 1 6 . 1 1 30 30 GLY N N 20 111.415 111.415 112.399 -0.984 17729
1272 1 6 . 1 1 30 30 GLY CA C 20 44.618 44.618 46.145 -1.528 17729
1273 1 6 . 1 1 30 30 GLY H H 20 8.348 8.348 8.687 -0.339 17729
1274 1 6 . 1 1 31 31 ARG N N 21 118.607 118.607 123.225 -4.618 17729
1275 1 6 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.652 -1.054 17729
1276 1 6 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.478 2.942 17729
1277 1 6 . 1 1 31 31 ARG H H 21 6.840 6.840 8.776 -1.936 17729
1278 1 6 . 1 1 32 32 GLN N N 22 119.299 119.299 118.040 1.259 17729
1279 1 6 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.631 -0.929 17729
1280 1 6 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.266 0.514 17729
1281 1 6 . 1 1 32 32 GLN CB C 22 27.170 27.170 28.783 -1.613 17729
1282 1 6 . 1 1 32 32 GLN H H 22 6.214 6.214 8.290 -2.076 17729
1283 1 6 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.210 0.177 17729
1284 1 6 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.983 -1.469 17729
1285 1 6 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.172 0.010 17729
1286 1 6 . 1 1 34 34 ARG N N 24 123.469 123.469 119.291 4.178 17729
1287 1 6 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.897 -0.415 17729
1288 1 6 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.531 0.333 17729
1289 1 6 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.480 -0.002 17729
1290 1 6 . 1 1 34 34 ARG H H 24 9.154 9.154 8.679 0.475 17729
1291 1 6 . 1 1 35 35 TRP N N 25 113.687 113.687 118.273 -4.586 17729
1292 1 6 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.376 -0.282 17729
1293 1 6 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.338 1.235 17729
1294 1 6 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.972 -0.947 17729
1295 1 6 . 1 1 35 35 TRP H H 25 7.813 7.813 7.810 0.003 17729
1296 1 6 . 1 1 36 36 LEU N N 26 125.176 125.176 122.502 2.674 17729
1297 1 6 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.789 -0.505 17729
1298 1 6 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.655 -1.269 17729
1299 1 6 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.454 -0.146 17729
1300 1 6 . 1 1 36 36 LEU H H 26 5.622 5.622 6.811 -1.189 17729
1301 1 6 . 1 1 37 37 LYS N N 27 119.347 119.347 119.083 0.264 17729
1302 1 6 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.828 -0.362 17729
1303 1 6 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.577 0.100 17729
1304 1 6 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.159 -0.582 17729
1305 1 6 . 1 1 37 37 LYS H H 27 7.264 7.264 7.420 -0.156 17729
1306 1 6 . 1 1 38 38 GLU N N 28 116.166 116.166 118.590 -2.424 17729
1307 1 6 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.025 -0.287 17729
1308 1 6 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.869 0.276 17729
1309 1 6 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.015 0.165 17729
1310 1 6 . 1 1 38 38 GLU H H 28 8.355 8.355 8.126 0.229 17729
1311 1 6 . 1 1 39 39 ALA N N 29 122.540 122.540 121.236 1.304 17729
1312 1 6 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.087 0.100 17729
1313 1 6 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.788 0.576 17729
1314 1 6 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.620 -0.115 17729
1315 1 6 . 1 1 39 39 ALA H H 29 7.220 7.220 8.049 -0.829 17729
1316 1 6 . 1 1 40 40 LEU N N 30 119.110 119.110 120.762 -1.652 17729
1317 1 6 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.726 -0.509 17729
1318 1 6 . 1 1 40 40 LEU CA C 30 57.252 57.252 58.067 -0.815 17729
1319 1 6 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.595 -2.402 17729
1320 1 6 . 1 1 40 40 LEU H H 30 8.143 8.143 7.889 0.254 17729
1321 1 6 . 1 1 41 41 LEU N N 31 121.655 121.655 113.927 7.728 17729
1322 1 6 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.245 -0.203 17729
1323 1 6 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.755 0.492 17729
1324 1 6 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.047 0.613 17729
1325 1 6 . 1 1 41 41 LEU H H 31 7.754 7.754 8.112 -0.358 17729
1326 1 6 . 1 1 42 42 ASN N N 32 116.379 116.379 117.438 -1.059 17729
1327 1 6 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.658 0.088 17729
1328 1 6 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.972 -0.921 17729
1329 1 6 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.236 0.001 17729
1330 1 6 . 1 1 42 42 ASN H H 32 7.475 7.475 7.600 -0.125 17729
1331 1 6 . 1 1 43 43 GLY N N 33 106.130 106.130 107.651 -1.521 17729
1332 1 6 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.991 0.820 17729
1333 1 6 . 1 1 43 43 GLY H H 33 7.674 7.674 7.764 -0.090 17729
1334 1 6 . 1 1 44 44 MET N N 34 118.621 118.621 115.369 3.252 17729
1335 1 6 . 1 1 44 44 MET HA H 34 4.527 4.527 5.013 -0.486 17729
1336 1 6 . 1 1 44 44 MET CA C 34 55.077 55.077 54.439 0.638 17729
1337 1 6 . 1 1 44 44 MET CB C 34 32.646 32.646 36.068 -3.422 17729
1338 1 6 . 1 1 44 44 MET H H 34 7.731 7.731 7.549 0.182 17729
1339 1 6 . 1 1 45 45 LYS N N 35 117.415 117.415 121.413 -3.998 17729
1340 1 6 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.433 0.240 17729
1341 1 6 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.347 -2.230 17729
1342 1 6 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.191 1.646 17729
1343 1 6 . 1 1 45 45 LYS H H 35 8.594 8.594 8.839 -0.245 17729
1344 1 6 . 1 1 46 46 LYS N N 36 122.938 122.938 121.463 1.475 17729
1345 1 6 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.227 0.589 17729
1346 1 6 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.875 2.444 17729
1347 1 6 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.407 0.827 17729
1348 1 6 . 1 1 46 46 LYS H H 36 9.050 9.050 8.837 0.213 17729
1349 1 6 . 1 1 47 47 GLU N N 37 114.163 114.163 118.336 -4.173 17729
1350 1 6 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.080 -0.031 17729
1351 1 6 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.779 0.959 17729
1352 1 6 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.531 -0.001 17729
1353 1 6 . 1 1 47 47 GLU H H 37 9.129 9.129 8.689 0.440 17729
1354 1 6 . 1 1 48 48 ASP N N 38 119.868 119.868 118.678 1.190 17729
1355 1 6 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.740 -0.538 17729
1356 1 6 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.373 0.527 17729
1357 1 6 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.209 -1.029 17729
1358 1 6 . 1 1 48 48 ASP H H 38 7.829 7.829 7.740 0.089 17729
1359 1 6 . 1 1 49 49 PHE N N 39 116.115 116.115 112.424 3.691 17729
1360 1 6 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.718 0.027 17729
1361 1 6 . 1 1 49 49 PHE CA C 39 57.464 57.464 54.911 2.553 17729
1362 1 6 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.436 1.960 17729
1363 1 6 . 1 1 49 49 PHE H H 39 7.909 7.909 7.013 0.896 17729
1364 1 6 . 1 1 50 50 LEU N N 40 122.224 122.224 122.965 -0.741 17729
1365 1 6 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.382 -0.486 17729
1366 1 6 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.118 2.079 17729
1367 1 6 . 1 1 50 50 LEU CB C 40 43.590 43.590 43.162 0.428 17729
1368 1 6 . 1 1 50 50 LEU H H 40 6.974 6.974 7.489 -0.515 17729
1369 1 6 . 1 1 51 51 VAL N N 41 127.077 127.077 125.656 1.421 17729
1370 1 6 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.442 -0.580 17729
1371 1 6 . 1 1 51 51 VAL CA C 41 61.739 61.739 59.216 2.523 17729
1372 1 6 . 1 1 51 51 VAL CB C 41 33.333 33.333 35.232 -1.899 17729
1373 1 6 . 1 1 51 51 VAL H H 41 8.648 8.648 8.420 0.228 17729
1374 1 6 . 1 1 52 52 LYS N N 42 123.896 123.896 125.764 -1.868 17729
1375 1 6 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.589 -0.202 17729
1376 1 6 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.931 1.410 17729
1377 1 6 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.609 -0.796 17729
1378 1 6 . 1 1 52 52 LYS H H 42 8.077 8.077 8.047 0.030 17729
1379 1 6 . 1 1 53 53 ASP N N 43 122.944 122.944 118.869 4.075 17729
1380 1 6 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.350 0.184 17729
1381 1 6 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.441 -2.114 17729
1382 1 6 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.329 -0.191 17729
1383 1 6 . 1 1 53 53 ASP H H 43 8.332 8.332 8.211 0.121 17729
1384 1 6 . 1 1 54 54 THR N N 44 113.734 113.734 111.711 2.023 17729
1385 1 6 . 1 1 54 54 THR HA H 44 4.184 4.184 4.410 -0.226 17729
1386 1 6 . 1 1 54 54 THR CA C 44 61.564 61.564 61.727 -0.163 17729
1387 1 6 . 1 1 54 54 THR CB C 44 69.719 69.719 70.245 -0.526 17729
1388 1 6 . 1 1 54 54 THR H H 44 7.950 7.950 7.730 0.220 17729
1389 1 6 . 1 1 55 55 GLU N N 45 122.650 122.650 120.448 2.202 17729
1390 1 6 . 1 1 55 55 GLU HA H 45 4.163 4.163 4.050 0.113 17729
1391 1 6 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.189 -0.762 17729
1392 1 6 . 1 1 55 55 GLU CB C 45 30.177 30.177 29.007 1.170 17729
1393 1 6 . 1 1 55 55 GLU H H 45 8.289 8.289 8.609 -0.320 17729
1394 1 6 . 1 1 56 56 GLU N N 46 121.892 121.892 118.050 3.842 17729
1395 1 6 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.419 -0.274 17729
1396 1 6 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.752 0.603 17729
1397 1 6 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.105 0.337 17729
1398 1 6 . 1 1 56 56 GLU H H 46 8.192 8.192 8.333 -0.141 17729
1399 1 7 . 1 1 7 7 HIS N N -3 120.845 120.845 125.410 -4.565 17729
1400 1 7 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.607 -0.075 17729
1401 1 7 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.739 -0.216 17729
1402 1 7 . 1 1 7 7 HIS CB C -3 29.612 29.612 31.563 -1.951 17729
1403 1 7 . 1 1 7 7 HIS H H -3 8.599 8.599 8.435 0.164 17729
1404 1 7 . 1 1 8 8 SER N N -2 117.754 117.754 121.882 -4.128 17729
1405 1 7 . 1 1 8 8 SER HA H -2 4.295 4.295 4.315 -0.020 17729
1406 1 7 . 1 1 8 8 SER CA C -2 58.301 58.301 60.455 -2.154 17729
1407 1 7 . 1 1 8 8 SER CB C -2 63.759 63.759 63.843 -0.083 17729
1408 1 7 . 1 1 8 8 SER H H -2 8.407 8.407 8.564 -0.157 17729
1409 1 7 . 1 1 9 9 MET N N -1 122.201 122.201 114.016 8.185 17729
1410 1 7 . 1 1 9 9 MET HA H -1 4.371 4.371 4.664 -0.293 17729
1411 1 7 . 1 1 9 9 MET CA C -1 55.513 55.513 55.300 0.214 17729
1412 1 7 . 1 1 9 9 MET CB C -1 32.610 32.610 35.082 -2.472 17729
1413 1 7 . 1 1 9 9 MET H H -1 8.467 8.467 7.554 0.913 17729
1414 1 7 . 1 1 10 10 GLY N N 0 109.518 109.518 107.444 2.074 17729
1415 1 7 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.072 0.295 17729
1416 1 7 . 1 1 10 10 GLY H H 0 8.303 8.303 8.378 -0.075 17729
1417 1 7 . 1 1 11 11 ASN N N 1 118.803 118.803 119.780 -0.977 17729
1418 1 7 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.843 -0.237 17729
1419 1 7 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.202 0.054 17729
1420 1 7 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.124 -1.230 17729
1421 1 7 . 1 1 11 11 ASN H H 1 8.275 8.275 7.957 0.318 17729
1422 1 7 . 1 1 12 12 SER N N 2 115.840 115.840 115.788 0.052 17729
1423 1 7 . 1 1 12 12 SER HA H 2 4.310 4.310 4.448 -0.138 17729
1424 1 7 . 1 1 12 12 SER CA C 2 58.559 58.559 58.554 0.005 17729
1425 1 7 . 1 1 12 12 SER CB C 2 63.659 63.659 63.043 0.616 17729
1426 1 7 . 1 1 12 12 SER H H 2 8.224 8.224 8.145 0.079 17729
1427 1 7 . 1 1 13 13 SER N N 3 117.557 117.557 117.827 -0.270 17729
1428 1 7 . 1 1 13 13 SER HA H 3 4.304 4.304 4.278 0.026 17729
1429 1 7 . 1 1 13 13 SER CA C 3 58.541 58.541 58.694 -0.153 17729
1430 1 7 . 1 1 13 13 SER CB C 3 63.661 63.661 63.502 0.159 17729
1431 1 7 . 1 1 13 13 SER H H 3 8.228 8.228 7.566 0.662 17729
1432 1 7 . 1 1 14 14 LYS N N 4 122.301 122.301 125.446 -3.145 17729
1433 1 7 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.179 0.002 17729
1434 1 7 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.780 -0.297 17729
1435 1 7 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.659 0.123 17729
1436 1 7 . 1 1 14 14 LYS H H 4 8.192 8.192 8.141 0.051 17729
1437 1 7 . 1 1 15 15 GLY N N 5 109.122 109.122 106.847 2.275 17729
1438 1 7 . 1 1 15 15 GLY CA C 5 45.543 45.543 44.657 0.885 17729
1439 1 7 . 1 1 15 15 GLY H H 5 8.275 8.275 8.436 -0.161 17729
1440 1 7 . 1 1 16 16 VAL N N 6 117.135 117.135 119.743 -2.608 17729
1441 1 7 . 1 1 16 16 VAL HA H 6 4.415 4.415 3.971 0.444 17729
1442 1 7 . 1 1 16 16 VAL CA C 6 60.773 60.773 60.013 0.760 17729
1443 1 7 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.849 -0.019 17729
1444 1 7 . 1 1 16 16 VAL H H 6 7.522 7.522 7.365 0.157 17729
1445 1 7 . 1 1 17 17 TYR N N 7 120.317 120.317 118.553 1.764 17729
1446 1 7 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.486 -1.105 17729
1447 1 7 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.839 0.653 17729
1448 1 7 . 1 1 17 17 TYR CB C 7 39.131 39.131 42.352 -3.221 17729
1449 1 7 . 1 1 17 17 TYR H H 7 7.929 7.929 8.661 -0.732 17729
1450 1 7 . 1 1 18 18 TYR N N 8 117.105 117.105 121.822 -4.717 17729
1451 1 7 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.295 0.031 17729
1452 1 7 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.461 -1.570 17729
1453 1 7 . 1 1 18 18 TYR CB C 8 41.298 41.298 39.891 1.407 17729
1454 1 7 . 1 1 18 18 TYR H H 8 8.646 8.646 9.421 -0.775 17729
1455 1 7 . 1 1 19 19 ARG N N 9 122.698 122.698 125.167 -2.469 17729
1456 1 7 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.364 0.185 17729
1457 1 7 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.056 0.741 17729
1458 1 7 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.395 1.183 17729
1459 1 7 . 1 1 19 19 ARG H H 9 9.373 9.373 8.334 1.039 17729
1460 1 7 . 1 1 20 20 ASN N N 10 122.244 122.244 120.990 1.254 17729
1461 1 7 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.650 0.302 17729
1462 1 7 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.475 -1.511 17729
1463 1 7 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.819 -2.264 17729
1464 1 7 . 1 1 20 20 ASN H H 10 7.651 7.651 7.736 -0.085 17729
1465 1 7 . 1 1 21 21 GLU N N 11 118.795 118.795 119.654 -0.859 17729
1466 1 7 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.897 0.025 17729
1467 1 7 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.973 -0.187 17729
1468 1 7 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.709 0.286 17729
1469 1 7 . 1 1 21 21 GLU H H 11 8.889 8.889 8.584 0.305 17729
1470 1 7 . 1 1 22 22 GLU N N 12 116.576 116.576 119.076 -2.500 17729
1471 1 7 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.032 0.090 17729
1472 1 7 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.336 -0.106 17729
1473 1 7 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.886 -0.496 17729
1474 1 7 . 1 1 22 22 GLU H H 12 7.280 7.280 8.104 -0.824 17729
1475 1 7 . 1 1 23 23 GLY N N 13 106.901 106.901 107.303 -0.402 17729
1476 1 7 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.228 -0.093 17729
1477 1 7 . 1 1 23 23 GLY H H 13 7.732 7.732 7.767 -0.035 17729
1478 1 7 . 1 1 24 24 GLN N N 14 121.137 121.137 118.864 2.273 17729
1479 1 7 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.447 -0.321 17729
1480 1 7 . 1 1 24 24 GLN CA C 14 56.109 56.109 56.004 0.105 17729
1481 1 7 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.871 -0.776 17729
1482 1 7 . 1 1 24 24 GLN H H 14 7.737 7.737 7.689 0.048 17729
1483 1 7 . 1 1 25 25 THR N N 15 109.710 109.710 110.601 -0.891 17729
1484 1 7 . 1 1 25 25 THR HA H 15 5.829 5.829 5.838 -0.009 17729
1485 1 7 . 1 1 25 25 THR CA C 15 60.280 60.280 60.738 -0.458 17729
1486 1 7 . 1 1 25 25 THR CB C 15 73.126 73.126 71.144 1.982 17729
1487 1 7 . 1 1 25 25 THR H H 15 8.351 8.351 8.409 -0.058 17729
1488 1 7 . 1 1 26 26 TRP N N 16 122.132 122.132 127.262 -5.130 17729
1489 1 7 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.271 0.004 17729
1490 1 7 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.245 0.393 17729
1491 1 7 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.064 0.202 17729
1492 1 7 . 1 1 26 26 TRP H H 16 9.480 9.480 9.020 0.460 17729
1493 1 7 . 1 1 27 27 SER N N 17 124.023 124.023 122.815 1.208 17729
1494 1 7 . 1 1 27 27 SER HA H 17 4.231 4.231 4.555 -0.324 17729
1495 1 7 . 1 1 27 27 SER CA C 17 59.522 59.522 60.340 -0.818 17729
1496 1 7 . 1 1 27 27 SER CB C 17 64.161 64.161 63.851 0.310 17729
1497 1 7 . 1 1 27 27 SER H H 17 8.802 8.802 9.017 -0.215 17729
1498 1 7 . 1 1 28 28 GLY CA C 18 44.228 44.228 43.998 0.230 17729
1499 1 7 . 1 1 29 29 VAL N N 19 117.282 117.282 121.323 -4.041 17729
1500 1 7 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.311 -0.512 17729
1501 1 7 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.499 -0.775 17729
1502 1 7 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.111 1.145 17729
1503 1 7 . 1 1 29 29 VAL H H 19 6.540 6.540 7.650 -1.110 17729
1504 1 7 . 1 1 30 30 GLY N N 20 111.415 111.415 111.580 -0.165 17729
1505 1 7 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.569 0.049 17729
1506 1 7 . 1 1 30 30 GLY H H 20 8.348 8.348 8.604 -0.256 17729
1507 1 7 . 1 1 31 31 ARG N N 21 118.607 118.607 119.360 -0.753 17729
1508 1 7 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.960 -0.362 17729
1509 1 7 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.360 0.060 17729
1510 1 7 . 1 1 31 31 ARG H H 21 6.840 6.840 8.441 -1.601 17729
1511 1 7 . 1 1 32 32 GLN N N 22 119.299 119.299 116.880 2.419 17729
1512 1 7 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.454 -0.752 17729
1513 1 7 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.327 0.453 17729
1514 1 7 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.820 -2.650 17729
1515 1 7 . 1 1 32 32 GLN H H 22 6.214 6.214 8.020 -1.806 17729
1516 1 7 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.137 0.250 17729
1517 1 7 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.721 -1.208 17729
1518 1 7 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.699 0.483 17729
1519 1 7 . 1 1 34 34 ARG N N 24 123.469 123.469 120.275 3.194 17729
1520 1 7 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.912 -0.430 17729
1521 1 7 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.918 0.946 17729
1522 1 7 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.688 -0.210 17729
1523 1 7 . 1 1 34 34 ARG H H 24 9.154 9.154 8.664 0.490 17729
1524 1 7 . 1 1 35 35 TRP N N 25 113.687 113.687 117.008 -3.321 17729
1525 1 7 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.575 -0.481 17729
1526 1 7 . 1 1 35 35 TRP CA C 25 58.573 58.573 55.929 2.644 17729
1527 1 7 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.224 -1.199 17729
1528 1 7 . 1 1 35 35 TRP H H 25 7.813 7.813 7.170 0.643 17729
1529 1 7 . 1 1 36 36 LEU N N 26 125.176 125.176 124.064 1.112 17729
1530 1 7 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.954 -0.670 17729
1531 1 7 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.888 -1.502 17729
1532 1 7 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.013 -0.705 17729
1533 1 7 . 1 1 36 36 LEU H H 26 5.622 5.622 7.418 -1.796 17729
1534 1 7 . 1 1 37 37 LYS N N 27 119.347 119.347 117.787 1.560 17729
1535 1 7 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.917 -0.451 17729
1536 1 7 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.390 0.287 17729
1537 1 7 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.677 -0.100 17729
1538 1 7 . 1 1 37 37 LYS H H 27 7.264 7.264 7.617 -0.353 17729
1539 1 7 . 1 1 38 38 GLU N N 28 116.166 116.166 119.941 -3.775 17729
1540 1 7 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.047 -0.309 17729
1541 1 7 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.998 0.147 17729
1542 1 7 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.945 0.235 17729
1543 1 7 . 1 1 38 38 GLU H H 28 8.355 8.355 7.841 0.514 17729
1544 1 7 . 1 1 39 39 ALA N N 29 122.540 122.540 120.236 2.304 17729
1545 1 7 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.179 0.008 17729
1546 1 7 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.450 0.914 17729
1547 1 7 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.827 -0.322 17729
1548 1 7 . 1 1 39 39 ALA H H 29 7.220 7.220 7.539 -0.319 17729
1549 1 7 . 1 1 40 40 LEU N N 30 119.110 119.110 121.093 -1.983 17729
1550 1 7 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.631 -0.414 17729
1551 1 7 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.861 -0.609 17729
1552 1 7 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.647 -2.454 17729
1553 1 7 . 1 1 40 40 LEU H H 30 8.143 8.143 7.906 0.237 17729
1554 1 7 . 1 1 41 41 LEU N N 31 121.655 121.655 117.127 4.528 17729
1555 1 7 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.117 -0.075 17729
1556 1 7 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.351 -0.104 17729
1557 1 7 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.161 0.499 17729
1558 1 7 . 1 1 41 41 LEU H H 31 7.754 7.754 8.484 -0.730 17729
1559 1 7 . 1 1 42 42 ASN N N 32 116.379 116.379 117.169 -0.790 17729
1560 1 7 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.597 0.149 17729
1561 1 7 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.804 -0.752 17729
1562 1 7 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.937 0.300 17729
1563 1 7 . 1 1 42 42 ASN H H 32 7.475 7.475 7.799 -0.324 17729
1564 1 7 . 1 1 43 43 GLY N N 33 106.130 106.130 108.026 -1.896 17729
1565 1 7 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.781 1.030 17729
1566 1 7 . 1 1 43 43 GLY H H 33 7.674 7.674 7.983 -0.309 17729
1567 1 7 . 1 1 44 44 MET N N 34 118.621 118.621 117.048 1.573 17729
1568 1 7 . 1 1 44 44 MET HA H 34 4.527 4.527 4.976 -0.449 17729
1569 1 7 . 1 1 44 44 MET CA C 34 55.077 55.077 54.365 0.712 17729
1570 1 7 . 1 1 44 44 MET CB C 34 32.646 32.646 35.942 -3.296 17729
1571 1 7 . 1 1 44 44 MET H H 34 7.731 7.731 7.441 0.290 17729
1572 1 7 . 1 1 45 45 LYS N N 35 117.415 117.415 120.572 -3.157 17729
1573 1 7 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.424 0.249 17729
1574 1 7 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.058 -1.941 17729
1575 1 7 . 1 1 45 45 LYS CB C 35 34.837 34.837 32.996 1.841 17729
1576 1 7 . 1 1 45 45 LYS H H 35 8.594 8.594 8.806 -0.212 17729
1577 1 7 . 1 1 46 46 LYS N N 36 122.938 122.938 121.506 1.432 17729
1578 1 7 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.055 0.761 17729
1579 1 7 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.593 2.726 17729
1580 1 7 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.251 0.982 17729
1581 1 7 . 1 1 46 46 LYS H H 36 9.050 9.050 8.752 0.298 17729
1582 1 7 . 1 1 47 47 GLU N N 37 114.163 114.163 119.632 -5.469 17729
1583 1 7 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.166 -0.117 17729
1584 1 7 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.318 0.420 17729
1585 1 7 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.700 -0.170 17729
1586 1 7 . 1 1 47 47 GLU H H 37 9.129 9.129 8.587 0.542 17729
1587 1 7 . 1 1 48 48 ASP N N 38 119.868 119.868 118.983 0.885 17729
1588 1 7 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.440 -0.238 17729
1589 1 7 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.905 -0.005 17729
1590 1 7 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.444 -1.264 17729
1591 1 7 . 1 1 48 48 ASP H H 38 7.829 7.829 7.783 0.046 17729
1592 1 7 . 1 1 49 49 PHE N N 39 116.115 116.115 111.747 4.368 17729
1593 1 7 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.962 -0.217 17729
1594 1 7 . 1 1 49 49 PHE CA C 39 57.464 57.464 54.977 2.487 17729
1595 1 7 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.102 2.294 17729
1596 1 7 . 1 1 49 49 PHE H H 39 7.909 7.909 7.024 0.885 17729
1597 1 7 . 1 1 50 50 LEU N N 40 122.224 122.224 123.867 -1.643 17729
1598 1 7 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.409 -0.513 17729
1599 1 7 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.979 1.218 17729
1600 1 7 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.553 1.037 17729
1601 1 7 . 1 1 50 50 LEU H H 40 6.974 6.974 7.468 -0.494 17729
1602 1 7 . 1 1 51 51 VAL N N 41 127.077 127.077 127.085 -0.008 17729
1603 1 7 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.346 -0.484 17729
1604 1 7 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.882 0.857 17729
1605 1 7 . 1 1 51 51 VAL CB C 41 33.333 33.333 36.287 -2.954 17729
1606 1 7 . 1 1 51 51 VAL H H 41 8.648 8.648 8.976 -0.328 17729
1607 1 7 . 1 1 52 52 LYS N N 42 123.896 123.896 123.095 0.801 17729
1608 1 7 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.527 -0.140 17729
1609 1 7 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.502 0.839 17729
1610 1 7 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.335 -0.522 17729
1611 1 7 . 1 1 52 52 LYS H H 42 8.077 8.077 8.276 -0.199 17729
1612 1 7 . 1 1 53 53 ASP N N 43 122.944 122.944 119.294 3.650 17729
1613 1 7 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.527 0.007 17729
1614 1 7 . 1 1 53 53 ASP CA C 43 54.327 54.327 57.015 -2.688 17729
1615 1 7 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.250 -0.112 17729
1616 1 7 . 1 1 53 53 ASP H H 43 8.332 8.332 8.365 -0.033 17729
1617 1 7 . 1 1 54 54 THR N N 44 113.734 113.734 112.930 0.804 17729
1618 1 7 . 1 1 54 54 THR HA H 44 4.184 4.184 4.322 -0.138 17729
1619 1 7 . 1 1 54 54 THR CA C 44 61.564 61.564 61.965 -0.401 17729
1620 1 7 . 1 1 54 54 THR CB C 44 69.719 69.719 69.659 0.060 17729
1621 1 7 . 1 1 54 54 THR H H 44 7.950 7.950 7.800 0.150 17729
1622 1 7 . 1 1 55 55 GLU N N 45 122.650 122.650 120.049 2.601 17729
1623 1 7 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.965 0.198 17729
1624 1 7 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.234 -0.807 17729
1625 1 7 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.710 2.467 17729
1626 1 7 . 1 1 55 55 GLU H H 45 8.289 8.289 8.714 -0.425 17729
1627 1 7 . 1 1 56 56 GLU N N 46 121.892 121.892 118.132 3.760 17729
1628 1 7 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.445 -0.300 17729
1629 1 7 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.492 0.863 17729
1630 1 7 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.468 -0.026 17729
1631 1 7 . 1 1 56 56 GLU H H 46 8.192 8.192 8.128 0.064 17729
1632 1 8 . 1 1 7 7 HIS N N -3 120.845 120.845 109.989 10.856 17729
1633 1 8 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.194 0.338 17729
1634 1 8 . 1 1 7 7 HIS CA C -3 55.523 55.523 57.007 -1.484 17729
1635 1 8 . 1 1 7 7 HIS CB C -3 29.612 29.612 27.149 2.462 17729
1636 1 8 . 1 1 7 7 HIS H H -3 8.599 8.599 8.587 0.012 17729
1637 1 8 . 1 1 8 8 SER N N -2 117.754 117.754 114.499 3.255 17729
1638 1 8 . 1 1 8 8 SER HA H -2 4.295 4.295 4.460 -0.165 17729
1639 1 8 . 1 1 8 8 SER CA C -2 58.301 58.301 58.838 -0.537 17729
1640 1 8 . 1 1 8 8 SER CB C -2 63.759 63.759 64.742 -0.983 17729
1641 1 8 . 1 1 8 8 SER H H -2 8.407 8.407 7.381 1.026 17729
1642 1 8 . 1 1 9 9 MET N N -1 122.201 122.201 119.653 2.548 17729
1643 1 8 . 1 1 9 9 MET HA H -1 4.371 4.371 4.139 0.232 17729
1644 1 8 . 1 1 9 9 MET CA C -1 55.513 55.513 56.237 -0.724 17729
1645 1 8 . 1 1 9 9 MET CB C -1 32.610 32.610 32.215 0.395 17729
1646 1 8 . 1 1 9 9 MET H H -1 8.467 8.467 7.995 0.472 17729
1647 1 8 . 1 1 10 10 GLY N N 0 109.518 109.518 109.741 -0.223 17729
1648 1 8 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.997 0.370 17729
1649 1 8 . 1 1 10 10 GLY H H 0 8.303 8.303 8.446 -0.143 17729
1650 1 8 . 1 1 11 11 ASN N N 1 118.803 118.803 122.113 -3.310 17729
1651 1 8 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.786 -0.180 17729
1652 1 8 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.634 -0.378 17729
1653 1 8 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.951 -1.057 17729
1654 1 8 . 1 1 11 11 ASN H H 1 8.275 8.275 8.539 -0.264 17729
1655 1 8 . 1 1 12 12 SER N N 2 115.840 115.840 118.459 -2.619 17729
1656 1 8 . 1 1 12 12 SER HA H 2 4.310 4.310 4.465 -0.155 17729
1657 1 8 . 1 1 12 12 SER CA C 2 58.559 58.559 58.381 0.178 17729
1658 1 8 . 1 1 12 12 SER CB C 2 63.659 63.659 64.023 -0.364 17729
1659 1 8 . 1 1 12 12 SER H H 2 8.224 8.224 8.313 -0.089 17729
1660 1 8 . 1 1 13 13 SER N N 3 117.557 117.557 117.403 0.154 17729
1661 1 8 . 1 1 13 13 SER HA H 3 4.304 4.304 4.487 -0.183 17729
1662 1 8 . 1 1 13 13 SER CA C 3 58.541 58.541 58.907 -0.366 17729
1663 1 8 . 1 1 13 13 SER CB C 3 63.661 63.661 63.339 0.322 17729
1664 1 8 . 1 1 13 13 SER H H 3 8.228 8.228 8.168 0.060 17729
1665 1 8 . 1 1 14 14 LYS N N 4 122.301 122.301 120.157 2.144 17729
1666 1 8 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.460 -0.279 17729
1667 1 8 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.297 1.187 17729
1668 1 8 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.179 -2.397 17729
1669 1 8 . 1 1 14 14 LYS H H 4 8.192 8.192 7.481 0.711 17729
1670 1 8 . 1 1 15 15 GLY N N 5 109.122 109.122 110.020 -0.898 17729
1671 1 8 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.618 -0.075 17729
1672 1 8 . 1 1 15 15 GLY H H 5 8.275 8.275 8.498 -0.223 17729
1673 1 8 . 1 1 16 16 VAL N N 6 117.135 117.135 126.372 -9.237 17729
1674 1 8 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.003 0.412 17729
1675 1 8 . 1 1 16 16 VAL CA C 6 60.773 60.773 60.458 0.315 17729
1676 1 8 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.415 0.415 17729
1677 1 8 . 1 1 16 16 VAL H H 6 7.522 7.522 7.704 -0.182 17729
1678 1 8 . 1 1 17 17 TYR N N 7 120.317 120.317 124.181 -3.864 17729
1679 1 8 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.508 -1.127 17729
1680 1 8 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.120 1.371 17729
1681 1 8 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.287 -1.156 17729
1682 1 8 . 1 1 17 17 TYR H H 7 7.929 7.929 7.774 0.155 17729
1683 1 8 . 1 1 18 18 TYR N N 8 117.105 117.105 120.414 -3.309 17729
1684 1 8 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.190 0.136 17729
1685 1 8 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.632 -1.741 17729
1686 1 8 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.637 0.661 17729
1687 1 8 . 1 1 18 18 TYR H H 8 8.646 8.646 9.264 -0.618 17729
1688 1 8 . 1 1 19 19 ARG N N 9 122.698 122.698 125.188 -2.490 17729
1689 1 8 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.474 0.075 17729
1690 1 8 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.394 0.403 17729
1691 1 8 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.066 1.512 17729
1692 1 8 . 1 1 19 19 ARG H H 9 9.373 9.373 9.064 0.309 17729
1693 1 8 . 1 1 20 20 ASN N N 10 122.244 122.244 123.395 -1.151 17729
1694 1 8 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.582 0.370 17729
1695 1 8 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.122 -1.158 17729
1696 1 8 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.743 -2.188 17729
1697 1 8 . 1 1 20 20 ASN H H 10 7.651 7.651 7.721 -0.070 17729
1698 1 8 . 1 1 21 21 GLU N N 11 118.795 118.795 119.187 -0.392 17729
1699 1 8 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.956 -0.034 17729
1700 1 8 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.062 -0.276 17729
1701 1 8 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.485 0.510 17729
1702 1 8 . 1 1 21 21 GLU H H 11 8.889 8.889 8.698 0.191 17729
1703 1 8 . 1 1 22 22 GLU N N 12 116.576 116.576 119.209 -2.633 17729
1704 1 8 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.066 0.056 17729
1705 1 8 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.250 -0.020 17729
1706 1 8 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.886 -0.496 17729
1707 1 8 . 1 1 22 22 GLU H H 12 7.280 7.280 8.231 -0.951 17729
1708 1 8 . 1 1 23 23 GLY N N 13 106.901 106.901 107.347 -0.446 17729
1709 1 8 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.036 0.099 17729
1710 1 8 . 1 1 23 23 GLY H H 13 7.732 7.732 7.930 -0.198 17729
1711 1 8 . 1 1 24 24 GLN N N 14 121.137 121.137 119.067 2.070 17729
1712 1 8 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.430 -0.304 17729
1713 1 8 . 1 1 24 24 GLN CA C 14 56.109 56.109 54.199 1.910 17729
1714 1 8 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.613 -1.518 17729
1715 1 8 . 1 1 24 24 GLN H H 14 7.737 7.737 7.493 0.244 17729
1716 1 8 . 1 1 25 25 THR N N 15 109.710 109.710 112.695 -2.985 17729
1717 1 8 . 1 1 25 25 THR HA H 15 5.829 5.829 5.921 -0.092 17729
1718 1 8 . 1 1 25 25 THR CA C 15 60.280 60.280 60.276 0.004 17729
1719 1 8 . 1 1 25 25 THR CB C 15 73.126 73.126 71.020 2.106 17729
1720 1 8 . 1 1 25 25 THR H H 15 8.351 8.351 8.435 -0.084 17729
1721 1 8 . 1 1 26 26 TRP N N 16 122.132 122.132 125.203 -3.071 17729
1722 1 8 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.233 0.042 17729
1723 1 8 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.561 0.077 17729
1724 1 8 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.008 0.258 17729
1725 1 8 . 1 1 26 26 TRP H H 16 9.480 9.480 9.173 0.307 17729
1726 1 8 . 1 1 27 27 SER N N 17 124.023 124.023 125.124 -1.101 17729
1727 1 8 . 1 1 27 27 SER HA H 17 4.231 4.231 4.313 -0.082 17729
1728 1 8 . 1 1 27 27 SER CA C 17 59.522 59.522 60.299 -0.777 17729
1729 1 8 . 1 1 27 27 SER CB C 17 64.161 64.161 63.518 0.643 17729
1730 1 8 . 1 1 27 27 SER H H 17 8.802 8.802 9.024 -0.222 17729
1731 1 8 . 1 1 28 28 GLY CA C 18 44.228 44.228 43.804 0.424 17729
1732 1 8 . 1 1 29 29 VAL N N 19 117.282 117.282 115.026 2.256 17729
1733 1 8 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.481 -0.682 17729
1734 1 8 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.681 1.043 17729
1735 1 8 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.439 0.817 17729
1736 1 8 . 1 1 29 29 VAL H H 19 6.540 6.540 7.301 -0.761 17729
1737 1 8 . 1 1 30 30 GLY N N 20 111.415 111.415 112.619 -1.204 17729
1738 1 8 . 1 1 30 30 GLY CA C 20 44.618 44.618 46.428 -1.810 17729
1739 1 8 . 1 1 30 30 GLY H H 20 8.348 8.348 8.597 -0.249 17729
1740 1 8 . 1 1 31 31 ARG N N 21 118.607 118.607 122.623 -4.016 17729
1741 1 8 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.532 -0.934 17729
1742 1 8 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.991 2.429 17729
1743 1 8 . 1 1 31 31 ARG H H 21 6.840 6.840 8.742 -1.902 17729
1744 1 8 . 1 1 32 32 GLN N N 22 119.299 119.299 117.429 1.870 17729
1745 1 8 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.810 -1.108 17729
1746 1 8 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.383 0.397 17729
1747 1 8 . 1 1 32 32 GLN CB C 22 27.170 27.170 28.280 -1.110 17729
1748 1 8 . 1 1 32 32 GLN H H 22 6.214 6.214 8.262 -2.048 17729
1749 1 8 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.254 0.133 17729
1750 1 8 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.820 -1.306 17729
1751 1 8 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.618 -0.436 17729
1752 1 8 . 1 1 34 34 ARG N N 24 123.469 123.469 121.496 1.973 17729
1753 1 8 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.851 -0.369 17729
1754 1 8 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.970 0.894 17729
1755 1 8 . 1 1 34 34 ARG CB C 24 29.478 29.478 28.943 0.535 17729
1756 1 8 . 1 1 34 34 ARG H H 24 9.154 9.154 8.650 0.504 17729
1757 1 8 . 1 1 35 35 TRP N N 25 113.687 113.687 117.285 -3.598 17729
1758 1 8 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.493 -0.399 17729
1759 1 8 . 1 1 35 35 TRP CA C 25 58.573 58.573 58.290 0.283 17729
1760 1 8 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.434 -1.409 17729
1761 1 8 . 1 1 35 35 TRP H H 25 7.813 7.813 8.065 -0.252 17729
1762 1 8 . 1 1 36 36 LEU N N 26 125.176 125.176 123.692 1.484 17729
1763 1 8 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.706 -0.422 17729
1764 1 8 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.539 -1.153 17729
1765 1 8 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.578 -0.270 17729
1766 1 8 . 1 1 36 36 LEU H H 26 5.622 5.622 7.190 -1.568 17729
1767 1 8 . 1 1 37 37 LYS N N 27 119.347 119.347 119.373 -0.026 17729
1768 1 8 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.811 -0.345 17729
1769 1 8 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.790 -0.113 17729
1770 1 8 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.166 -0.589 17729
1771 1 8 . 1 1 37 37 LYS H H 27 7.264 7.264 7.321 -0.057 17729
1772 1 8 . 1 1 38 38 GLU N N 28 116.166 116.166 118.770 -2.604 17729
1773 1 8 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.024 -0.286 17729
1774 1 8 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.960 0.185 17729
1775 1 8 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.134 0.046 17729
1776 1 8 . 1 1 38 38 GLU H H 28 8.355 8.355 7.886 0.469 17729
1777 1 8 . 1 1 39 39 ALA N N 29 122.540 122.540 121.380 1.160 17729
1778 1 8 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.107 0.080 17729
1779 1 8 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.898 0.466 17729
1780 1 8 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.580 -0.075 17729
1781 1 8 . 1 1 39 39 ALA H H 29 7.220 7.220 8.275 -1.055 17729
1782 1 8 . 1 1 40 40 LEU N N 30 119.110 119.110 120.799 -1.689 17729
1783 1 8 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.724 -0.507 17729
1784 1 8 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.645 -0.393 17729
1785 1 8 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.432 -2.239 17729
1786 1 8 . 1 1 40 40 LEU H H 30 8.143 8.143 7.869 0.274 17729
1787 1 8 . 1 1 41 41 LEU N N 31 121.655 121.655 114.995 6.660 17729
1788 1 8 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.224 -0.182 17729
1789 1 8 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.858 0.389 17729
1790 1 8 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.226 0.434 17729
1791 1 8 . 1 1 41 41 LEU H H 31 7.754 7.754 8.187 -0.433 17729
1792 1 8 . 1 1 42 42 ASN N N 32 116.379 116.379 117.393 -1.014 17729
1793 1 8 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.612 0.134 17729
1794 1 8 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.956 -0.904 17729
1795 1 8 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.230 0.007 17729
1796 1 8 . 1 1 42 42 ASN H H 32 7.475 7.475 7.847 -0.372 17729
1797 1 8 . 1 1 43 43 GLY N N 33 106.130 106.130 107.476 -1.346 17729
1798 1 8 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.842 0.969 17729
1799 1 8 . 1 1 43 43 GLY H H 33 7.674 7.674 7.774 -0.100 17729
1800 1 8 . 1 1 44 44 MET N N 34 118.621 118.621 116.999 1.622 17729
1801 1 8 . 1 1 44 44 MET HA H 34 4.527 4.527 4.999 -0.472 17729
1802 1 8 . 1 1 44 44 MET CA C 34 55.077 55.077 54.362 0.715 17729
1803 1 8 . 1 1 44 44 MET CB C 34 32.646 32.646 36.005 -3.359 17729
1804 1 8 . 1 1 44 44 MET H H 34 7.731 7.731 7.399 0.332 17729
1805 1 8 . 1 1 45 45 LYS N N 35 117.415 117.415 121.510 -4.095 17729
1806 1 8 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.590 0.083 17729
1807 1 8 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.819 -1.702 17729
1808 1 8 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.332 1.505 17729
1809 1 8 . 1 1 45 45 LYS H H 35 8.594 8.594 8.802 -0.208 17729
1810 1 8 . 1 1 46 46 LYS N N 36 122.938 122.938 121.106 1.832 17729
1811 1 8 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.285 0.531 17729
1812 1 8 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.903 2.416 17729
1813 1 8 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.334 0.899 17729
1814 1 8 . 1 1 46 46 LYS H H 36 9.050 9.050 8.838 0.211 17729
1815 1 8 . 1 1 47 47 GLU N N 37 114.163 114.163 118.336 -4.173 17729
1816 1 8 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.081 -0.032 17729
1817 1 8 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.759 0.979 17729
1818 1 8 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.541 -0.011 17729
1819 1 8 . 1 1 47 47 GLU H H 37 9.129 9.129 8.678 0.451 17729
1820 1 8 . 1 1 48 48 ASP N N 38 119.868 119.868 118.471 1.397 17729
1821 1 8 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.608 -0.406 17729
1822 1 8 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.329 0.571 17729
1823 1 8 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.160 -0.980 17729
1824 1 8 . 1 1 48 48 ASP H H 38 7.829 7.829 7.686 0.143 17729
1825 1 8 . 1 1 49 49 PHE N N 39 116.115 116.115 112.933 3.182 17729
1826 1 8 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.748 -0.003 17729
1827 1 8 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.327 2.137 17729
1828 1 8 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.715 1.681 17729
1829 1 8 . 1 1 49 49 PHE H H 39 7.909 7.909 7.046 0.863 17729
1830 1 8 . 1 1 50 50 LEU N N 40 122.224 122.224 123.790 -1.566 17729
1831 1 8 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.358 -0.462 17729
1832 1 8 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.003 2.194 17729
1833 1 8 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.709 0.881 17729
1834 1 8 . 1 1 50 50 LEU H H 40 6.974 6.974 7.652 -0.678 17729
1835 1 8 . 1 1 51 51 VAL N N 41 127.077 127.077 126.053 1.024 17729
1836 1 8 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.351 -0.489 17729
1837 1 8 . 1 1 51 51 VAL CA C 41 61.739 61.739 59.952 1.787 17729
1838 1 8 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.286 -0.953 17729
1839 1 8 . 1 1 51 51 VAL H H 41 8.648 8.648 7.968 0.680 17729
1840 1 8 . 1 1 52 52 LYS N N 42 123.896 123.896 127.091 -3.195 17729
1841 1 8 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.430 -0.043 17729
1842 1 8 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.909 1.432 17729
1843 1 8 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.326 -0.513 17729
1844 1 8 . 1 1 52 52 LYS H H 42 8.077 8.077 8.198 -0.121 17729
1845 1 8 . 1 1 53 53 ASP N N 43 122.944 122.944 118.320 4.624 17729
1846 1 8 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.386 0.148 17729
1847 1 8 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.587 -2.260 17729
1848 1 8 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.335 -0.197 17729
1849 1 8 . 1 1 53 53 ASP H H 43 8.332 8.332 8.152 0.180 17729
1850 1 8 . 1 1 54 54 THR N N 44 113.734 113.734 112.839 0.895 17729
1851 1 8 . 1 1 54 54 THR HA H 44 4.184 4.184 4.313 -0.129 17729
1852 1 8 . 1 1 54 54 THR CA C 44 61.564 61.564 61.601 -0.037 17729
1853 1 8 . 1 1 54 54 THR CB C 44 69.719 69.719 70.273 -0.554 17729
1854 1 8 . 1 1 54 54 THR H H 44 7.950 7.950 7.585 0.365 17729
1855 1 8 . 1 1 55 55 GLU N N 45 122.650 122.650 121.495 1.155 17729
1856 1 8 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.980 0.183 17729
1857 1 8 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.539 -1.112 17729
1858 1 8 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.115 2.062 17729
1859 1 8 . 1 1 55 55 GLU H H 45 8.289 8.289 8.617 -0.328 17729
1860 1 8 . 1 1 56 56 GLU N N 46 121.892 121.892 118.571 3.321 17729
1861 1 8 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.270 -0.125 17729
1862 1 8 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.174 0.181 17729
1863 1 8 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.570 -0.128 17729
1864 1 8 . 1 1 56 56 GLU H H 46 8.192 8.192 8.186 0.006 17729
1865 1 9 . 1 1 7 7 HIS N N -3 120.845 120.845 111.761 9.084 17729
1866 1 9 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.346 0.186 17729
1867 1 9 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.962 -1.439 17729
1868 1 9 . 1 1 7 7 HIS CB C -3 29.612 29.612 26.849 2.763 17729
1869 1 9 . 1 1 7 7 HIS H H -3 8.599 8.599 8.527 0.072 17729
1870 1 9 . 1 1 8 8 SER N N -2 117.754 117.754 115.088 2.666 17729
1871 1 9 . 1 1 8 8 SER HA H -2 4.295 4.295 4.404 -0.109 17729
1872 1 9 . 1 1 8 8 SER CA C -2 58.301 58.301 58.882 -0.581 17729
1873 1 9 . 1 1 8 8 SER CB C -2 63.759 63.759 65.103 -1.345 17729
1874 1 9 . 1 1 8 8 SER H H -2 8.407 8.407 7.484 0.922 17729
1875 1 9 . 1 1 9 9 MET N N -1 122.201 122.201 119.105 3.096 17729
1876 1 9 . 1 1 9 9 MET HA H -1 4.371 4.371 4.175 0.196 17729
1877 1 9 . 1 1 9 9 MET CA C -1 55.513 55.513 56.374 -0.861 17729
1878 1 9 . 1 1 9 9 MET CB C -1 32.610 32.610 32.152 0.458 17729
1879 1 9 . 1 1 9 9 MET H H -1 8.467 8.467 7.917 0.550 17729
1880 1 9 . 1 1 10 10 GLY N N 0 109.518 109.518 108.956 0.562 17729
1881 1 9 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.754 0.613 17729
1882 1 9 . 1 1 10 10 GLY H H 0 8.303 8.303 8.395 -0.092 17729
1883 1 9 . 1 1 11 11 ASN N N 1 118.803 118.803 120.889 -2.086 17729
1884 1 9 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.817 -0.211 17729
1885 1 9 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.875 0.381 17729
1886 1 9 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.264 -0.370 17729
1887 1 9 . 1 1 11 11 ASN H H 1 8.275 8.275 7.850 0.425 17729
1888 1 9 . 1 1 12 12 SER N N 2 115.840 115.840 119.475 -3.635 17729
1889 1 9 . 1 1 12 12 SER HA H 2 4.310 4.310 4.527 -0.217 17729
1890 1 9 . 1 1 12 12 SER CA C 2 58.559 58.559 58.553 0.006 17729
1891 1 9 . 1 1 12 12 SER CB C 2 63.659 63.659 64.531 -0.872 17729
1892 1 9 . 1 1 12 12 SER H H 2 8.224 8.224 8.664 -0.440 17729
1893 1 9 . 1 1 13 13 SER N N 3 117.557 117.557 117.025 0.532 17729
1894 1 9 . 1 1 13 13 SER HA H 3 4.304 4.304 4.468 -0.164 17729
1895 1 9 . 1 1 13 13 SER CA C 3 58.541 58.541 58.536 0.005 17729
1896 1 9 . 1 1 13 13 SER CB C 3 63.661 63.661 62.491 1.170 17729
1897 1 9 . 1 1 13 13 SER H H 3 8.228 8.228 8.373 -0.145 17729
1898 1 9 . 1 1 14 14 LYS N N 4 122.301 122.301 120.797 1.504 17729
1899 1 9 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.408 -0.227 17729
1900 1 9 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.863 0.620 17729
1901 1 9 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.211 -2.429 17729
1902 1 9 . 1 1 14 14 LYS H H 4 8.192 8.192 7.768 0.424 17729
1903 1 9 . 1 1 15 15 GLY N N 5 109.122 109.122 110.285 -1.163 17729
1904 1 9 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.404 0.139 17729
1905 1 9 . 1 1 15 15 GLY H H 5 8.275 8.275 8.520 -0.245 17729
1906 1 9 . 1 1 16 16 VAL N N 6 117.135 117.135 125.712 -8.577 17729
1907 1 9 . 1 1 16 16 VAL HA H 6 4.415 4.415 3.910 0.505 17729
1908 1 9 . 1 1 16 16 VAL CA C 6 60.773 60.773 60.966 -0.193 17729
1909 1 9 . 1 1 16 16 VAL CB C 6 33.830 33.830 32.466 1.364 17729
1910 1 9 . 1 1 16 16 VAL H H 6 7.522 7.522 7.824 -0.302 17729
1911 1 9 . 1 1 17 17 TYR N N 7 120.317 120.317 123.235 -2.918 17729
1912 1 9 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.141 -0.760 17729
1913 1 9 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.081 1.411 17729
1914 1 9 . 1 1 17 17 TYR CB C 7 39.131 39.131 39.861 -0.730 17729
1915 1 9 . 1 1 17 17 TYR H H 7 7.929 7.929 7.786 0.143 17729
1916 1 9 . 1 1 18 18 TYR N N 8 117.105 117.105 117.220 -0.115 17729
1917 1 9 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.289 0.037 17729
1918 1 9 . 1 1 18 18 TYR CA C 8 56.891 56.891 57.542 -0.651 17729
1919 1 9 . 1 1 18 18 TYR CB C 8 41.298 41.298 42.348 -1.050 17729
1920 1 9 . 1 1 18 18 TYR H H 8 8.646 8.646 9.230 -0.584 17729
1921 1 9 . 1 1 19 19 ARG N N 9 122.698 122.698 122.455 0.243 17729
1922 1 9 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.483 0.066 17729
1923 1 9 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.134 0.663 17729
1924 1 9 . 1 1 19 19 ARG CB C 9 35.578 35.578 35.257 0.321 17729
1925 1 9 . 1 1 19 19 ARG H H 9 9.373 9.373 8.504 0.869 17729
1926 1 9 . 1 1 20 20 ASN N N 10 122.244 122.244 120.154 2.090 17729
1927 1 9 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.735 0.217 17729
1928 1 9 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.439 -1.475 17729
1929 1 9 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.714 -2.159 17729
1930 1 9 . 1 1 20 20 ASN H H 10 7.651 7.651 7.758 -0.107 17729
1931 1 9 . 1 1 21 21 GLU N N 11 118.795 118.795 118.862 -0.067 17729
1932 1 9 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.998 -0.076 17729
1933 1 9 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.005 -0.220 17729
1934 1 9 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.652 0.343 17729
1935 1 9 . 1 1 21 21 GLU H H 11 8.889 8.889 8.465 0.424 17729
1936 1 9 . 1 1 22 22 GLU N N 12 116.576 116.576 118.398 -1.822 17729
1937 1 9 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.079 0.043 17729
1938 1 9 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.501 -0.271 17729
1939 1 9 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.914 -0.525 17729
1940 1 9 . 1 1 22 22 GLU H H 12 7.280 7.280 8.409 -1.129 17729
1941 1 9 . 1 1 23 23 GLY N N 13 106.901 106.901 107.192 -0.291 17729
1942 1 9 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.047 0.088 17729
1943 1 9 . 1 1 23 23 GLY H H 13 7.732 7.732 7.741 -0.009 17729
1944 1 9 . 1 1 24 24 GLN N N 14 121.137 121.137 119.290 1.847 17729
1945 1 9 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.288 -0.162 17729
1946 1 9 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.785 0.324 17729
1947 1 9 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.960 -0.865 17729
1948 1 9 . 1 1 24 24 GLN H H 14 7.737 7.737 7.826 -0.089 17729
1949 1 9 . 1 1 25 25 THR N N 15 109.710 109.710 110.716 -1.006 17729
1950 1 9 . 1 1 25 25 THR HA H 15 5.829 5.829 5.752 0.077 17729
1951 1 9 . 1 1 25 25 THR CA C 15 60.280 60.280 60.421 -0.141 17729
1952 1 9 . 1 1 25 25 THR CB C 15 73.126 73.126 70.913 2.212 17729
1953 1 9 . 1 1 25 25 THR H H 15 8.351 8.351 8.314 0.037 17729
1954 1 9 . 1 1 26 26 TRP N N 16 122.132 122.132 126.539 -4.407 17729
1955 1 9 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.275 -0.000 17729
1956 1 9 . 1 1 26 26 TRP CA C 16 56.638 56.638 55.418 1.220 17729
1957 1 9 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.680 0.585 17729
1958 1 9 . 1 1 26 26 TRP H H 16 9.480 9.480 9.496 -0.016 17729
1959 1 9 . 1 1 27 27 SER N N 17 124.023 124.023 124.819 -0.796 17729
1960 1 9 . 1 1 27 27 SER HA H 17 4.231 4.231 4.235 -0.004 17729
1961 1 9 . 1 1 27 27 SER CA C 17 59.522 59.522 60.466 -0.944 17729
1962 1 9 . 1 1 27 27 SER CB C 17 64.161 64.161 63.359 0.802 17729
1963 1 9 . 1 1 27 27 SER H H 17 8.802 8.802 9.190 -0.388 17729
1964 1 9 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.157 0.071 17729
1965 1 9 . 1 1 29 29 VAL N N 19 117.282 117.282 119.379 -2.097 17729
1966 1 9 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.266 -0.467 17729
1967 1 9 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.422 -0.699 17729
1968 1 9 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.386 0.870 17729
1969 1 9 . 1 1 29 29 VAL H H 19 6.540 6.540 7.481 -0.941 17729
1970 1 9 . 1 1 30 30 GLY N N 20 111.415 111.415 115.319 -3.904 17729
1971 1 9 . 1 1 30 30 GLY CA C 20 44.618 44.618 46.341 -1.723 17729
1972 1 9 . 1 1 30 30 GLY H H 20 8.348 8.348 8.473 -0.125 17729
1973 1 9 . 1 1 31 31 ARG N N 21 118.607 118.607 123.349 -4.742 17729
1974 1 9 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.698 -1.100 17729
1975 1 9 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.458 2.962 17729
1976 1 9 . 1 1 31 31 ARG H H 21 6.840 6.840 8.715 -1.875 17729
1977 1 9 . 1 1 32 32 GLN N N 22 119.299 119.299 118.040 1.259 17729
1978 1 9 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.420 -0.718 17729
1979 1 9 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.277 0.503 17729
1980 1 9 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.170 -2.000 17729
1981 1 9 . 1 1 32 32 GLN H H 22 6.214 6.214 8.281 -2.067 17729
1982 1 9 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.223 0.164 17729
1983 1 9 . 1 1 33 33 PRO CA C 23 60.514 60.514 62.008 -1.494 17729
1984 1 9 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.205 -0.023 17729
1985 1 9 . 1 1 34 34 ARG N N 24 123.469 123.469 119.406 4.063 17729
1986 1 9 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.929 -0.447 17729
1987 1 9 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.156 0.708 17729
1988 1 9 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.172 0.306 17729
1989 1 9 . 1 1 34 34 ARG H H 24 9.154 9.154 8.543 0.611 17729
1990 1 9 . 1 1 35 35 TRP N N 25 113.687 113.687 117.731 -4.044 17729
1991 1 9 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.479 -0.385 17729
1992 1 9 . 1 1 35 35 TRP CA C 25 58.573 58.573 58.418 0.155 17729
1993 1 9 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.366 -1.341 17729
1994 1 9 . 1 1 35 35 TRP H H 25 7.813 7.813 8.284 -0.471 17729
1995 1 9 . 1 1 36 36 LEU N N 26 125.176 125.176 122.113 3.063 17729
1996 1 9 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.655 -0.370 17729
1997 1 9 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.556 -1.170 17729
1998 1 9 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.499 -0.191 17729
1999 1 9 . 1 1 36 36 LEU H H 26 5.622 5.622 6.614 -0.992 17729
2000 1 9 . 1 1 37 37 LYS N N 27 119.347 119.347 119.446 -0.099 17729
2001 1 9 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.844 -0.378 17729
2002 1 9 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.662 0.015 17729
2003 1 9 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.094 -0.517 17729
2004 1 9 . 1 1 37 37 LYS H H 27 7.264 7.264 7.325 -0.061 17729
2005 1 9 . 1 1 38 38 GLU N N 28 116.166 116.166 118.338 -2.172 17729
2006 1 9 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.035 -0.297 17729
2007 1 9 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.968 0.177 17729
2008 1 9 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.108 0.072 17729
2009 1 9 . 1 1 38 38 GLU H H 28 8.355 8.355 7.808 0.547 17729
2010 1 9 . 1 1 39 39 ALA N N 29 122.540 122.540 121.119 1.421 17729
2011 1 9 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.168 0.019 17729
2012 1 9 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.922 0.442 17729
2013 1 9 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.833 -0.328 17729
2014 1 9 . 1 1 39 39 ALA H H 29 7.220 7.220 8.022 -0.802 17729
2015 1 9 . 1 1 40 40 LEU N N 30 119.110 119.110 120.715 -1.605 17729
2016 1 9 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.714 -0.497 17729
2017 1 9 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.674 -0.422 17729
2018 1 9 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.434 -2.241 17729
2019 1 9 . 1 1 40 40 LEU H H 30 8.143 8.143 7.986 0.157 17729
2020 1 9 . 1 1 41 41 LEU N N 31 121.655 121.655 114.093 7.562 17729
2021 1 9 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.246 -0.204 17729
2022 1 9 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.697 0.550 17729
2023 1 9 . 1 1 41 41 LEU CB C 31 41.660 41.660 40.956 0.704 17729
2024 1 9 . 1 1 41 41 LEU H H 31 7.754 7.754 8.015 -0.261 17729
2025 1 9 . 1 1 42 42 ASN N N 32 116.379 116.379 117.358 -0.979 17729
2026 1 9 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.648 0.098 17729
2027 1 9 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.273 -1.222 17729
2028 1 9 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.491 -0.254 17729
2029 1 9 . 1 1 42 42 ASN H H 32 7.475 7.475 7.757 -0.282 17729
2030 1 9 . 1 1 43 43 GLY N N 33 106.130 106.130 107.473 -1.343 17729
2031 1 9 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.884 0.927 17729
2032 1 9 . 1 1 43 43 GLY H H 33 7.674 7.674 7.855 -0.181 17729
2033 1 9 . 1 1 44 44 MET N N 34 118.621 118.621 118.388 0.233 17729
2034 1 9 . 1 1 44 44 MET HA H 34 4.527 4.527 5.028 -0.501 17729
2035 1 9 . 1 1 44 44 MET CA C 34 55.077 55.077 54.219 0.858 17729
2036 1 9 . 1 1 44 44 MET CB C 34 32.646 32.646 35.079 -2.433 17729
2037 1 9 . 1 1 44 44 MET H H 34 7.731 7.731 7.414 0.317 17729
2038 1 9 . 1 1 45 45 LYS N N 35 117.415 117.415 122.996 -5.581 17729
2039 1 9 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.408 0.265 17729
2040 1 9 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.557 -2.440 17729
2041 1 9 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.134 1.703 17729
2042 1 9 . 1 1 45 45 LYS H H 35 8.594 8.594 8.947 -0.353 17729
2043 1 9 . 1 1 46 46 LYS N N 36 122.938 122.938 121.417 1.521 17729
2044 1 9 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.063 0.753 17729
2045 1 9 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.758 2.561 17729
2046 1 9 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.787 0.446 17729
2047 1 9 . 1 1 46 46 LYS H H 36 9.050 9.050 8.829 0.221 17729
2048 1 9 . 1 1 47 47 GLU N N 37 114.163 114.163 118.507 -4.344 17729
2049 1 9 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.095 -0.046 17729
2050 1 9 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.908 0.830 17729
2051 1 9 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.597 -0.067 17729
2052 1 9 . 1 1 47 47 GLU H H 37 9.129 9.129 8.674 0.455 17729
2053 1 9 . 1 1 48 48 ASP N N 38 119.868 119.868 118.163 1.705 17729
2054 1 9 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.096 0.106 17729
2055 1 9 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.569 0.331 17729
2056 1 9 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.366 -1.186 17729
2057 1 9 . 1 1 48 48 ASP H H 38 7.829 7.829 7.683 0.146 17729
2058 1 9 . 1 1 49 49 PHE N N 39 116.115 116.115 112.460 3.655 17729
2059 1 9 . 1 1 49 49 PHE HA H 39 4.745 4.745 5.152 -0.407 17729
2060 1 9 . 1 1 49 49 PHE CA C 39 57.464 57.464 54.822 2.642 17729
2061 1 9 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.075 2.321 17729
2062 1 9 . 1 1 49 49 PHE H H 39 7.909 7.909 6.960 0.949 17729
2063 1 9 . 1 1 50 50 LEU N N 40 122.224 122.224 123.860 -1.636 17729
2064 1 9 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.385 -0.489 17729
2065 1 9 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.100 2.097 17729
2066 1 9 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.331 1.259 17729
2067 1 9 . 1 1 50 50 LEU H H 40 6.974 6.974 7.462 -0.488 17729
2068 1 9 . 1 1 51 51 VAL N N 41 127.077 127.077 126.080 0.997 17729
2069 1 9 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.370 -0.508 17729
2070 1 9 . 1 1 51 51 VAL CA C 41 61.739 61.739 61.054 0.684 17729
2071 1 9 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.109 -0.776 17729
2072 1 9 . 1 1 51 51 VAL H H 41 8.648 8.648 7.996 0.652 17729
2073 1 9 . 1 1 52 52 LYS N N 42 123.896 123.896 126.262 -2.366 17729
2074 1 9 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.430 -0.043 17729
2075 1 9 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.844 1.497 17729
2076 1 9 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.511 -0.698 17729
2077 1 9 . 1 1 52 52 LYS H H 42 8.077 8.077 8.275 -0.198 17729
2078 1 9 . 1 1 53 53 ASP N N 43 122.944 122.944 119.127 3.817 17729
2079 1 9 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.378 0.156 17729
2080 1 9 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.292 -1.965 17729
2081 1 9 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.418 -0.280 17729
2082 1 9 . 1 1 53 53 ASP H H 43 8.332 8.332 8.107 0.225 17729
2083 1 9 . 1 1 54 54 THR N N 44 113.734 113.734 113.487 0.247 17729
2084 1 9 . 1 1 54 54 THR HA H 44 4.184 4.184 4.411 -0.227 17729
2085 1 9 . 1 1 54 54 THR CA C 44 61.564 61.564 61.656 -0.092 17729
2086 1 9 . 1 1 54 54 THR CB C 44 69.719 69.719 69.957 -0.238 17729
2087 1 9 . 1 1 54 54 THR H H 44 7.950 7.950 7.461 0.489 17729
2088 1 9 . 1 1 55 55 GLU N N 45 122.650 122.650 122.444 0.206 17729
2089 1 9 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.941 0.222 17729
2090 1 9 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.251 -0.824 17729
2091 1 9 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.725 2.452 17729
2092 1 9 . 1 1 55 55 GLU H H 45 8.289 8.289 8.734 -0.445 17729
2093 1 9 . 1 1 56 56 GLU N N 46 121.892 121.892 118.993 2.899 17729
2094 1 9 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.277 -0.132 17729
2095 1 9 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.889 0.466 17729
2096 1 9 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.740 -0.298 17729
2097 1 9 . 1 1 56 56 GLU H H 46 8.192 8.192 8.307 -0.115 17729
2098 1 10 . 1 1 7 7 HIS N N -3 120.845 120.845 126.906 -6.061 17729
2099 1 10 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.685 -0.153 17729
2100 1 10 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.196 0.327 17729
2101 1 10 . 1 1 7 7 HIS CB C -3 29.612 29.612 32.330 -2.717 17729
2102 1 10 . 1 1 7 7 HIS H H -3 8.599 8.599 8.088 0.511 17729
2103 1 10 . 1 1 8 8 SER N N -2 117.754 117.754 121.541 -3.787 17729
2104 1 10 . 1 1 8 8 SER HA H -2 4.295 4.295 4.163 0.132 17729
2105 1 10 . 1 1 8 8 SER CA C -2 58.301 58.301 60.149 -1.848 17729
2106 1 10 . 1 1 8 8 SER CB C -2 63.759 63.759 63.519 0.240 17729
2107 1 10 . 1 1 8 8 SER H H -2 8.407 8.407 8.406 0.001 17729
2108 1 10 . 1 1 9 9 MET N N -1 122.201 122.201 118.085 4.116 17729
2109 1 10 . 1 1 9 9 MET HA H -1 4.371 4.371 4.711 -0.340 17729
2110 1 10 . 1 1 9 9 MET CA C -1 55.513 55.513 54.462 1.051 17729
2111 1 10 . 1 1 9 9 MET CB C -1 32.610 32.610 35.523 -2.913 17729
2112 1 10 . 1 1 9 9 MET H H -1 8.467 8.467 7.407 1.060 17729
2113 1 10 . 1 1 10 10 GLY N N 0 109.518 109.518 107.116 2.402 17729
2114 1 10 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.547 0.820 17729
2115 1 10 . 1 1 10 10 GLY H H 0 8.303 8.303 8.324 -0.021 17729
2116 1 10 . 1 1 11 11 ASN N N 1 118.803 118.803 118.642 0.161 17729
2117 1 10 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.744 -0.138 17729
2118 1 10 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.453 0.803 17729
2119 1 10 . 1 1 11 11 ASN CB C 1 38.894 38.894 37.430 1.464 17729
2120 1 10 . 1 1 11 11 ASN H H 1 8.275 8.275 8.461 -0.186 17729
2121 1 10 . 1 1 12 12 SER N N 2 115.840 115.840 115.560 0.280 17729
2122 1 10 . 1 1 12 12 SER HA H 2 4.310 4.310 4.563 -0.253 17729
2123 1 10 . 1 1 12 12 SER CA C 2 58.559 58.559 58.120 0.439 17729
2124 1 10 . 1 1 12 12 SER CB C 2 63.659 63.659 64.628 -0.969 17729
2125 1 10 . 1 1 12 12 SER H H 2 8.224 8.224 7.937 0.287 17729
2126 1 10 . 1 1 13 13 SER N N 3 117.557 117.557 118.843 -1.286 17729
2127 1 10 . 1 1 13 13 SER HA H 3 4.304 4.304 4.502 -0.198 17729
2128 1 10 . 1 1 13 13 SER CA C 3 58.541 58.541 58.159 0.382 17729
2129 1 10 . 1 1 13 13 SER CB C 3 63.661 63.661 64.201 -0.540 17729
2130 1 10 . 1 1 13 13 SER H H 3 8.228 8.228 7.718 0.510 17729
2131 1 10 . 1 1 14 14 LYS N N 4 122.301 122.301 122.587 -0.286 17729
2132 1 10 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.158 0.023 17729
2133 1 10 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.678 -0.195 17729
2134 1 10 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.467 0.315 17729
2135 1 10 . 1 1 14 14 LYS H H 4 8.192 8.192 8.211 -0.019 17729
2136 1 10 . 1 1 15 15 GLY N N 5 109.122 109.122 107.367 1.755 17729
2137 1 10 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.047 0.496 17729
2138 1 10 . 1 1 15 15 GLY H H 5 8.275 8.275 8.273 0.002 17729
2139 1 10 . 1 1 16 16 VAL N N 6 117.135 117.135 120.972 -3.837 17729
2140 1 10 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.828 -0.413 17729
2141 1 10 . 1 1 16 16 VAL CA C 6 60.773 60.773 58.716 2.057 17729
2142 1 10 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.335 0.495 17729
2143 1 10 . 1 1 16 16 VAL H H 6 7.522 7.522 7.608 -0.086 17729
2144 1 10 . 1 1 17 17 TYR N N 7 120.317 120.317 116.532 3.785 17729
2145 1 10 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.321 -0.940 17729
2146 1 10 . 1 1 17 17 TYR CA C 7 56.492 56.492 56.418 0.074 17729
2147 1 10 . 1 1 17 17 TYR CB C 7 39.131 39.131 42.485 -3.354 17729
2148 1 10 . 1 1 17 17 TYR H H 7 7.929 7.929 8.713 -0.784 17729
2149 1 10 . 1 1 18 18 TYR N N 8 117.105 117.105 122.646 -5.541 17729
2150 1 10 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.082 0.244 17729
2151 1 10 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.598 -1.707 17729
2152 1 10 . 1 1 18 18 TYR CB C 8 41.298 41.298 39.870 1.428 17729
2153 1 10 . 1 1 18 18 TYR H H 8 8.646 8.646 9.592 -0.946 17729
2154 1 10 . 1 1 19 19 ARG N N 9 122.698 122.698 126.178 -3.480 17729
2155 1 10 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.500 0.049 17729
2156 1 10 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.046 0.751 17729
2157 1 10 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.354 1.224 17729
2158 1 10 . 1 1 19 19 ARG H H 9 9.373 9.373 8.069 1.304 17729
2159 1 10 . 1 1 20 20 ASN N N 10 122.244 122.244 121.582 0.662 17729
2160 1 10 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.711 0.241 17729
2161 1 10 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.470 -1.506 17729
2162 1 10 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.931 -2.376 17729
2163 1 10 . 1 1 20 20 ASN H H 10 7.651 7.651 7.781 -0.130 17729
2164 1 10 . 1 1 21 21 GLU N N 11 118.795 118.795 119.331 -0.536 17729
2165 1 10 . 1 1 21 21 GLU HA H 11 3.922 3.922 4.005 -0.083 17729
2166 1 10 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.080 -0.294 17729
2167 1 10 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.676 0.319 17729
2168 1 10 . 1 1 21 21 GLU H H 11 8.889 8.889 8.547 0.342 17729
2169 1 10 . 1 1 22 22 GLU N N 12 116.576 116.576 118.514 -1.938 17729
2170 1 10 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.096 0.026 17729
2171 1 10 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.252 -0.022 17729
2172 1 10 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.716 -0.327 17729
2173 1 10 . 1 1 22 22 GLU H H 12 7.280 7.280 8.391 -1.111 17729
2174 1 10 . 1 1 23 23 GLY N N 13 106.901 106.901 107.604 -0.703 17729
2175 1 10 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.263 -0.128 17729
2176 1 10 . 1 1 23 23 GLY H H 13 7.732 7.732 7.676 0.056 17729
2177 1 10 . 1 1 24 24 GLN N N 14 121.137 121.137 119.075 2.062 17729
2178 1 10 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.297 -0.171 17729
2179 1 10 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.457 0.652 17729
2180 1 10 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.675 -0.580 17729
2181 1 10 . 1 1 24 24 GLN H H 14 7.737 7.737 7.840 -0.103 17729
2182 1 10 . 1 1 25 25 THR N N 15 109.710 109.710 109.907 -0.197 17729
2183 1 10 . 1 1 25 25 THR HA H 15 5.829 5.829 5.788 0.041 17729
2184 1 10 . 1 1 25 25 THR CA C 15 60.280 60.280 60.625 -0.345 17729
2185 1 10 . 1 1 25 25 THR CB C 15 73.126 73.126 71.183 1.943 17729
2186 1 10 . 1 1 25 25 THR H H 15 8.351 8.351 8.434 -0.083 17729
2187 1 10 . 1 1 26 26 TRP N N 16 122.132 122.132 126.901 -4.769 17729
2188 1 10 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.229 0.047 17729
2189 1 10 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.121 0.517 17729
2190 1 10 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.175 0.091 17729
2191 1 10 . 1 1 26 26 TRP H H 16 9.480 9.480 9.100 0.380 17729
2192 1 10 . 1 1 27 27 SER N N 17 124.023 124.023 122.980 1.043 17729
2193 1 10 . 1 1 27 27 SER HA H 17 4.231 4.231 4.422 -0.191 17729
2194 1 10 . 1 1 27 27 SER CA C 17 59.522 59.522 59.948 -0.426 17729
2195 1 10 . 1 1 27 27 SER CB C 17 64.161 64.161 63.652 0.509 17729
2196 1 10 . 1 1 27 27 SER H H 17 8.802 8.802 9.070 -0.268 17729
2197 1 10 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.210 0.018 17729
2198 1 10 . 1 1 29 29 VAL N N 19 117.282 117.282 119.208 -1.926 17729
2199 1 10 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.444 -0.645 17729
2200 1 10 . 1 1 29 29 VAL CA C 19 60.724 60.724 60.816 -0.092 17729
2201 1 10 . 1 1 29 29 VAL CB C 19 34.256 34.256 34.109 0.147 17729
2202 1 10 . 1 1 29 29 VAL H H 19 6.540 6.540 7.464 -0.924 17729
2203 1 10 . 1 1 30 30 GLY N N 20 111.415 111.415 111.390 0.025 17729
2204 1 10 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.069 -0.451 17729
2205 1 10 . 1 1 30 30 GLY H H 20 8.348 8.348 8.685 -0.337 17729
2206 1 10 . 1 1 31 31 ARG N N 21 118.607 118.607 120.143 -1.536 17729
2207 1 10 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.918 -0.320 17729
2208 1 10 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.128 0.292 17729
2209 1 10 . 1 1 31 31 ARG H H 21 6.840 6.840 8.434 -1.594 17729
2210 1 10 . 1 1 32 32 GLN N N 22 119.299 119.299 117.783 1.516 17729
2211 1 10 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.378 -0.676 17729
2212 1 10 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.520 0.260 17729
2213 1 10 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.881 -2.711 17729
2214 1 10 . 1 1 32 32 GLN H H 22 6.214 6.214 8.027 -1.813 17729
2215 1 10 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.070 0.317 17729
2216 1 10 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.955 -1.441 17729
2217 1 10 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.797 0.386 17729
2218 1 10 . 1 1 34 34 ARG N N 24 123.469 123.469 120.018 3.451 17729
2219 1 10 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.900 -0.418 17729
2220 1 10 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.590 1.274 17729
2221 1 10 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.773 -0.295 17729
2222 1 10 . 1 1 34 34 ARG H H 24 9.154 9.154 8.625 0.529 17729
2223 1 10 . 1 1 35 35 TRP N N 25 113.687 113.687 116.369 -2.682 17729
2224 1 10 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.625 -0.531 17729
2225 1 10 . 1 1 35 35 TRP CA C 25 58.573 58.573 55.479 3.094 17729
2226 1 10 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.300 -1.275 17729
2227 1 10 . 1 1 35 35 TRP H H 25 7.813 7.813 6.978 0.835 17729
2228 1 10 . 1 1 36 36 LEU N N 26 125.176 125.176 124.319 0.857 17729
2229 1 10 . 1 1 36 36 LEU HA H 26 3.284 3.284 4.081 -0.797 17729
2230 1 10 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.329 -0.943 17729
2231 1 10 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.321 -1.013 17729
2232 1 10 . 1 1 36 36 LEU H H 26 5.622 5.622 7.516 -1.894 17729
2233 1 10 . 1 1 37 37 LYS N N 27 119.347 119.347 118.213 1.134 17729
2234 1 10 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.910 -0.444 17729
2235 1 10 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.406 0.271 17729
2236 1 10 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.655 -0.078 17729
2237 1 10 . 1 1 37 37 LYS H H 27 7.264 7.264 7.490 -0.226 17729
2238 1 10 . 1 1 38 38 GLU N N 28 116.166 116.166 119.635 -3.469 17729
2239 1 10 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.046 -0.308 17729
2240 1 10 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.213 -0.068 17729
2241 1 10 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.833 0.347 17729
2242 1 10 . 1 1 38 38 GLU H H 28 8.355 8.355 8.350 0.005 17729
2243 1 10 . 1 1 39 39 ALA N N 29 122.540 122.540 120.638 1.902 17729
2244 1 10 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.191 -0.004 17729
2245 1 10 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.550 0.814 17729
2246 1 10 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.352 0.153 17729
2247 1 10 . 1 1 39 39 ALA H H 29 7.220 7.220 7.522 -0.302 17729
2248 1 10 . 1 1 40 40 LEU N N 30 119.110 119.110 121.027 -1.917 17729
2249 1 10 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.589 -0.372 17729
2250 1 10 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.606 -0.354 17729
2251 1 10 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.387 -2.194 17729
2252 1 10 . 1 1 40 40 LEU H H 30 8.143 8.143 7.673 0.470 17729
2253 1 10 . 1 1 41 41 LEU N N 31 121.655 121.655 115.315 6.340 17729
2254 1 10 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.193 -0.151 17729
2255 1 10 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.998 0.249 17729
2256 1 10 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.156 0.504 17729
2257 1 10 . 1 1 41 41 LEU H H 31 7.754 7.754 8.305 -0.551 17729
2258 1 10 . 1 1 42 42 ASN N N 32 116.379 116.379 117.572 -1.193 17729
2259 1 10 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.619 0.127 17729
2260 1 10 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.022 -0.970 17729
2261 1 10 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.473 -0.236 17729
2262 1 10 . 1 1 42 42 ASN H H 32 7.475 7.475 7.850 -0.375 17729
2263 1 10 . 1 1 43 43 GLY N N 33 106.130 106.130 107.766 -1.636 17729
2264 1 10 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.906 0.905 17729
2265 1 10 . 1 1 43 43 GLY H H 33 7.674 7.674 7.831 -0.157 17729
2266 1 10 . 1 1 44 44 MET N N 34 118.621 118.621 115.976 2.645 17729
2267 1 10 . 1 1 44 44 MET HA H 34 4.527 4.527 4.970 -0.443 17729
2268 1 10 . 1 1 44 44 MET CA C 34 55.077 55.077 54.438 0.639 17729
2269 1 10 . 1 1 44 44 MET CB C 34 32.646 32.646 35.887 -3.241 17729
2270 1 10 . 1 1 44 44 MET H H 34 7.731 7.731 7.352 0.379 17729
2271 1 10 . 1 1 45 45 LYS N N 35 117.415 117.415 119.889 -2.474 17729
2272 1 10 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.557 0.116 17729
2273 1 10 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.618 -1.501 17729
2274 1 10 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.367 1.470 17729
2275 1 10 . 1 1 45 45 LYS H H 35 8.594 8.594 8.289 0.305 17729
2276 1 10 . 1 1 46 46 LYS N N 36 122.938 122.938 120.639 2.299 17729
2277 1 10 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.297 0.519 17729
2278 1 10 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.865 2.454 17729
2279 1 10 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.506 0.727 17729
2280 1 10 . 1 1 46 46 LYS H H 36 9.050 9.050 8.751 0.299 17729
2281 1 10 . 1 1 47 47 GLU N N 37 114.163 114.163 118.990 -4.827 17729
2282 1 10 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.097 -0.048 17729
2283 1 10 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.024 0.714 17729
2284 1 10 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.555 -0.025 17729
2285 1 10 . 1 1 47 47 GLU H H 37 9.129 9.129 8.575 0.554 17729
2286 1 10 . 1 1 48 48 ASP N N 38 119.868 119.868 119.242 0.626 17729
2287 1 10 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.173 0.029 17729
2288 1 10 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.218 -0.318 17729
2289 1 10 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.246 -1.066 17729
2290 1 10 . 1 1 48 48 ASP H H 38 7.829 7.829 7.723 0.106 17729
2291 1 10 . 1 1 49 49 PHE N N 39 116.115 116.115 112.140 3.975 17729
2292 1 10 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.905 -0.160 17729
2293 1 10 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.233 2.231 17729
2294 1 10 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.936 2.460 17729
2295 1 10 . 1 1 49 49 PHE H H 39 7.909 7.909 6.778 1.131 17729
2296 1 10 . 1 1 50 50 LEU N N 40 122.224 122.224 124.330 -2.106 17729
2297 1 10 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.046 -0.150 17729
2298 1 10 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.509 1.688 17729
2299 1 10 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.197 1.393 17729
2300 1 10 . 1 1 50 50 LEU H H 40 6.974 6.974 7.281 -0.307 17729
2301 1 10 . 1 1 51 51 VAL N N 41 127.077 127.077 122.057 5.020 17729
2302 1 10 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.538 -0.676 17729
2303 1 10 . 1 1 51 51 VAL CA C 41 61.739 61.739 59.302 2.437 17729
2304 1 10 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.959 -1.626 17729
2305 1 10 . 1 1 51 51 VAL H H 41 8.648 8.648 8.594 0.054 17729
2306 1 10 . 1 1 52 52 LYS N N 42 123.896 123.896 121.961 1.935 17729
2307 1 10 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.527 -0.140 17729
2308 1 10 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.433 0.908 17729
2309 1 10 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.648 -0.835 17729
2310 1 10 . 1 1 52 52 LYS H H 42 8.077 8.077 8.252 -0.175 17729
2311 1 10 . 1 1 53 53 ASP N N 43 122.944 122.944 119.905 3.039 17729
2312 1 10 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.507 0.027 17729
2313 1 10 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.804 -2.477 17729
2314 1 10 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.012 0.126 17729
2315 1 10 . 1 1 53 53 ASP H H 43 8.332 8.332 8.349 -0.017 17729
2316 1 10 . 1 1 54 54 THR N N 44 113.734 113.734 115.124 -1.390 17729
2317 1 10 . 1 1 54 54 THR HA H 44 4.184 4.184 4.464 -0.280 17729
2318 1 10 . 1 1 54 54 THR CA C 44 61.564 61.564 62.348 -0.784 17729
2319 1 10 . 1 1 54 54 THR CB C 44 69.719 69.719 69.743 -0.024 17729
2320 1 10 . 1 1 54 54 THR H H 44 7.950 7.950 7.657 0.293 17729
2321 1 10 . 1 1 55 55 GLU N N 45 122.650 122.650 122.778 -0.128 17729
2322 1 10 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.865 0.298 17729
2323 1 10 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.148 -0.721 17729
2324 1 10 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.247 1.930 17729
2325 1 10 . 1 1 55 55 GLU H H 45 8.289 8.289 8.961 -0.672 17729
2326 1 10 . 1 1 56 56 GLU N N 46 121.892 121.892 119.152 2.740 17729
2327 1 10 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.536 -0.391 17729
2328 1 10 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.592 0.763 17729
2329 1 10 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.823 -0.381 17729
2330 1 10 . 1 1 56 56 GLU H H 46 8.192 8.192 8.200 -0.008 17729
2331 1 11 . 1 1 7 7 HIS N N -3 120.845 120.845 125.916 -5.071 17729
2332 1 11 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.751 -0.219 17729
2333 1 11 . 1 1 7 7 HIS CA C -3 55.523 55.523 54.764 0.759 17729
2334 1 11 . 1 1 7 7 HIS CB C -3 29.612 29.612 31.179 -1.567 17729
2335 1 11 . 1 1 7 7 HIS H H -3 8.599 8.599 8.036 0.563 17729
2336 1 11 . 1 1 8 8 SER N N -2 117.754 117.754 121.206 -3.452 17729
2337 1 11 . 1 1 8 8 SER HA H -2 4.295 4.295 4.179 0.116 17729
2338 1 11 . 1 1 8 8 SER CA C -2 58.301 58.301 60.034 -1.733 17729
2339 1 11 . 1 1 8 8 SER CB C -2 63.759 63.759 63.457 0.302 17729
2340 1 11 . 1 1 8 8 SER H H -2 8.407 8.407 8.613 -0.206 17729
2341 1 11 . 1 1 9 9 MET N N -1 122.201 122.201 117.423 4.778 17729
2342 1 11 . 1 1 9 9 MET HA H -1 4.371 4.371 4.791 -0.420 17729
2343 1 11 . 1 1 9 9 MET CA C -1 55.513 55.513 55.303 0.209 17729
2344 1 11 . 1 1 9 9 MET CB C -1 32.610 32.610 35.709 -3.099 17729
2345 1 11 . 1 1 9 9 MET H H -1 8.467 8.467 7.440 1.027 17729
2346 1 11 . 1 1 10 10 GLY N N 0 109.518 109.518 109.028 0.490 17729
2347 1 11 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.230 0.137 17729
2348 1 11 . 1 1 10 10 GLY H H 0 8.303 8.303 8.380 -0.077 17729
2349 1 11 . 1 1 11 11 ASN N N 1 118.803 118.803 120.737 -1.934 17729
2350 1 11 . 1 1 11 11 ASN HA H 1 4.606 4.606 5.085 -0.479 17729
2351 1 11 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.467 0.789 17729
2352 1 11 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.548 -0.654 17729
2353 1 11 . 1 1 11 11 ASN H H 1 8.275 8.275 8.540 -0.265 17729
2354 1 11 . 1 1 12 12 SER N N 2 115.840 115.840 116.175 -0.335 17729
2355 1 11 . 1 1 12 12 SER HA H 2 4.310 4.310 4.523 -0.213 17729
2356 1 11 . 1 1 12 12 SER CA C 2 58.559 58.559 58.856 -0.297 17729
2357 1 11 . 1 1 12 12 SER CB C 2 63.659 63.659 63.145 0.514 17729
2358 1 11 . 1 1 12 12 SER H H 2 8.224 8.224 8.290 -0.066 17729
2359 1 11 . 1 1 13 13 SER N N 3 117.557 117.557 118.708 -1.151 17729
2360 1 11 . 1 1 13 13 SER HA H 3 4.304 4.304 4.239 0.065 17729
2361 1 11 . 1 1 13 13 SER CA C 3 58.541 58.541 59.049 -0.508 17729
2362 1 11 . 1 1 13 13 SER CB C 3 63.661 63.661 63.726 -0.065 17729
2363 1 11 . 1 1 13 13 SER H H 3 8.228 8.228 7.659 0.569 17729
2364 1 11 . 1 1 14 14 LYS N N 4 122.301 122.301 123.391 -1.090 17729
2365 1 11 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.135 0.046 17729
2366 1 11 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.662 -0.179 17729
2367 1 11 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.471 0.311 17729
2368 1 11 . 1 1 14 14 LYS H H 4 8.192 8.192 8.099 0.093 17729
2369 1 11 . 1 1 15 15 GLY N N 5 109.122 109.122 107.776 1.346 17729
2370 1 11 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.251 0.292 17729
2371 1 11 . 1 1 15 15 GLY H H 5 8.275 8.275 8.392 -0.117 17729
2372 1 11 . 1 1 16 16 VAL N N 6 117.135 117.135 120.393 -3.258 17729
2373 1 11 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.796 -0.381 17729
2374 1 11 . 1 1 16 16 VAL CA C 6 60.773 60.773 58.410 2.363 17729
2375 1 11 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.517 -0.687 17729
2376 1 11 . 1 1 16 16 VAL H H 6 7.522 7.522 7.614 -0.092 17729
2377 1 11 . 1 1 17 17 TYR N N 7 120.317 120.317 113.476 6.841 17729
2378 1 11 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.427 -1.046 17729
2379 1 11 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.942 0.550 17729
2380 1 11 . 1 1 17 17 TYR CB C 7 39.131 39.131 39.962 -0.831 17729
2381 1 11 . 1 1 17 17 TYR H H 7 7.929 7.929 8.233 -0.304 17729
2382 1 11 . 1 1 18 18 TYR N N 8 117.105 117.105 121.139 -4.034 17729
2383 1 11 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.259 0.067 17729
2384 1 11 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.523 -1.632 17729
2385 1 11 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.152 1.146 17729
2386 1 11 . 1 1 18 18 TYR H H 8 8.646 8.646 9.203 -0.557 17729
2387 1 11 . 1 1 19 19 ARG N N 9 122.698 122.698 124.436 -1.738 17729
2388 1 11 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.318 0.231 17729
2389 1 11 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.335 0.462 17729
2390 1 11 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.501 1.077 17729
2391 1 11 . 1 1 19 19 ARG H H 9 9.373 9.373 8.234 1.139 17729
2392 1 11 . 1 1 20 20 ASN N N 10 122.244 122.244 120.567 1.677 17729
2393 1 11 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.799 0.153 17729
2394 1 11 . 1 1 20 20 ASN CA C 10 49.964 49.964 52.189 -2.225 17729
2395 1 11 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.340 -1.785 17729
2396 1 11 . 1 1 20 20 ASN H H 10 7.651 7.651 7.900 -0.249 17729
2397 1 11 . 1 1 21 21 GLU N N 11 118.795 118.795 118.795 0.000 17729
2398 1 11 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.961 -0.039 17729
2399 1 11 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.822 -0.036 17729
2400 1 11 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.956 0.039 17729
2401 1 11 . 1 1 21 21 GLU H H 11 8.889 8.889 8.735 0.154 17729
2402 1 11 . 1 1 22 22 GLU N N 12 116.576 116.576 119.126 -2.550 17729
2403 1 11 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.062 0.060 17729
2404 1 11 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.277 -0.047 17729
2405 1 11 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.813 -0.424 17729
2406 1 11 . 1 1 22 22 GLU H H 12 7.280 7.280 8.305 -1.025 17729
2407 1 11 . 1 1 23 23 GLY N N 13 106.901 106.901 107.332 -0.431 17729
2408 1 11 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.135 0.000 17729
2409 1 11 . 1 1 23 23 GLY H H 13 7.732 7.732 7.647 0.085 17729
2410 1 11 . 1 1 24 24 GLN N N 14 121.137 121.137 119.177 1.960 17729
2411 1 11 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.368 -0.242 17729
2412 1 11 . 1 1 24 24 GLN CA C 14 56.109 56.109 56.136 -0.027 17729
2413 1 11 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.073 -0.978 17729
2414 1 11 . 1 1 24 24 GLN H H 14 7.737 7.737 7.857 -0.120 17729
2415 1 11 . 1 1 25 25 THR N N 15 109.710 109.710 110.161 -0.451 17729
2416 1 11 . 1 1 25 25 THR HA H 15 5.829 5.829 5.802 0.027 17729
2417 1 11 . 1 1 25 25 THR CA C 15 60.280 60.280 60.567 -0.287 17729
2418 1 11 . 1 1 25 25 THR CB C 15 73.126 73.126 71.212 1.914 17729
2419 1 11 . 1 1 25 25 THR H H 15 8.351 8.351 8.449 -0.098 17729
2420 1 11 . 1 1 26 26 TRP N N 16 122.132 122.132 126.411 -4.279 17729
2421 1 11 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.147 0.128 17729
2422 1 11 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.463 0.175 17729
2423 1 11 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.397 -0.131 17729
2424 1 11 . 1 1 26 26 TRP H H 16 9.480 9.480 9.044 0.436 17729
2425 1 11 . 1 1 27 27 SER N N 17 124.023 124.023 123.899 0.124 17729
2426 1 11 . 1 1 27 27 SER HA H 17 4.231 4.231 4.604 -0.373 17729
2427 1 11 . 1 1 27 27 SER CA C 17 59.522 59.522 60.082 -0.560 17729
2428 1 11 . 1 1 27 27 SER CB C 17 64.161 64.161 63.756 0.405 17729
2429 1 11 . 1 1 27 27 SER H H 17 8.802 8.802 8.905 -0.103 17729
2430 1 11 . 1 1 28 28 GLY CA C 18 44.228 44.228 43.982 0.246 17729
2431 1 11 . 1 1 29 29 VAL N N 19 117.282 117.282 121.942 -4.660 17729
2432 1 11 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.216 -0.417 17729
2433 1 11 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.982 -1.258 17729
2434 1 11 . 1 1 29 29 VAL CB C 19 34.256 34.256 32.452 1.804 17729
2435 1 11 . 1 1 29 29 VAL H H 19 6.540 6.540 7.676 -1.136 17729
2436 1 11 . 1 1 30 30 GLY N N 20 111.415 111.415 111.649 -0.234 17729
2437 1 11 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.618 -0.000 17729
2438 1 11 . 1 1 30 30 GLY H H 20 8.348 8.348 8.572 -0.224 17729
2439 1 11 . 1 1 31 31 ARG N N 21 118.607 118.607 119.398 -0.791 17729
2440 1 11 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.979 -0.381 17729
2441 1 11 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.396 0.024 17729
2442 1 11 . 1 1 31 31 ARG H H 21 6.840 6.840 8.465 -1.625 17729
2443 1 11 . 1 1 32 32 GLN N N 22 119.299 119.299 116.780 2.519 17729
2444 1 11 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.829 -1.127 17729
2445 1 11 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.632 0.148 17729
2446 1 11 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.787 -2.616 17729
2447 1 11 . 1 1 32 32 GLN H H 22 6.214 6.214 8.121 -1.907 17729
2448 1 11 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.208 0.179 17729
2449 1 11 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.662 -1.148 17729
2450 1 11 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.723 0.459 17729
2451 1 11 . 1 1 34 34 ARG N N 24 123.469 123.469 120.648 2.821 17729
2452 1 11 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.865 -0.383 17729
2453 1 11 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.901 0.963 17729
2454 1 11 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.658 -0.180 17729
2455 1 11 . 1 1 34 34 ARG H H 24 9.154 9.154 8.560 0.594 17729
2456 1 11 . 1 1 35 35 TRP N N 25 113.687 113.687 116.799 -3.112 17729
2457 1 11 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.683 -0.589 17729
2458 1 11 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.239 1.334 17729
2459 1 11 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.833 -1.808 17729
2460 1 11 . 1 1 35 35 TRP H H 25 7.813 7.813 7.630 0.183 17729
2461 1 11 . 1 1 36 36 LEU N N 26 125.176 125.176 124.375 0.801 17729
2462 1 11 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.884 -0.600 17729
2463 1 11 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.994 -1.608 17729
2464 1 11 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.003 -0.695 17729
2465 1 11 . 1 1 36 36 LEU H H 26 5.622 5.622 7.142 -1.520 17729
2466 1 11 . 1 1 37 37 LYS N N 27 119.347 119.347 117.334 2.013 17729
2467 1 11 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.878 -0.412 17729
2468 1 11 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.350 0.327 17729
2469 1 11 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.614 -0.037 17729
2470 1 11 . 1 1 37 37 LYS H H 27 7.264 7.264 7.583 -0.319 17729
2471 1 11 . 1 1 38 38 GLU N N 28 116.166 116.166 120.177 -4.011 17729
2472 1 11 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.038 -0.300 17729
2473 1 11 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.904 0.241 17729
2474 1 11 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.964 0.216 17729
2475 1 11 . 1 1 38 38 GLU H H 28 8.355 8.355 7.758 0.597 17729
2476 1 11 . 1 1 39 39 ALA N N 29 122.540 122.540 120.930 1.610 17729
2477 1 11 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.114 0.073 17729
2478 1 11 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.656 0.708 17729
2479 1 11 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.501 0.004 17729
2480 1 11 . 1 1 39 39 ALA H H 29 7.220 7.220 7.714 -0.494 17729
2481 1 11 . 1 1 40 40 LEU N N 30 119.110 119.110 120.503 -1.393 17729
2482 1 11 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.558 -0.341 17729
2483 1 11 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.774 -0.522 17729
2484 1 11 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.607 -2.414 17729
2485 1 11 . 1 1 40 40 LEU H H 30 8.143 8.143 7.877 0.266 17729
2486 1 11 . 1 1 41 41 LEU N N 31 121.655 121.655 115.266 6.389 17729
2487 1 11 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.238 -0.196 17729
2488 1 11 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.773 0.474 17729
2489 1 11 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.087 0.574 17729
2490 1 11 . 1 1 41 41 LEU H H 31 7.754 7.754 8.135 -0.381 17729
2491 1 11 . 1 1 42 42 ASN N N 32 116.379 116.379 117.417 -1.038 17729
2492 1 11 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.639 0.107 17729
2493 1 11 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.491 -0.439 17729
2494 1 11 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.503 0.734 17729
2495 1 11 . 1 1 42 42 ASN H H 32 7.475 7.475 7.567 -0.092 17729
2496 1 11 . 1 1 43 43 GLY N N 33 106.130 106.130 106.627 -0.497 17729
2497 1 11 . 1 1 43 43 GLY CA C 33 45.811 45.811 45.114 0.697 17729
2498 1 11 . 1 1 43 43 GLY H H 33 7.674 7.674 7.771 -0.097 17729
2499 1 11 . 1 1 44 44 MET N N 34 118.621 118.621 115.450 3.171 17729
2500 1 11 . 1 1 44 44 MET HA H 34 4.527 4.527 4.948 -0.421 17729
2501 1 11 . 1 1 44 44 MET CA C 34 55.077 55.077 54.286 0.791 17729
2502 1 11 . 1 1 44 44 MET CB C 34 32.646 32.646 36.071 -3.425 17729
2503 1 11 . 1 1 44 44 MET H H 34 7.731 7.731 7.492 0.239 17729
2504 1 11 . 1 1 45 45 LYS N N 35 117.415 117.415 120.790 -3.375 17729
2505 1 11 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.603 0.070 17729
2506 1 11 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.721 -1.604 17729
2507 1 11 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.558 1.279 17729
2508 1 11 . 1 1 45 45 LYS H H 35 8.594 8.594 8.411 0.183 17729
2509 1 11 . 1 1 46 46 LYS N N 36 122.938 122.938 121.397 1.541 17729
2510 1 11 . 1 1 46 46 LYS HA H 36 3.816 3.816 2.891 0.925 17729
2511 1 11 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.754 2.565 17729
2512 1 11 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.163 1.070 17729
2513 1 11 . 1 1 46 46 LYS H H 36 9.050 9.050 8.738 0.312 17729
2514 1 11 . 1 1 47 47 GLU N N 37 114.163 114.163 118.725 -4.562 17729
2515 1 11 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.166 -0.117 17729
2516 1 11 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.458 0.280 17729
2517 1 11 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.657 -0.127 17729
2518 1 11 . 1 1 47 47 GLU H H 37 9.129 9.129 8.573 0.556 17729
2519 1 11 . 1 1 48 48 ASP N N 38 119.868 119.868 119.838 0.030 17729
2520 1 11 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.377 -0.175 17729
2521 1 11 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.267 -0.367 17729
2522 1 11 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.215 -1.036 17729
2523 1 11 . 1 1 48 48 ASP H H 38 7.829 7.829 7.921 -0.092 17729
2524 1 11 . 1 1 49 49 PHE N N 39 116.115 116.115 113.355 2.760 17729
2525 1 11 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.925 -0.180 17729
2526 1 11 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.448 2.016 17729
2527 1 11 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.465 2.931 17729
2528 1 11 . 1 1 49 49 PHE H H 39 7.909 7.909 7.096 0.813 17729
2529 1 11 . 1 1 50 50 LEU N N 40 122.224 122.224 124.712 -2.488 17729
2530 1 11 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.321 -0.425 17729
2531 1 11 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.861 1.335 17729
2532 1 11 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.139 1.451 17729
2533 1 11 . 1 1 50 50 LEU H H 40 6.974 6.974 7.277 -0.303 17729
2534 1 11 . 1 1 51 51 VAL N N 41 127.077 127.077 125.577 1.500 17729
2535 1 11 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.160 -0.298 17729
2536 1 11 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.946 0.793 17729
2537 1 11 . 1 1 51 51 VAL CB C 41 33.333 33.333 33.915 -0.582 17729
2538 1 11 . 1 1 51 51 VAL H H 41 8.648 8.648 8.437 0.211 17729
2539 1 11 . 1 1 52 52 LYS N N 42 123.896 123.896 121.882 2.014 17729
2540 1 11 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.197 0.190 17729
2541 1 11 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.972 1.369 17729
2542 1 11 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.326 -0.513 17729
2543 1 11 . 1 1 52 52 LYS H H 42 8.077 8.077 8.163 -0.086 17729
2544 1 11 . 1 1 53 53 ASP N N 43 122.944 122.944 118.937 4.007 17729
2545 1 11 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.508 0.026 17729
2546 1 11 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.090 -1.763 17729
2547 1 11 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.159 -0.021 17729
2548 1 11 . 1 1 53 53 ASP H H 43 8.332 8.332 8.426 -0.094 17729
2549 1 11 . 1 1 54 54 THR N N 44 113.734 113.734 111.883 1.851 17729
2550 1 11 . 1 1 54 54 THR HA H 44 4.184 4.184 4.426 -0.242 17729
2551 1 11 . 1 1 54 54 THR CA C 44 61.564 61.564 61.582 -0.018 17729
2552 1 11 . 1 1 54 54 THR CB C 44 69.719 69.719 69.853 -0.134 17729
2553 1 11 . 1 1 54 54 THR H H 44 7.950 7.950 7.569 0.381 17729
2554 1 11 . 1 1 55 55 GLU N N 45 122.650 122.650 119.197 3.453 17729
2555 1 11 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.863 0.300 17729
2556 1 11 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.116 -0.689 17729
2557 1 11 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.814 2.363 17729
2558 1 11 . 1 1 55 55 GLU H H 45 8.289 8.289 8.784 -0.495 17729
2559 1 11 . 1 1 56 56 GLU N N 46 121.892 121.892 118.794 3.098 17729
2560 1 11 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.548 -0.403 17729
2561 1 11 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.057 1.298 17729
2562 1 11 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.968 -0.526 17729
2563 1 11 . 1 1 56 56 GLU H H 46 8.192 8.192 8.113 0.079 17729
2564 1 12 . 1 1 7 7 HIS N N -3 120.845 120.845 128.392 -7.547 17729
2565 1 12 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.633 -0.101 17729
2566 1 12 . 1 1 7 7 HIS CA C -3 55.523 55.523 54.610 0.913 17729
2567 1 12 . 1 1 7 7 HIS CB C -3 29.612 29.612 30.607 -0.995 17729
2568 1 12 . 1 1 7 7 HIS H H -3 8.599 8.599 8.160 0.439 17729
2569 1 12 . 1 1 8 8 SER N N -2 117.754 117.754 119.548 -1.794 17729
2570 1 12 . 1 1 8 8 SER HA H -2 4.295 4.295 4.149 0.146 17729
2571 1 12 . 1 1 8 8 SER CA C -2 58.301 58.301 59.899 -1.598 17729
2572 1 12 . 1 1 8 8 SER CB C -2 63.759 63.759 63.638 0.121 17729
2573 1 12 . 1 1 8 8 SER H H -2 8.407 8.407 8.355 0.052 17729
2574 1 12 . 1 1 9 9 MET N N -1 122.201 122.201 116.703 5.498 17729
2575 1 12 . 1 1 9 9 MET HA H -1 4.371 4.371 4.687 -0.316 17729
2576 1 12 . 1 1 9 9 MET CA C -1 55.513 55.513 54.822 0.691 17729
2577 1 12 . 1 1 9 9 MET CB C -1 32.610 32.610 35.758 -3.147 17729
2578 1 12 . 1 1 9 9 MET H H -1 8.467 8.467 8.027 0.440 17729
2579 1 12 . 1 1 10 10 GLY N N 0 109.518 109.518 107.262 2.256 17729
2580 1 12 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.281 0.087 17729
2581 1 12 . 1 1 10 10 GLY H H 0 8.303 8.303 8.393 -0.090 17729
2582 1 12 . 1 1 11 11 ASN N N 1 118.803 118.803 120.840 -2.037 17729
2583 1 12 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.905 -0.299 17729
2584 1 12 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.555 0.701 17729
2585 1 12 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.967 -1.073 17729
2586 1 12 . 1 1 11 11 ASN H H 1 8.275 8.275 8.743 -0.468 17729
2587 1 12 . 1 1 12 12 SER N N 2 115.840 115.840 116.151 -0.311 17729
2588 1 12 . 1 1 12 12 SER HA H 2 4.310 4.310 4.542 -0.232 17729
2589 1 12 . 1 1 12 12 SER CA C 2 58.559 58.559 58.754 -0.195 17729
2590 1 12 . 1 1 12 12 SER CB C 2 63.659 63.659 63.153 0.506 17729
2591 1 12 . 1 1 12 12 SER H H 2 8.224 8.224 8.188 0.036 17729
2592 1 12 . 1 1 13 13 SER N N 3 117.557 117.557 118.988 -1.431 17729
2593 1 12 . 1 1 13 13 SER HA H 3 4.304 4.304 4.206 0.098 17729
2594 1 12 . 1 1 13 13 SER CA C 3 58.541 58.541 58.874 -0.333 17729
2595 1 12 . 1 1 13 13 SER CB C 3 63.661 63.661 63.927 -0.266 17729
2596 1 12 . 1 1 13 13 SER H H 3 8.228 8.228 7.688 0.540 17729
2597 1 12 . 1 1 14 14 LYS N N 4 122.301 122.301 123.548 -1.247 17729
2598 1 12 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.121 0.060 17729
2599 1 12 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.630 -0.147 17729
2600 1 12 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.442 0.340 17729
2601 1 12 . 1 1 14 14 LYS H H 4 8.192 8.192 8.057 0.135 17729
2602 1 12 . 1 1 15 15 GLY N N 5 109.122 109.122 107.203 1.919 17729
2603 1 12 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.327 0.216 17729
2604 1 12 . 1 1 15 15 GLY H H 5 8.275 8.275 8.299 -0.024 17729
2605 1 12 . 1 1 16 16 VAL N N 6 117.135 117.135 120.797 -3.662 17729
2606 1 12 . 1 1 16 16 VAL HA H 6 4.415 4.415 3.962 0.453 17729
2607 1 12 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.667 1.106 17729
2608 1 12 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.276 -0.445 17729
2609 1 12 . 1 1 16 16 VAL H H 6 7.522 7.522 7.761 -0.239 17729
2610 1 12 . 1 1 17 17 TYR N N 7 120.317 120.317 113.326 6.991 17729
2611 1 12 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.488 -1.107 17729
2612 1 12 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.657 0.835 17729
2613 1 12 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.165 -1.034 17729
2614 1 12 . 1 1 17 17 TYR H H 7 7.929 7.929 8.293 -0.364 17729
2615 1 12 . 1 1 18 18 TYR N N 8 117.105 117.105 121.360 -4.255 17729
2616 1 12 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.358 -0.032 17729
2617 1 12 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.544 -1.653 17729
2618 1 12 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.193 1.105 17729
2619 1 12 . 1 1 18 18 TYR H H 8 8.646 8.646 9.260 -0.614 17729
2620 1 12 . 1 1 19 19 ARG N N 9 122.698 122.698 124.767 -2.069 17729
2621 1 12 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.420 0.129 17729
2622 1 12 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.862 0.935 17729
2623 1 12 . 1 1 19 19 ARG CB C 9 35.578 35.578 33.946 1.632 17729
2624 1 12 . 1 1 19 19 ARG H H 9 9.373 9.373 8.664 0.709 17729
2625 1 12 . 1 1 20 20 ASN N N 10 122.244 122.244 123.043 -0.799 17729
2626 1 12 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.763 0.189 17729
2627 1 12 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.335 -1.371 17729
2628 1 12 . 1 1 20 20 ASN CB C 10 38.555 38.555 41.212 -2.657 17729
2629 1 12 . 1 1 20 20 ASN H H 10 7.651 7.651 7.852 -0.201 17729
2630 1 12 . 1 1 21 21 GLU N N 11 118.795 118.795 120.076 -1.281 17729
2631 1 12 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.935 -0.013 17729
2632 1 12 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.000 -0.214 17729
2633 1 12 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.581 0.415 17729
2634 1 12 . 1 1 21 21 GLU H H 11 8.889 8.889 8.698 0.191 17729
2635 1 12 . 1 1 22 22 GLU N N 12 116.576 116.576 118.822 -2.246 17729
2636 1 12 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.085 0.037 17729
2637 1 12 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.471 -0.241 17729
2638 1 12 . 1 1 22 22 GLU CB C 12 29.389 29.389 30.000 -0.612 17729
2639 1 12 . 1 1 22 22 GLU H H 12 7.280 7.280 8.367 -1.087 17729
2640 1 12 . 1 1 23 23 GLY N N 13 106.901 106.901 107.200 -0.299 17729
2641 1 12 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.111 0.024 17729
2642 1 12 . 1 1 23 23 GLY H H 13 7.732 7.732 7.769 -0.037 17729
2643 1 12 . 1 1 24 24 GLN N N 14 121.137 121.137 118.653 2.484 17729
2644 1 12 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.302 -0.176 17729
2645 1 12 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.024 1.085 17729
2646 1 12 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.979 -0.884 17729
2647 1 12 . 1 1 24 24 GLN H H 14 7.737 7.737 7.652 0.085 17729
2648 1 12 . 1 1 25 25 THR N N 15 109.710 109.710 111.022 -1.312 17729
2649 1 12 . 1 1 25 25 THR HA H 15 5.829 5.829 5.811 0.018 17729
2650 1 12 . 1 1 25 25 THR CA C 15 60.280 60.280 60.405 -0.125 17729
2651 1 12 . 1 1 25 25 THR CB C 15 73.126 73.126 71.259 1.867 17729
2652 1 12 . 1 1 25 25 THR H H 15 8.351 8.351 8.296 0.055 17729
2653 1 12 . 1 1 26 26 TRP N N 16 122.132 122.132 126.715 -4.583 17729
2654 1 12 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.177 0.098 17729
2655 1 12 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.403 0.235 17729
2656 1 12 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.120 0.146 17729
2657 1 12 . 1 1 26 26 TRP H H 16 9.480 9.480 9.025 0.455 17729
2658 1 12 . 1 1 27 27 SER N N 17 124.023 124.023 123.879 0.144 17729
2659 1 12 . 1 1 27 27 SER HA H 17 4.231 4.231 4.519 -0.288 17729
2660 1 12 . 1 1 27 27 SER CA C 17 59.522 59.522 60.747 -1.225 17729
2661 1 12 . 1 1 27 27 SER CB C 17 64.161 64.161 63.559 0.602 17729
2662 1 12 . 1 1 27 27 SER H H 17 8.802 8.802 9.065 -0.263 17729
2663 1 12 . 1 1 28 28 GLY CA C 18 44.228 44.228 43.921 0.307 17729
2664 1 12 . 1 1 29 29 VAL N N 19 117.282 117.282 119.339 -2.057 17729
2665 1 12 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.528 -0.729 17729
2666 1 12 . 1 1 29 29 VAL CA C 19 60.724 60.724 60.707 0.017 17729
2667 1 12 . 1 1 29 29 VAL CB C 19 34.256 34.256 34.895 -0.639 17729
2668 1 12 . 1 1 29 29 VAL H H 19 6.540 6.540 7.583 -1.043 17729
2669 1 12 . 1 1 30 30 GLY N N 20 111.415 111.415 111.429 -0.014 17729
2670 1 12 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.882 -0.264 17729
2671 1 12 . 1 1 30 30 GLY H H 20 8.348 8.348 8.800 -0.452 17729
2672 1 12 . 1 1 31 31 ARG N N 21 118.607 118.607 120.077 -1.470 17729
2673 1 12 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.926 -0.328 17729
2674 1 12 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.193 0.227 17729
2675 1 12 . 1 1 31 31 ARG H H 21 6.840 6.840 8.464 -1.624 17729
2676 1 12 . 1 1 32 32 GLN N N 22 119.299 119.299 117.446 1.853 17729
2677 1 12 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.481 -0.779 17729
2678 1 12 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.868 -0.088 17729
2679 1 12 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.048 -2.878 17729
2680 1 12 . 1 1 32 32 GLN H H 22 6.214 6.214 8.034 -1.820 17729
2681 1 12 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.164 0.223 17729
2682 1 12 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.766 -1.252 17729
2683 1 12 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.005 0.177 17729
2684 1 12 . 1 1 34 34 ARG N N 24 123.469 123.469 120.427 3.042 17729
2685 1 12 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.904 -0.422 17729
2686 1 12 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.134 0.730 17729
2687 1 12 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.775 -0.297 17729
2688 1 12 . 1 1 34 34 ARG H H 24 9.154 9.154 8.629 0.525 17729
2689 1 12 . 1 1 35 35 TRP N N 25 113.687 113.687 117.146 -3.459 17729
2690 1 12 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.505 -0.411 17729
2691 1 12 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.271 2.302 17729
2692 1 12 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.984 -0.959 17729
2693 1 12 . 1 1 35 35 TRP H H 25 7.813 7.813 7.383 0.430 17729
2694 1 12 . 1 1 36 36 LEU N N 26 125.176 125.176 122.965 2.211 17729
2695 1 12 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.972 -0.688 17729
2696 1 12 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.755 -1.369 17729
2697 1 12 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.010 -0.702 17729
2698 1 12 . 1 1 36 36 LEU H H 26 5.622 5.622 7.194 -1.572 17729
2699 1 12 . 1 1 37 37 LYS N N 27 119.347 119.347 117.887 1.460 17729
2700 1 12 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.968 -0.502 17729
2701 1 12 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.232 0.445 17729
2702 1 12 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.782 -0.205 17729
2703 1 12 . 1 1 37 37 LYS H H 27 7.264 7.264 7.394 -0.130 17729
2704 1 12 . 1 1 38 38 GLU N N 28 116.166 116.166 119.899 -3.733 17729
2705 1 12 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.044 -0.306 17729
2706 1 12 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.982 0.163 17729
2707 1 12 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.014 0.166 17729
2708 1 12 . 1 1 38 38 GLU H H 28 8.355 8.355 7.623 0.732 17729
2709 1 12 . 1 1 39 39 ALA N N 29 122.540 122.540 120.476 2.064 17729
2710 1 12 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.115 0.071 17729
2711 1 12 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.473 0.891 17729
2712 1 12 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.511 -0.006 17729
2713 1 12 . 1 1 39 39 ALA H H 29 7.220 7.220 7.701 -0.481 17729
2714 1 12 . 1 1 40 40 LEU N N 30 119.110 119.110 120.488 -1.378 17729
2715 1 12 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.374 -0.157 17729
2716 1 12 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.650 -0.398 17729
2717 1 12 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.725 -2.533 17729
2718 1 12 . 1 1 40 40 LEU H H 30 8.143 8.143 7.754 0.389 17729
2719 1 12 . 1 1 41 41 LEU N N 31 121.655 121.655 116.249 5.406 17729
2720 1 12 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.152 -0.110 17729
2721 1 12 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.031 0.216 17729
2722 1 12 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.133 0.527 17729
2723 1 12 . 1 1 41 41 LEU H H 31 7.754 7.754 8.259 -0.505 17729
2724 1 12 . 1 1 42 42 ASN N N 32 116.379 116.379 117.476 -1.097 17729
2725 1 12 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.608 0.138 17729
2726 1 12 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.003 -0.951 17729
2727 1 12 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.262 -0.025 17729
2728 1 12 . 1 1 42 42 ASN H H 32 7.475 7.475 7.863 -0.388 17729
2729 1 12 . 1 1 43 43 GLY N N 33 106.130 106.130 107.447 -1.317 17729
2730 1 12 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.940 0.871 17729
2731 1 12 . 1 1 43 43 GLY H H 33 7.674 7.674 7.884 -0.210 17729
2732 1 12 . 1 1 44 44 MET N N 34 118.621 118.621 115.300 3.321 17729
2733 1 12 . 1 1 44 44 MET HA H 34 4.527 4.527 4.946 -0.419 17729
2734 1 12 . 1 1 44 44 MET CA C 34 55.077 55.077 54.075 1.002 17729
2735 1 12 . 1 1 44 44 MET CB C 34 32.646 32.646 35.395 -2.749 17729
2736 1 12 . 1 1 44 44 MET H H 34 7.731 7.731 7.455 0.276 17729
2737 1 12 . 1 1 45 45 LYS N N 35 117.415 117.415 118.741 -1.326 17729
2738 1 12 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.629 0.044 17729
2739 1 12 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.617 -1.500 17729
2740 1 12 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.539 1.298 17729
2741 1 12 . 1 1 45 45 LYS H H 35 8.594 8.594 8.495 0.099 17729
2742 1 12 . 1 1 46 46 LYS N N 36 122.938 122.938 119.875 3.063 17729
2743 1 12 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.249 0.567 17729
2744 1 12 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.572 2.747 17729
2745 1 12 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.672 0.561 17729
2746 1 12 . 1 1 46 46 LYS H H 36 9.050 9.050 8.771 0.279 17729
2747 1 12 . 1 1 47 47 GLU N N 37 114.163 114.163 119.471 -5.308 17729
2748 1 12 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.075 -0.026 17729
2749 1 12 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.091 0.647 17729
2750 1 12 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.597 -0.067 17729
2751 1 12 . 1 1 47 47 GLU H H 37 9.129 9.129 8.598 0.531 17729
2752 1 12 . 1 1 48 48 ASP N N 38 119.868 119.868 119.223 0.645 17729
2753 1 12 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.275 -0.073 17729
2754 1 12 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.302 -0.402 17729
2755 1 12 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.437 -1.257 17729
2756 1 12 . 1 1 48 48 ASP H H 38 7.829 7.829 7.589 0.240 17729
2757 1 12 . 1 1 49 49 PHE N N 39 116.115 116.115 111.887 4.228 17729
2758 1 12 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.951 -0.206 17729
2759 1 12 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.166 2.298 17729
2760 1 12 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.992 2.404 17729
2761 1 12 . 1 1 49 49 PHE H H 39 7.909 7.909 6.939 0.970 17729
2762 1 12 . 1 1 50 50 LEU N N 40 122.224 122.224 125.812 -3.588 17729
2763 1 12 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.378 -0.482 17729
2764 1 12 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.408 1.789 17729
2765 1 12 . 1 1 50 50 LEU CB C 40 43.590 43.590 41.715 1.875 17729
2766 1 12 . 1 1 50 50 LEU H H 40 6.974 6.974 7.386 -0.412 17729
2767 1 12 . 1 1 51 51 VAL N N 41 127.077 127.077 126.935 0.142 17729
2768 1 12 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.250 -0.388 17729
2769 1 12 . 1 1 51 51 VAL CA C 41 61.739 61.739 61.282 0.457 17729
2770 1 12 . 1 1 51 51 VAL CB C 41 33.333 33.333 33.267 0.066 17729
2771 1 12 . 1 1 51 51 VAL H H 41 8.648 8.648 8.705 -0.057 17729
2772 1 12 . 1 1 52 52 LYS N N 42 123.896 123.896 120.336 3.560 17729
2773 1 12 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.249 0.138 17729
2774 1 12 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.353 0.988 17729
2775 1 12 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.832 -1.019 17729
2776 1 12 . 1 1 52 52 LYS H H 42 8.077 8.077 8.008 0.069 17729
2777 1 12 . 1 1 53 53 ASP N N 43 122.944 122.944 119.289 3.655 17729
2778 1 12 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.325 0.209 17729
2779 1 12 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.211 -1.884 17729
2780 1 12 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.319 -0.181 17729
2781 1 12 . 1 1 53 53 ASP H H 43 8.332 8.332 8.108 0.224 17729
2782 1 12 . 1 1 54 54 THR N N 44 113.734 113.734 112.431 1.303 17729
2783 1 12 . 1 1 54 54 THR HA H 44 4.184 4.184 4.452 -0.268 17729
2784 1 12 . 1 1 54 54 THR CA C 44 61.564 61.564 61.346 0.218 17729
2785 1 12 . 1 1 54 54 THR CB C 44 69.719 69.719 70.782 -1.063 17729
2786 1 12 . 1 1 54 54 THR H H 44 7.950 7.950 7.403 0.547 17729
2787 1 12 . 1 1 55 55 GLU N N 45 122.650 122.650 118.141 4.509 17729
2788 1 12 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.888 0.276 17729
2789 1 12 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.086 -0.659 17729
2790 1 12 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.271 1.906 17729
2791 1 12 . 1 1 55 55 GLU H H 45 8.289 8.289 8.751 -0.462 17729
2792 1 12 . 1 1 56 56 GLU N N 46 121.892 121.892 119.616 2.276 17729
2793 1 12 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.467 -0.322 17729
2794 1 12 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.315 0.040 17729
2795 1 12 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.616 -0.175 17729
2796 1 12 . 1 1 56 56 GLU H H 46 8.192 8.192 8.250 -0.058 17729
2797 1 13 . 1 1 7 7 HIS N N -3 120.845 120.845 125.520 -4.675 17729
2798 1 13 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.548 -0.016 17729
2799 1 13 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.313 0.210 17729
2800 1 13 . 1 1 7 7 HIS CB C -3 29.612 29.612 32.667 -3.055 17729
2801 1 13 . 1 1 7 7 HIS H H -3 8.599 8.599 8.243 0.356 17729
2802 1 13 . 1 1 8 8 SER N N -2 117.754 117.754 119.645 -1.891 17729
2803 1 13 . 1 1 8 8 SER HA H -2 4.295 4.295 4.503 -0.208 17729
2804 1 13 . 1 1 8 8 SER CA C -2 58.301 58.301 59.655 -1.354 17729
2805 1 13 . 1 1 8 8 SER CB C -2 63.759 63.759 64.433 -0.674 17729
2806 1 13 . 1 1 8 8 SER H H -2 8.407 8.407 9.289 -0.882 17729
2807 1 13 . 1 1 9 9 MET N N -1 122.201 122.201 119.712 2.489 17729
2808 1 13 . 1 1 9 9 MET HA H -1 4.371 4.371 4.692 -0.321 17729
2809 1 13 . 1 1 9 9 MET CA C -1 55.513 55.513 55.492 0.021 17729
2810 1 13 . 1 1 9 9 MET CB C -1 32.610 32.610 36.777 -4.167 17729
2811 1 13 . 1 1 9 9 MET H H -1 8.467 8.467 8.553 -0.086 17729
2812 1 13 . 1 1 10 10 GLY N N 0 109.518 109.518 108.504 1.014 17729
2813 1 13 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.428 -0.061 17729
2814 1 13 . 1 1 10 10 GLY H H 0 8.303 8.303 8.376 -0.073 17729
2815 1 13 . 1 1 11 11 ASN N N 1 118.803 118.803 120.454 -1.651 17729
2816 1 13 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.970 -0.364 17729
2817 1 13 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.493 0.763 17729
2818 1 13 . 1 1 11 11 ASN CB C 1 38.894 38.894 38.913 -0.019 17729
2819 1 13 . 1 1 11 11 ASN H H 1 8.275 8.275 8.781 -0.506 17729
2820 1 13 . 1 1 12 12 SER N N 2 115.840 115.840 116.567 -0.727 17729
2821 1 13 . 1 1 12 12 SER HA H 2 4.310 4.310 4.420 -0.110 17729
2822 1 13 . 1 1 12 12 SER CA C 2 58.559 58.559 58.688 -0.129 17729
2823 1 13 . 1 1 12 12 SER CB C 2 63.659 63.659 62.787 0.872 17729
2824 1 13 . 1 1 12 12 SER H H 2 8.224 8.224 8.299 -0.075 17729
2825 1 13 . 1 1 13 13 SER N N 3 117.557 117.557 118.659 -1.102 17729
2826 1 13 . 1 1 13 13 SER HA H 3 4.304 4.304 4.217 0.087 17729
2827 1 13 . 1 1 13 13 SER CA C 3 58.541 58.541 59.073 -0.532 17729
2828 1 13 . 1 1 13 13 SER CB C 3 63.661 63.661 63.988 -0.327 17729
2829 1 13 . 1 1 13 13 SER H H 3 8.228 8.228 7.780 0.448 17729
2830 1 13 . 1 1 14 14 LYS N N 4 122.301 122.301 123.090 -0.789 17729
2831 1 13 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.109 0.072 17729
2832 1 13 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.646 -0.163 17729
2833 1 13 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.456 0.326 17729
2834 1 13 . 1 1 14 14 LYS H H 4 8.192 8.192 8.055 0.137 17729
2835 1 13 . 1 1 15 15 GLY N N 5 109.122 109.122 107.396 1.726 17729
2836 1 13 . 1 1 15 15 GLY CA C 5 45.543 45.543 44.914 0.629 17729
2837 1 13 . 1 1 15 15 GLY H H 5 8.275 8.275 8.298 -0.023 17729
2838 1 13 . 1 1 16 16 VAL N N 6 117.135 117.135 121.064 -3.929 17729
2839 1 13 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.067 0.348 17729
2840 1 13 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.285 1.488 17729
2841 1 13 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.167 0.663 17729
2842 1 13 . 1 1 16 16 VAL H H 6 7.522 7.522 7.770 -0.248 17729
2843 1 13 . 1 1 17 17 TYR N N 7 120.317 120.317 118.561 1.756 17729
2844 1 13 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.235 -0.854 17729
2845 1 13 . 1 1 17 17 TYR CA C 7 56.492 56.492 56.301 0.191 17729
2846 1 13 . 1 1 17 17 TYR CB C 7 39.131 39.131 41.454 -2.323 17729
2847 1 13 . 1 1 17 17 TYR H H 7 7.929 7.929 8.707 -0.778 17729
2848 1 13 . 1 1 18 18 TYR N N 8 117.105 117.105 123.423 -6.318 17729
2849 1 13 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.200 0.126 17729
2850 1 13 . 1 1 18 18 TYR CA C 8 56.891 56.891 59.057 -2.166 17729
2851 1 13 . 1 1 18 18 TYR CB C 8 41.298 41.298 39.806 1.492 17729
2852 1 13 . 1 1 18 18 TYR H H 8 8.646 8.646 9.598 -0.952 17729
2853 1 13 . 1 1 19 19 ARG N N 9 122.698 122.698 124.019 -1.321 17729
2854 1 13 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.536 0.013 17729
2855 1 13 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.864 0.933 17729
2856 1 13 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.767 0.811 17729
2857 1 13 . 1 1 19 19 ARG H H 9 9.373 9.373 8.153 1.220 17729
2858 1 13 . 1 1 20 20 ASN N N 10 122.244 122.244 118.849 3.395 17729
2859 1 13 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.684 0.268 17729
2860 1 13 . 1 1 20 20 ASN CA C 10 49.964 49.964 52.265 -2.301 17729
2861 1 13 . 1 1 20 20 ASN CB C 10 38.555 38.555 39.746 -1.191 17729
2862 1 13 . 1 1 20 20 ASN H H 10 7.651 7.651 7.841 -0.190 17729
2863 1 13 . 1 1 21 21 GLU N N 11 118.795 118.795 117.884 0.911 17729
2864 1 13 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.905 0.017 17729
2865 1 13 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.945 -0.159 17729
2866 1 13 . 1 1 21 21 GLU CB C 11 28.995 28.995 29.012 -0.017 17729
2867 1 13 . 1 1 21 21 GLU H H 11 8.889 8.889 8.710 0.179 17729
2868 1 13 . 1 1 22 22 GLU N N 12 116.576 116.576 118.652 -2.076 17729
2869 1 13 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.111 0.011 17729
2870 1 13 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.317 -0.087 17729
2871 1 13 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.915 -0.526 17729
2872 1 13 . 1 1 22 22 GLU H H 12 7.280 7.280 8.372 -1.092 17729
2873 1 13 . 1 1 23 23 GLY N N 13 106.901 106.901 107.602 -0.701 17729
2874 1 13 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.263 -0.128 17729
2875 1 13 . 1 1 23 23 GLY H H 13 7.732 7.732 7.524 0.208 17729
2876 1 13 . 1 1 24 24 GLN N N 14 121.137 121.137 118.184 2.953 17729
2877 1 13 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.409 -0.283 17729
2878 1 13 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.744 0.365 17729
2879 1 13 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.011 -0.916 17729
2880 1 13 . 1 1 24 24 GLN H H 14 7.737 7.737 7.752 -0.015 17729
2881 1 13 . 1 1 25 25 THR N N 15 109.710 109.710 109.376 0.334 17729
2882 1 13 . 1 1 25 25 THR HA H 15 5.829 5.829 6.033 -0.204 17729
2883 1 13 . 1 1 25 25 THR CA C 15 60.280 60.280 59.705 0.575 17729
2884 1 13 . 1 1 25 25 THR CB C 15 73.126 73.126 71.411 1.715 17729
2885 1 13 . 1 1 25 25 THR H H 15 8.351 8.351 8.431 -0.080 17729
2886 1 13 . 1 1 26 26 TRP N N 16 122.132 122.132 125.445 -3.313 17729
2887 1 13 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.132 0.143 17729
2888 1 13 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.492 0.146 17729
2889 1 13 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.660 -0.394 17729
2890 1 13 . 1 1 26 26 TRP H H 16 9.480 9.480 8.893 0.587 17729
2891 1 13 . 1 1 27 27 SER N N 17 124.023 124.023 122.364 1.659 17729
2892 1 13 . 1 1 27 27 SER HA H 17 4.231 4.231 4.618 -0.387 17729
2893 1 13 . 1 1 27 27 SER CA C 17 59.522 59.522 60.396 -0.874 17729
2894 1 13 . 1 1 27 27 SER CB C 17 64.161 64.161 64.026 0.135 17729
2895 1 13 . 1 1 27 27 SER H H 17 8.802 8.802 8.877 -0.075 17729
2896 1 13 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.005 0.223 17729
2897 1 13 . 1 1 29 29 VAL N N 19 117.282 117.282 119.374 -2.092 17729
2898 1 13 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.357 -0.558 17729
2899 1 13 . 1 1 29 29 VAL CA C 19 60.724 60.724 60.763 -0.039 17729
2900 1 13 . 1 1 29 29 VAL CB C 19 34.256 34.256 34.615 -0.360 17729
2901 1 13 . 1 1 29 29 VAL H H 19 6.540 6.540 7.373 -0.834 17729
2902 1 13 . 1 1 30 30 GLY N N 20 111.415 111.415 111.395 0.020 17729
2903 1 13 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.845 -0.227 17729
2904 1 13 . 1 1 30 30 GLY H H 20 8.348 8.348 8.709 -0.361 17729
2905 1 13 . 1 1 31 31 ARG N N 21 118.607 118.607 120.439 -1.832 17729
2906 1 13 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.956 -0.358 17729
2907 1 13 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.266 0.154 17729
2908 1 13 . 1 1 31 31 ARG H H 21 6.840 6.840 8.575 -1.735 17729
2909 1 13 . 1 1 32 32 GLN N N 22 119.299 119.299 116.918 2.381 17729
2910 1 13 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.729 -1.027 17729
2911 1 13 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.849 -0.069 17729
2912 1 13 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.225 -3.055 17729
2913 1 13 . 1 1 32 32 GLN H H 22 6.214 6.214 8.113 -1.899 17729
2914 1 13 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.234 0.153 17729
2915 1 13 . 1 1 33 33 PRO CA C 23 60.514 60.514 62.012 -1.498 17729
2916 1 13 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.173 0.009 17729
2917 1 13 . 1 1 34 34 ARG N N 24 123.469 123.469 120.562 2.907 17729
2918 1 13 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.937 -0.455 17729
2919 1 13 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.758 1.106 17729
2920 1 13 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.795 -0.317 17729
2921 1 13 . 1 1 34 34 ARG H H 24 9.154 9.154 8.652 0.502 17729
2922 1 13 . 1 1 35 35 TRP N N 25 113.687 113.687 117.739 -4.052 17729
2923 1 13 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.531 -0.437 17729
2924 1 13 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.692 1.881 17729
2925 1 13 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.416 -1.391 17729
2926 1 13 . 1 1 35 35 TRP H H 25 7.813 7.813 7.514 0.299 17729
2927 1 13 . 1 1 36 36 LEU N N 26 125.176 125.176 123.194 1.982 17729
2928 1 13 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.625 -0.341 17729
2929 1 13 . 1 1 36 36 LEU CA C 26 56.386 56.386 58.086 -1.700 17729
2930 1 13 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.783 -0.475 17729
2931 1 13 . 1 1 36 36 LEU H H 26 5.622 5.622 6.901 -1.279 17729
2932 1 13 . 1 1 37 37 LYS N N 27 119.347 119.347 117.538 1.809 17729
2933 1 13 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.949 -0.483 17729
2934 1 13 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.092 0.585 17729
2935 1 13 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.800 -0.223 17729
2936 1 13 . 1 1 37 37 LYS H H 27 7.264 7.264 7.612 -0.348 17729
2937 1 13 . 1 1 38 38 GLU N N 28 116.166 116.166 120.129 -3.963 17729
2938 1 13 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.057 -0.319 17729
2939 1 13 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.952 0.193 17729
2940 1 13 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.010 0.170 17729
2941 1 13 . 1 1 38 38 GLU H H 28 8.355 8.355 7.596 0.759 17729
2942 1 13 . 1 1 39 39 ALA N N 29 122.540 122.540 121.107 1.433 17729
2943 1 13 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.172 0.015 17729
2944 1 13 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.695 0.669 17729
2945 1 13 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.639 -0.134 17729
2946 1 13 . 1 1 39 39 ALA H H 29 7.220 7.220 8.230 -1.010 17729
2947 1 13 . 1 1 40 40 LEU N N 30 119.110 119.110 120.591 -1.481 17729
2948 1 13 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.720 -0.503 17729
2949 1 13 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.546 -0.294 17729
2950 1 13 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.694 -2.501 17729
2951 1 13 . 1 1 40 40 LEU H H 30 8.143 8.143 7.715 0.428 17729
2952 1 13 . 1 1 41 41 LEU N N 31 121.655 121.655 115.690 5.965 17729
2953 1 13 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.203 -0.161 17729
2954 1 13 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.887 0.360 17729
2955 1 13 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.105 0.555 17729
2956 1 13 . 1 1 41 41 LEU H H 31 7.754 7.754 8.309 -0.555 17729
2957 1 13 . 1 1 42 42 ASN N N 32 116.379 116.379 117.315 -0.936 17729
2958 1 13 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.617 0.129 17729
2959 1 13 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.064 -1.012 17729
2960 1 13 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.262 -0.025 17729
2961 1 13 . 1 1 42 42 ASN H H 32 7.475 7.475 7.852 -0.377 17729
2962 1 13 . 1 1 43 43 GLY N N 33 106.130 106.130 107.146 -1.016 17729
2963 1 13 . 1 1 43 43 GLY CA C 33 45.811 45.811 45.092 0.719 17729
2964 1 13 . 1 1 43 43 GLY H H 33 7.674 7.674 7.871 -0.197 17729
2965 1 13 . 1 1 44 44 MET N N 34 118.621 118.621 116.595 2.026 17729
2966 1 13 . 1 1 44 44 MET HA H 34 4.527 4.527 4.938 -0.411 17729
2967 1 13 . 1 1 44 44 MET CA C 34 55.077 55.077 53.747 1.330 17729
2968 1 13 . 1 1 44 44 MET CB C 34 32.646 32.646 35.895 -3.248 17729
2969 1 13 . 1 1 44 44 MET H H 34 7.731 7.731 7.316 0.415 17729
2970 1 13 . 1 1 45 45 LYS N N 35 117.415 117.415 120.340 -2.925 17729
2971 1 13 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.663 0.010 17729
2972 1 13 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.537 -1.420 17729
2973 1 13 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.637 1.200 17729
2974 1 13 . 1 1 45 45 LYS H H 35 8.594 8.594 8.378 0.216 17729
2975 1 13 . 1 1 46 46 LYS N N 36 122.938 122.938 120.701 2.237 17729
2976 1 13 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.063 0.753 17729
2977 1 13 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.774 2.545 17729
2978 1 13 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.486 0.747 17729
2979 1 13 . 1 1 46 46 LYS H H 36 9.050 9.050 8.790 0.260 17729
2980 1 13 . 1 1 47 47 GLU N N 37 114.163 114.163 119.580 -5.417 17729
2981 1 13 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.025 0.024 17729
2982 1 13 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.072 0.666 17729
2983 1 13 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.567 -0.037 17729
2984 1 13 . 1 1 47 47 GLU H H 37 9.129 9.129 8.606 0.523 17729
2985 1 13 . 1 1 48 48 ASP N N 38 119.868 119.868 119.014 0.854 17729
2986 1 13 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.475 -0.273 17729
2987 1 13 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.100 -0.200 17729
2988 1 13 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.519 -1.339 17729
2989 1 13 . 1 1 48 48 ASP H H 38 7.829 7.829 7.790 0.039 17729
2990 1 13 . 1 1 49 49 PHE N N 39 116.115 116.115 113.023 3.092 17729
2991 1 13 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.960 -0.215 17729
2992 1 13 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.018 2.446 17729
2993 1 13 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.645 1.751 17729
2994 1 13 . 1 1 49 49 PHE H H 39 7.909 7.909 6.904 1.005 17729
2995 1 13 . 1 1 50 50 LEU N N 40 122.224 122.224 125.615 -3.391 17729
2996 1 13 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.370 -0.474 17729
2997 1 13 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.084 2.113 17729
2998 1 13 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.101 1.489 17729
2999 1 13 . 1 1 50 50 LEU H H 40 6.974 6.974 7.286 -0.312 17729
3000 1 13 . 1 1 51 51 VAL N N 41 127.077 127.077 123.855 3.222 17729
3001 1 13 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.562 -0.700 17729
3002 1 13 . 1 1 51 51 VAL CA C 41 61.739 61.739 59.950 1.789 17729
3003 1 13 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.837 -1.504 17729
3004 1 13 . 1 1 51 51 VAL H H 41 8.648 8.648 8.415 0.233 17729
3005 1 13 . 1 1 52 52 LYS N N 42 123.896 123.896 121.327 2.569 17729
3006 1 13 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.554 -0.167 17729
3007 1 13 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.459 0.882 17729
3008 1 13 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.915 -1.102 17729
3009 1 13 . 1 1 52 52 LYS H H 42 8.077 8.077 7.671 0.406 17729
3010 1 13 . 1 1 53 53 ASP N N 43 122.944 122.944 118.951 3.993 17729
3011 1 13 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.477 0.057 17729
3012 1 13 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.777 -2.450 17729
3013 1 13 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.296 -0.158 17729
3014 1 13 . 1 1 53 53 ASP H H 43 8.332 8.332 8.356 -0.024 17729
3015 1 13 . 1 1 54 54 THR N N 44 113.734 113.734 108.413 5.321 17729
3016 1 13 . 1 1 54 54 THR HA H 44 4.184 4.184 4.394 -0.210 17729
3017 1 13 . 1 1 54 54 THR CA C 44 61.564 61.564 60.846 0.718 17729
3018 1 13 . 1 1 54 54 THR CB C 44 69.719 69.719 71.097 -1.378 17729
3019 1 13 . 1 1 54 54 THR H H 44 7.950 7.950 7.422 0.528 17729
3020 1 13 . 1 1 55 55 GLU N N 45 122.650 122.650 117.231 5.419 17729
3021 1 13 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.872 0.291 17729
3022 1 13 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.411 -0.984 17729
3023 1 13 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.091 2.086 17729
3024 1 13 . 1 1 55 55 GLU H H 45 8.289 8.289 8.795 -0.506 17729
3025 1 13 . 1 1 56 56 GLU N N 46 121.892 121.892 118.729 3.163 17729
3026 1 13 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.422 -0.277 17729
3027 1 13 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.983 0.372 17729
3028 1 13 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.407 0.035 17729
3029 1 13 . 1 1 56 56 GLU H H 46 8.192 8.192 8.185 0.007 17729
3030 1 14 . 1 1 7 7 HIS N N -3 120.845 120.845 110.000 10.845 17729
3031 1 14 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.355 0.177 17729
3032 1 14 . 1 1 7 7 HIS CA C -3 55.523 55.523 57.008 -1.485 17729
3033 1 14 . 1 1 7 7 HIS CB C -3 29.612 29.612 27.115 2.497 17729
3034 1 14 . 1 1 7 7 HIS H H -3 8.599 8.599 8.613 -0.014 17729
3035 1 14 . 1 1 8 8 SER N N -2 117.754 117.754 114.071 3.683 17729
3036 1 14 . 1 1 8 8 SER HA H -2 4.295 4.295 4.419 -0.124 17729
3037 1 14 . 1 1 8 8 SER CA C -2 58.301 58.301 60.010 -1.709 17729
3038 1 14 . 1 1 8 8 SER CB C -2 63.759 63.759 64.333 -0.574 17729
3039 1 14 . 1 1 8 8 SER H H -2 8.407 8.407 7.479 0.928 17729
3040 1 14 . 1 1 9 9 MET N N -1 122.201 122.201 119.443 2.758 17729
3041 1 14 . 1 1 9 9 MET HA H -1 4.371 4.371 4.077 0.294 17729
3042 1 14 . 1 1 9 9 MET CA C -1 55.513 55.513 56.751 -1.238 17729
3043 1 14 . 1 1 9 9 MET CB C -1 32.610 32.610 31.247 1.363 17729
3044 1 14 . 1 1 9 9 MET H H -1 8.467 8.467 8.148 0.319 17729
3045 1 14 . 1 1 10 10 GLY N N 0 109.518 109.518 110.060 -0.542 17729
3046 1 14 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.054 0.313 17729
3047 1 14 . 1 1 10 10 GLY H H 0 8.303 8.303 8.313 -0.010 17729
3048 1 14 . 1 1 11 11 ASN N N 1 118.803 118.803 120.640 -1.837 17729
3049 1 14 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.871 -0.265 17729
3050 1 14 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.410 -0.154 17729
3051 1 14 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.382 -1.488 17729
3052 1 14 . 1 1 11 11 ASN H H 1 8.275 8.275 8.375 -0.100 17729
3053 1 14 . 1 1 12 12 SER N N 2 115.840 115.840 119.304 -3.464 17729
3054 1 14 . 1 1 12 12 SER HA H 2 4.310 4.310 4.635 -0.325 17729
3055 1 14 . 1 1 12 12 SER CA C 2 58.559 58.559 57.883 0.676 17729
3056 1 14 . 1 1 12 12 SER CB C 2 63.659 63.659 64.264 -0.605 17729
3057 1 14 . 1 1 12 12 SER H H 2 8.224 8.224 8.532 -0.308 17729
3058 1 14 . 1 1 13 13 SER N N 3 117.557 117.557 115.609 1.948 17729
3059 1 14 . 1 1 13 13 SER HA H 3 4.304 4.304 4.599 -0.295 17729
3060 1 14 . 1 1 13 13 SER CA C 3 58.541 58.541 58.801 -0.260 17729
3061 1 14 . 1 1 13 13 SER CB C 3 63.661 63.661 64.010 -0.349 17729
3062 1 14 . 1 1 13 13 SER H H 3 8.228 8.228 8.519 -0.291 17729
3063 1 14 . 1 1 14 14 LYS N N 4 122.301 122.301 121.296 1.005 17729
3064 1 14 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.508 -0.327 17729
3065 1 14 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.085 1.398 17729
3066 1 14 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.868 -3.086 17729
3067 1 14 . 1 1 14 14 LYS H H 4 8.192 8.192 7.454 0.738 17729
3068 1 14 . 1 1 15 15 GLY N N 5 109.122 109.122 109.808 -0.686 17729
3069 1 14 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.824 -0.281 17729
3070 1 14 . 1 1 15 15 GLY H H 5 8.275 8.275 8.432 -0.157 17729
3071 1 14 . 1 1 16 16 VAL N N 6 117.135 117.135 125.826 -8.691 17729
3072 1 14 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.179 0.236 17729
3073 1 14 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.849 0.924 17729
3074 1 14 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.471 -0.641 17729
3075 1 14 . 1 1 16 16 VAL H H 6 7.522 7.522 7.658 -0.136 17729
3076 1 14 . 1 1 17 17 TYR N N 7 120.317 120.317 123.310 -2.993 17729
3077 1 14 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.199 -0.818 17729
3078 1 14 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.177 1.315 17729
3079 1 14 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.168 -1.037 17729
3080 1 14 . 1 1 17 17 TYR H H 7 7.929 7.929 8.368 -0.439 17729
3081 1 14 . 1 1 18 18 TYR N N 8 117.105 117.105 119.492 -2.387 17729
3082 1 14 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.054 0.272 17729
3083 1 14 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.711 -1.820 17729
3084 1 14 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.391 0.907 17729
3085 1 14 . 1 1 18 18 TYR H H 8 8.646 8.646 9.440 -0.794 17729
3086 1 14 . 1 1 19 19 ARG N N 9 122.698 122.698 126.107 -3.409 17729
3087 1 14 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.261 0.288 17729
3088 1 14 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.381 0.416 17729
3089 1 14 . 1 1 19 19 ARG CB C 9 35.578 35.578 33.835 1.743 17729
3090 1 14 . 1 1 19 19 ARG H H 9 9.373 9.373 8.917 0.456 17729
3091 1 14 . 1 1 20 20 ASN N N 10 122.244 122.244 123.730 -1.486 17729
3092 1 14 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.691 0.261 17729
3093 1 14 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.206 -1.242 17729
3094 1 14 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.710 -2.155 17729
3095 1 14 . 1 1 20 20 ASN H H 10 7.651 7.651 7.763 -0.112 17729
3096 1 14 . 1 1 21 21 GLU N N 11 118.795 118.795 119.676 -0.881 17729
3097 1 14 . 1 1 21 21 GLU HA H 11 3.922 3.922 4.035 -0.113 17729
3098 1 14 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.066 -0.280 17729
3099 1 14 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.524 0.471 17729
3100 1 14 . 1 1 21 21 GLU H H 11 8.889 8.889 8.689 0.200 17729
3101 1 14 . 1 1 22 22 GLU N N 12 116.576 116.576 118.541 -1.965 17729
3102 1 14 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.070 0.052 17729
3103 1 14 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.509 -0.279 17729
3104 1 14 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.884 -0.495 17729
3105 1 14 . 1 1 22 22 GLU H H 12 7.280 7.280 8.368 -1.088 17729
3106 1 14 . 1 1 23 23 GLY N N 13 106.901 106.901 106.795 0.106 17729
3107 1 14 . 1 1 23 23 GLY CA C 13 45.135 45.135 44.923 0.212 17729
3108 1 14 . 1 1 23 23 GLY H H 13 7.732 7.732 7.702 0.030 17729
3109 1 14 . 1 1 24 24 GLN N N 14 121.137 121.137 119.491 1.646 17729
3110 1 14 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.360 -0.234 17729
3111 1 14 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.888 0.221 17729
3112 1 14 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.996 -0.901 17729
3113 1 14 . 1 1 24 24 GLN H H 14 7.737 7.737 7.866 -0.129 17729
3114 1 14 . 1 1 25 25 THR N N 15 109.710 109.710 111.122 -1.412 17729
3115 1 14 . 1 1 25 25 THR HA H 15 5.829 5.829 5.722 0.107 17729
3116 1 14 . 1 1 25 25 THR CA C 15 60.280 60.280 60.569 -0.289 17729
3117 1 14 . 1 1 25 25 THR CB C 15 73.126 73.126 70.932 2.194 17729
3118 1 14 . 1 1 25 25 THR H H 15 8.351 8.351 8.336 0.015 17729
3119 1 14 . 1 1 26 26 TRP N N 16 122.132 122.132 126.365 -4.233 17729
3120 1 14 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.247 0.028 17729
3121 1 14 . 1 1 26 26 TRP CA C 16 56.638 56.638 55.439 1.199 17729
3122 1 14 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.105 1.161 17729
3123 1 14 . 1 1 26 26 TRP H H 16 9.480 9.480 9.593 -0.113 17729
3124 1 14 . 1 1 27 27 SER N N 17 124.023 124.023 125.309 -1.286 17729
3125 1 14 . 1 1 27 27 SER HA H 17 4.231 4.231 4.313 -0.082 17729
3126 1 14 . 1 1 27 27 SER CA C 17 59.522 59.522 60.480 -0.959 17729
3127 1 14 . 1 1 27 27 SER CB C 17 64.161 64.161 63.366 0.795 17729
3128 1 14 . 1 1 27 27 SER H H 17 8.802 8.802 9.152 -0.350 17729
3129 1 14 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.108 0.120 17729
3130 1 14 . 1 1 29 29 VAL N N 19 117.282 117.282 119.133 -1.851 17729
3131 1 14 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.222 -0.423 17729
3132 1 14 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.489 -0.765 17729
3133 1 14 . 1 1 29 29 VAL CB C 19 34.256 34.256 32.874 1.382 17729
3134 1 14 . 1 1 29 29 VAL H H 19 6.540 6.540 7.434 -0.894 17729
3135 1 14 . 1 1 30 30 GLY N N 20 111.415 111.415 115.759 -4.344 17729
3136 1 14 . 1 1 30 30 GLY CA C 20 44.618 44.618 46.512 -1.894 17729
3137 1 14 . 1 1 30 30 GLY H H 20 8.348 8.348 8.488 -0.140 17729
3138 1 14 . 1 1 31 31 ARG N N 21 118.607 118.607 123.874 -5.267 17729
3139 1 14 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.635 -1.037 17729
3140 1 14 . 1 1 31 31 ARG CA C 21 57.420 57.420 54.952 2.468 17729
3141 1 14 . 1 1 31 31 ARG H H 21 6.840 6.840 8.777 -1.937 17729
3142 1 14 . 1 1 32 32 GLN N N 22 119.299 119.299 117.346 1.953 17729
3143 1 14 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.857 -1.155 17729
3144 1 14 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.338 0.442 17729
3145 1 14 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.411 -2.241 17729
3146 1 14 . 1 1 32 32 GLN H H 22 6.214 6.214 8.313 -2.099 17729
3147 1 14 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.258 0.129 17729
3148 1 14 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.697 -1.183 17729
3149 1 14 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.218 -0.035 17729
3150 1 14 . 1 1 34 34 ARG N N 24 123.469 123.469 118.090 5.379 17729
3151 1 14 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.911 -0.429 17729
3152 1 14 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.869 -0.005 17729
3153 1 14 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.949 -0.471 17729
3154 1 14 . 1 1 34 34 ARG H H 24 9.154 9.154 8.692 0.462 17729
3155 1 14 . 1 1 35 35 TRP N N 25 113.687 113.687 117.247 -3.560 17729
3156 1 14 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.403 -0.309 17729
3157 1 14 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.564 1.009 17729
3158 1 14 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.738 -0.713 17729
3159 1 14 . 1 1 35 35 TRP H H 25 7.813 7.813 7.986 -0.173 17729
3160 1 14 . 1 1 36 36 LEU N N 26 125.176 125.176 122.476 2.700 17729
3161 1 14 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.693 -0.409 17729
3162 1 14 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.583 -1.197 17729
3163 1 14 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.596 -0.288 17729
3164 1 14 . 1 1 36 36 LEU H H 26 5.622 5.622 6.586 -0.964 17729
3165 1 14 . 1 1 37 37 LYS N N 27 119.347 119.347 119.144 0.203 17729
3166 1 14 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.849 -0.383 17729
3167 1 14 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.540 0.137 17729
3168 1 14 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.237 -0.660 17729
3169 1 14 . 1 1 37 37 LYS H H 27 7.264 7.264 7.432 -0.168 17729
3170 1 14 . 1 1 38 38 GLU N N 28 116.166 116.166 118.873 -2.707 17729
3171 1 14 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.028 -0.290 17729
3172 1 14 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.839 0.306 17729
3173 1 14 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.039 0.141 17729
3174 1 14 . 1 1 38 38 GLU H H 28 8.355 8.355 7.695 0.660 17729
3175 1 14 . 1 1 39 39 ALA N N 29 122.540 122.540 121.106 1.434 17729
3176 1 14 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.113 0.074 17729
3177 1 14 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.658 0.706 17729
3178 1 14 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.468 0.037 17729
3179 1 14 . 1 1 39 39 ALA H H 29 7.220 7.220 8.291 -1.071 17729
3180 1 14 . 1 1 40 40 LEU N N 30 119.110 119.110 120.596 -1.486 17729
3181 1 14 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.572 -0.355 17729
3182 1 14 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.996 -0.744 17729
3183 1 14 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.628 -2.435 17729
3184 1 14 . 1 1 40 40 LEU H H 30 8.143 8.143 7.705 0.438 17729
3185 1 14 . 1 1 41 41 LEU N N 31 121.655 121.655 115.425 6.230 17729
3186 1 14 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.210 -0.168 17729
3187 1 14 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.867 0.380 17729
3188 1 14 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.144 0.516 17729
3189 1 14 . 1 1 41 41 LEU H H 31 7.754 7.754 8.234 -0.480 17729
3190 1 14 . 1 1 42 42 ASN N N 32 116.379 116.379 117.540 -1.161 17729
3191 1 14 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.598 0.148 17729
3192 1 14 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.062 -1.010 17729
3193 1 14 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.212 0.025 17729
3194 1 14 . 1 1 42 42 ASN H H 32 7.475 7.475 7.852 -0.377 17729
3195 1 14 . 1 1 43 43 GLY N N 33 106.130 106.130 107.339 -1.209 17729
3196 1 14 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.848 0.963 17729
3197 1 14 . 1 1 43 43 GLY H H 33 7.674 7.674 7.783 -0.109 17729
3198 1 14 . 1 1 44 44 MET N N 34 118.621 118.621 118.437 0.184 17729
3199 1 14 . 1 1 44 44 MET HA H 34 4.527 4.527 4.979 -0.452 17729
3200 1 14 . 1 1 44 44 MET CA C 34 55.077 55.077 54.760 0.317 17729
3201 1 14 . 1 1 44 44 MET CB C 34 32.646 32.646 35.499 -2.853 17729
3202 1 14 . 1 1 44 44 MET H H 34 7.731 7.731 7.449 0.282 17729
3203 1 14 . 1 1 45 45 LYS N N 35 117.415 117.415 120.908 -3.493 17729
3204 1 14 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.630 0.043 17729
3205 1 14 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.660 -1.543 17729
3206 1 14 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.745 1.092 17729
3207 1 14 . 1 1 45 45 LYS H H 35 8.594 8.594 8.507 0.087 17729
3208 1 14 . 1 1 46 46 LYS N N 36 122.938 122.938 121.117 1.821 17729
3209 1 14 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.014 0.802 17729
3210 1 14 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.750 2.569 17729
3211 1 14 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.391 0.842 17729
3212 1 14 . 1 1 46 46 LYS H H 36 9.050 9.050 8.839 0.211 17729
3213 1 14 . 1 1 47 47 GLU N N 37 114.163 114.163 118.199 -4.036 17729
3214 1 14 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.182 -0.133 17729
3215 1 14 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.634 1.104 17729
3216 1 14 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.496 0.034 17729
3217 1 14 . 1 1 47 47 GLU H H 37 9.129 9.129 8.722 0.407 17729
3218 1 14 . 1 1 48 48 ASP N N 38 119.868 119.868 119.521 0.347 17729
3219 1 14 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.256 -0.054 17729
3220 1 14 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.136 -0.236 17729
3221 1 14 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.203 -1.023 17729
3222 1 14 . 1 1 48 48 ASP H H 38 7.829 7.829 7.844 -0.015 17729
3223 1 14 . 1 1 49 49 PHE N N 39 116.115 116.115 113.901 2.214 17729
3224 1 14 . 1 1 49 49 PHE HA H 39 4.745 4.745 5.076 -0.331 17729
3225 1 14 . 1 1 49 49 PHE CA C 39 57.464 57.464 54.870 2.595 17729
3226 1 14 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.164 2.232 17729
3227 1 14 . 1 1 49 49 PHE H H 39 7.909 7.909 7.153 0.756 17729
3228 1 14 . 1 1 50 50 LEU N N 40 122.224 122.224 122.628 -0.404 17729
3229 1 14 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.286 -0.390 17729
3230 1 14 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.504 1.693 17729
3231 1 14 . 1 1 50 50 LEU CB C 40 43.590 43.590 43.127 0.463 17729
3232 1 14 . 1 1 50 50 LEU H H 40 6.974 6.974 7.376 -0.402 17729
3233 1 14 . 1 1 51 51 VAL N N 41 127.077 127.077 126.001 1.076 17729
3234 1 14 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.496 -0.634 17729
3235 1 14 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.085 1.654 17729
3236 1 14 . 1 1 51 51 VAL CB C 41 33.333 33.333 36.151 -2.818 17729
3237 1 14 . 1 1 51 51 VAL H H 41 8.648 8.648 8.945 -0.297 17729
3238 1 14 . 1 1 52 52 LYS N N 42 123.896 123.896 125.062 -1.166 17729
3239 1 14 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.613 -0.226 17729
3240 1 14 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.001 1.341 17729
3241 1 14 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.827 -1.014 17729
3242 1 14 . 1 1 52 52 LYS H H 42 8.077 8.077 8.433 -0.356 17729
3243 1 14 . 1 1 53 53 ASP N N 43 122.944 122.944 118.763 4.181 17729
3244 1 14 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.448 0.086 17729
3245 1 14 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.015 -1.688 17729
3246 1 14 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.398 -0.259 17729
3247 1 14 . 1 1 53 53 ASP H H 43 8.332 8.332 8.376 -0.044 17729
3248 1 14 . 1 1 54 54 THR N N 44 113.734 113.734 113.130 0.604 17729
3249 1 14 . 1 1 54 54 THR HA H 44 4.184 4.184 4.361 -0.177 17729
3250 1 14 . 1 1 54 54 THR CA C 44 61.564 61.564 61.579 -0.015 17729
3251 1 14 . 1 1 54 54 THR CB C 44 69.719 69.719 69.793 -0.074 17729
3252 1 14 . 1 1 54 54 THR H H 44 7.950 7.950 7.591 0.359 17729
3253 1 14 . 1 1 55 55 GLU N N 45 122.650 122.650 123.709 -1.059 17729
3254 1 14 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.951 0.212 17729
3255 1 14 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.241 -0.814 17729
3256 1 14 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.858 2.319 17729
3257 1 14 . 1 1 55 55 GLU H H 45 8.289 8.289 8.699 -0.410 17729
3258 1 14 . 1 1 56 56 GLU N N 46 121.892 121.892 119.488 2.404 17729
3259 1 14 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.427 -0.282 17729
3260 1 14 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.329 1.026 17729
3261 1 14 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.961 -0.519 17729
3262 1 14 . 1 1 56 56 GLU H H 46 8.192 8.192 8.296 -0.104 17729
3263 1 15 . 1 1 7 7 HIS N N -3 120.845 120.845 127.099 -6.254 17729
3264 1 15 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.594 -0.062 17729
3265 1 15 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.351 0.172 17729
3266 1 15 . 1 1 7 7 HIS CB C -3 29.612 29.612 31.346 -1.734 17729
3267 1 15 . 1 1 7 7 HIS H H -3 8.599 8.599 8.199 0.400 17729
3268 1 15 . 1 1 8 8 SER N N -2 117.754 117.754 120.419 -2.665 17729
3269 1 15 . 1 1 8 8 SER HA H -2 4.295 4.295 4.219 0.076 17729
3270 1 15 . 1 1 8 8 SER CA C -2 58.301 58.301 59.888 -1.587 17729
3271 1 15 . 1 1 8 8 SER CB C -2 63.759 63.759 63.566 0.193 17729
3272 1 15 . 1 1 8 8 SER H H -2 8.407 8.407 8.264 0.143 17729
3273 1 15 . 1 1 9 9 MET N N -1 122.201 122.201 115.513 6.688 17729
3274 1 15 . 1 1 9 9 MET HA H -1 4.371 4.371 4.641 -0.270 17729
3275 1 15 . 1 1 9 9 MET CA C -1 55.513 55.513 55.125 0.388 17729
3276 1 15 . 1 1 9 9 MET CB C -1 32.610 32.610 35.443 -2.833 17729
3277 1 15 . 1 1 9 9 MET H H -1 8.467 8.467 7.471 0.996 17729
3278 1 15 . 1 1 10 10 GLY N N 0 109.518 109.518 107.934 1.584 17729
3279 1 15 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.314 0.053 17729
3280 1 15 . 1 1 10 10 GLY H H 0 8.303 8.303 8.329 -0.026 17729
3281 1 15 . 1 1 11 11 ASN N N 1 118.803 118.803 120.043 -1.240 17729
3282 1 15 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.992 -0.386 17729
3283 1 15 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.010 0.246 17729
3284 1 15 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.008 -1.114 17729
3285 1 15 . 1 1 11 11 ASN H H 1 8.275 8.275 8.471 -0.196 17729
3286 1 15 . 1 1 12 12 SER N N 2 115.840 115.840 116.312 -0.472 17729
3287 1 15 . 1 1 12 12 SER HA H 2 4.310 4.310 4.659 -0.349 17729
3288 1 15 . 1 1 12 12 SER CA C 2 58.559 58.559 58.653 -0.094 17729
3289 1 15 . 1 1 12 12 SER CB C 2 63.659 63.659 63.201 0.458 17729
3290 1 15 . 1 1 12 12 SER H H 2 8.224 8.224 8.236 -0.012 17729
3291 1 15 . 1 1 13 13 SER N N 3 117.557 117.557 118.309 -0.752 17729
3292 1 15 . 1 1 13 13 SER HA H 3 4.304 4.304 4.237 0.068 17729
3293 1 15 . 1 1 13 13 SER CA C 3 58.541 58.541 58.446 0.095 17729
3294 1 15 . 1 1 13 13 SER CB C 3 63.661 63.661 63.456 0.205 17729
3295 1 15 . 1 1 13 13 SER H H 3 8.228 8.228 7.598 0.630 17729
3296 1 15 . 1 1 14 14 LYS N N 4 122.301 122.301 124.346 -2.045 17729
3297 1 15 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.113 0.068 17729
3298 1 15 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.420 0.063 17729
3299 1 15 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.405 0.377 17729
3300 1 15 . 1 1 14 14 LYS H H 4 8.192 8.192 8.308 -0.116 17729
3301 1 15 . 1 1 15 15 GLY N N 5 109.122 109.122 107.821 1.301 17729
3302 1 15 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.205 0.338 17729
3303 1 15 . 1 1 15 15 GLY H H 5 8.275 8.275 8.361 -0.086 17729
3304 1 15 . 1 1 16 16 VAL N N 6 117.135 117.135 121.135 -4.000 17729
3305 1 15 . 1 1 16 16 VAL HA H 6 4.415 4.415 3.809 0.606 17729
3306 1 15 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.564 1.209 17729
3307 1 15 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.136 -0.305 17729
3308 1 15 . 1 1 16 16 VAL H H 6 7.522 7.522 7.538 -0.017 17729
3309 1 15 . 1 1 17 17 TYR N N 7 120.317 120.317 116.381 3.936 17729
3310 1 15 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.250 -0.869 17729
3311 1 15 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.508 0.984 17729
3312 1 15 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.635 -1.504 17729
3313 1 15 . 1 1 17 17 TYR H H 7 7.929 7.929 8.545 -0.616 17729
3314 1 15 . 1 1 18 18 TYR N N 8 117.105 117.105 119.910 -2.805 17729
3315 1 15 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.273 0.053 17729
3316 1 15 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.682 -1.791 17729
3317 1 15 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.211 1.087 17729
3318 1 15 . 1 1 18 18 TYR H H 8 8.646 8.646 9.156 -0.510 17729
3319 1 15 . 1 1 19 19 ARG N N 9 122.698 122.698 123.686 -0.988 17729
3320 1 15 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.351 0.198 17729
3321 1 15 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.001 0.796 17729
3322 1 15 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.497 1.081 17729
3323 1 15 . 1 1 19 19 ARG H H 9 9.373 9.373 8.599 0.774 17729
3324 1 15 . 1 1 20 20 ASN N N 10 122.244 122.244 120.409 1.835 17729
3325 1 15 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.651 0.301 17729
3326 1 15 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.512 -1.548 17729
3327 1 15 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.650 -2.095 17729
3328 1 15 . 1 1 20 20 ASN H H 10 7.651 7.651 7.700 -0.049 17729
3329 1 15 . 1 1 21 21 GLU N N 11 118.795 118.795 119.890 -1.095 17729
3330 1 15 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.947 -0.025 17729
3331 1 15 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.605 0.181 17729
3332 1 15 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.615 0.380 17729
3333 1 15 . 1 1 21 21 GLU H H 11 8.889 8.889 8.654 0.235 17729
3334 1 15 . 1 1 22 22 GLU N N 12 116.576 116.576 119.038 -2.462 17729
3335 1 15 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.079 0.043 17729
3336 1 15 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.563 -0.334 17729
3337 1 15 . 1 1 22 22 GLU CB C 12 29.389 29.389 30.052 -0.663 17729
3338 1 15 . 1 1 22 22 GLU H H 12 7.280 7.280 8.279 -0.999 17729
3339 1 15 . 1 1 23 23 GLY N N 13 106.901 106.901 107.196 -0.295 17729
3340 1 15 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.104 0.031 17729
3341 1 15 . 1 1 23 23 GLY H H 13 7.732 7.732 7.583 0.149 17729
3342 1 15 . 1 1 24 24 GLN N N 14 121.137 121.137 119.471 1.666 17729
3343 1 15 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.367 -0.241 17729
3344 1 15 . 1 1 24 24 GLN CA C 14 56.109 56.109 56.557 -0.448 17729
3345 1 15 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.765 -0.670 17729
3346 1 15 . 1 1 24 24 GLN H H 14 7.737 7.737 7.820 -0.083 17729
3347 1 15 . 1 1 25 25 THR N N 15 109.710 109.710 111.388 -1.678 17729
3348 1 15 . 1 1 25 25 THR HA H 15 5.829 5.829 5.808 0.021 17729
3349 1 15 . 1 1 25 25 THR CA C 15 60.280 60.280 60.552 -0.272 17729
3350 1 15 . 1 1 25 25 THR CB C 15 73.126 73.126 70.757 2.369 17729
3351 1 15 . 1 1 25 25 THR H H 15 8.351 8.351 8.381 -0.030 17729
3352 1 15 . 1 1 26 26 TRP N N 16 122.132 122.132 128.167 -6.035 17729
3353 1 15 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.108 0.167 17729
3354 1 15 . 1 1 26 26 TRP CA C 16 56.638 56.638 55.898 0.741 17729
3355 1 15 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.752 0.514 17729
3356 1 15 . 1 1 26 26 TRP H H 16 9.480 9.480 9.170 0.310 17729
3357 1 15 . 1 1 27 27 SER N N 17 124.023 124.023 123.884 0.139 17729
3358 1 15 . 1 1 27 27 SER HA H 17 4.231 4.231 4.736 -0.505 17729
3359 1 15 . 1 1 27 27 SER CA C 17 59.522 59.522 59.974 -0.452 17729
3360 1 15 . 1 1 27 27 SER CB C 17 64.161 64.161 63.730 0.431 17729
3361 1 15 . 1 1 27 27 SER H H 17 8.802 8.802 9.068 -0.266 17729
3362 1 15 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.439 -0.211 17729
3363 1 15 . 1 1 29 29 VAL N N 19 117.282 117.282 115.910 1.372 17729
3364 1 15 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.471 -0.672 17729
3365 1 15 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.827 0.897 17729
3366 1 15 . 1 1 29 29 VAL CB C 19 34.256 34.256 32.248 2.008 17729
3367 1 15 . 1 1 29 29 VAL H H 19 6.540 6.540 7.271 -0.731 17729
3368 1 15 . 1 1 30 30 GLY N N 20 111.415 111.415 111.739 -0.324 17729
3369 1 15 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.754 -1.136 17729
3370 1 15 . 1 1 30 30 GLY H H 20 8.348 8.348 8.787 -0.439 17729
3371 1 15 . 1 1 31 31 ARG N N 21 118.607 118.607 120.835 -2.228 17729
3372 1 15 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.959 -0.361 17729
3373 1 15 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.321 0.099 17729
3374 1 15 . 1 1 31 31 ARG H H 21 6.840 6.840 8.261 -1.421 17729
3375 1 15 . 1 1 32 32 GLN N N 22 119.299 119.299 117.540 1.759 17729
3376 1 15 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.826 -1.124 17729
3377 1 15 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.838 -0.058 17729
3378 1 15 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.060 -2.890 17729
3379 1 15 . 1 1 32 32 GLN H H 22 6.214 6.214 8.139 -1.925 17729
3380 1 15 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.367 0.020 17729
3381 1 15 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.716 -1.202 17729
3382 1 15 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.508 -0.326 17729
3383 1 15 . 1 1 34 34 ARG N N 24 123.469 123.469 118.427 5.042 17729
3384 1 15 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.969 -0.487 17729
3385 1 15 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.628 0.236 17729
3386 1 15 . 1 1 34 34 ARG CB C 24 29.478 29.478 30.017 -0.539 17729
3387 1 15 . 1 1 34 34 ARG H H 24 9.154 9.154 8.486 0.668 17729
3388 1 15 . 1 1 35 35 TRP N N 25 113.687 113.687 117.892 -4.205 17729
3389 1 15 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.381 -0.287 17729
3390 1 15 . 1 1 35 35 TRP CA C 25 58.573 58.573 57.347 1.226 17729
3391 1 15 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.022 -0.997 17729
3392 1 15 . 1 1 35 35 TRP H H 25 7.813 7.813 7.994 -0.181 17729
3393 1 15 . 1 1 36 36 LEU N N 26 125.176 125.176 123.216 1.960 17729
3394 1 15 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.804 -0.520 17729
3395 1 15 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.891 -1.505 17729
3396 1 15 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.922 -0.614 17729
3397 1 15 . 1 1 36 36 LEU H H 26 5.622 5.622 6.805 -1.183 17729
3398 1 15 . 1 1 37 37 LYS N N 27 119.347 119.347 117.106 2.241 17729
3399 1 15 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.970 -0.504 17729
3400 1 15 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.150 0.527 17729
3401 1 15 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.677 -0.100 17729
3402 1 15 . 1 1 37 37 LYS H H 27 7.264 7.264 7.378 -0.114 17729
3403 1 15 . 1 1 38 38 GLU N N 28 116.166 116.166 120.459 -4.293 17729
3404 1 15 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.056 -0.318 17729
3405 1 15 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.041 0.104 17729
3406 1 15 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.081 0.099 17729
3407 1 15 . 1 1 38 38 GLU H H 28 8.355 8.355 7.572 0.783 17729
3408 1 15 . 1 1 39 39 ALA N N 29 122.540 122.540 120.572 1.968 17729
3409 1 15 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.133 0.054 17729
3410 1 15 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.650 0.714 17729
3411 1 15 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.576 -0.071 17729
3412 1 15 . 1 1 39 39 ALA H H 29 7.220 7.220 7.850 -0.630 17729
3413 1 15 . 1 1 40 40 LEU N N 30 119.110 119.110 120.635 -1.525 17729
3414 1 15 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.576 -0.359 17729
3415 1 15 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.618 -0.366 17729
3416 1 15 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.580 -2.387 17729
3417 1 15 . 1 1 40 40 LEU H H 30 8.143 8.143 7.704 0.439 17729
3418 1 15 . 1 1 41 41 LEU N N 31 121.655 121.655 116.064 5.591 17729
3419 1 15 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.162 -0.120 17729
3420 1 15 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.066 0.181 17729
3421 1 15 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.241 0.419 17729
3422 1 15 . 1 1 41 41 LEU H H 31 7.754 7.754 8.244 -0.490 17729
3423 1 15 . 1 1 42 42 ASN N N 32 116.379 116.379 117.081 -0.702 17729
3424 1 15 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.620 0.126 17729
3425 1 15 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.102 -1.050 17729
3426 1 15 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.246 -0.009 17729
3427 1 15 . 1 1 42 42 ASN H H 32 7.475 7.475 7.844 -0.369 17729
3428 1 15 . 1 1 43 43 GLY N N 33 106.130 106.130 107.453 -1.323 17729
3429 1 15 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.984 0.827 17729
3430 1 15 . 1 1 43 43 GLY H H 33 7.674 7.674 7.908 -0.234 17729
3431 1 15 . 1 1 44 44 MET N N 34 118.621 118.621 118.552 0.069 17729
3432 1 15 . 1 1 44 44 MET HA H 34 4.527 4.527 4.979 -0.452 17729
3433 1 15 . 1 1 44 44 MET CA C 34 55.077 55.077 54.267 0.810 17729
3434 1 15 . 1 1 44 44 MET CB C 34 32.646 32.646 35.042 -2.396 17729
3435 1 15 . 1 1 44 44 MET H H 34 7.731 7.731 7.422 0.309 17729
3436 1 15 . 1 1 45 45 LYS N N 35 117.415 117.415 122.139 -4.724 17729
3437 1 15 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.392 0.281 17729
3438 1 15 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.577 -2.460 17729
3439 1 15 . 1 1 45 45 LYS CB C 35 34.837 34.837 32.936 1.901 17729
3440 1 15 . 1 1 45 45 LYS H H 35 8.594 8.594 8.629 -0.035 17729
3441 1 15 . 1 1 46 46 LYS N N 36 122.938 122.938 122.769 0.169 17729
3442 1 15 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.247 0.569 17729
3443 1 15 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.568 2.751 17729
3444 1 15 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.302 0.932 17729
3445 1 15 . 1 1 46 46 LYS H H 36 9.050 9.050 8.723 0.327 17729
3446 1 15 . 1 1 47 47 GLU N N 37 114.163 114.163 119.342 -5.179 17729
3447 1 15 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.219 -0.170 17729
3448 1 15 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.423 0.315 17729
3449 1 15 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.733 -0.203 17729
3450 1 15 . 1 1 47 47 GLU H H 37 9.129 9.129 8.602 0.527 17729
3451 1 15 . 1 1 48 48 ASP N N 38 119.868 119.868 119.602 0.266 17729
3452 1 15 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.614 -0.412 17729
3453 1 15 . 1 1 48 48 ASP CA C 38 56.900 56.900 56.998 -0.098 17729
3454 1 15 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.392 -1.212 17729
3455 1 15 . 1 1 48 48 ASP H H 38 7.829 7.829 7.719 0.110 17729
3456 1 15 . 1 1 49 49 PHE N N 39 116.115 116.115 113.644 2.471 17729
3457 1 15 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.913 -0.168 17729
3458 1 15 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.234 2.230 17729
3459 1 15 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.865 2.531 17729
3460 1 15 . 1 1 49 49 PHE H H 39 7.909 7.909 7.188 0.721 17729
3461 1 15 . 1 1 50 50 LEU N N 40 122.224 122.224 123.540 -1.316 17729
3462 1 15 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.424 -0.528 17729
3463 1 15 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.851 1.346 17729
3464 1 15 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.348 1.242 17729
3465 1 15 . 1 1 50 50 LEU H H 40 6.974 6.974 7.446 -0.472 17729
3466 1 15 . 1 1 51 51 VAL N N 41 127.077 127.077 125.807 1.270 17729
3467 1 15 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.342 -0.480 17729
3468 1 15 . 1 1 51 51 VAL CA C 41 61.739 61.739 58.911 2.828 17729
3469 1 15 . 1 1 51 51 VAL CB C 41 33.333 33.333 35.645 -2.312 17729
3470 1 15 . 1 1 51 51 VAL H H 41 8.648 8.648 8.980 -0.332 17729
3471 1 15 . 1 1 52 52 LYS N N 42 123.896 123.896 122.742 1.154 17729
3472 1 15 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.258 0.129 17729
3473 1 15 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.129 1.212 17729
3474 1 15 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.904 -1.091 17729
3475 1 15 . 1 1 52 52 LYS H H 42 8.077 8.077 8.461 -0.384 17729
3476 1 15 . 1 1 53 53 ASP N N 43 122.944 122.944 119.579 3.365 17729
3477 1 15 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.405 0.129 17729
3478 1 15 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.562 -2.235 17729
3479 1 15 . 1 1 53 53 ASP CB C 43 41.138 41.138 40.983 0.155 17729
3480 1 15 . 1 1 53 53 ASP H H 43 8.332 8.332 8.082 0.250 17729
3481 1 15 . 1 1 54 54 THR N N 44 113.734 113.734 112.892 0.842 17729
3482 1 15 . 1 1 54 54 THR HA H 44 4.184 4.184 4.348 -0.164 17729
3483 1 15 . 1 1 54 54 THR CA C 44 61.564 61.564 61.859 -0.295 17729
3484 1 15 . 1 1 54 54 THR CB C 44 69.719 69.719 69.293 0.426 17729
3485 1 15 . 1 1 54 54 THR H H 44 7.950 7.950 7.557 0.393 17729
3486 1 15 . 1 1 55 55 GLU N N 45 122.650 122.650 122.043 0.607 17729
3487 1 15 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.902 0.261 17729
3488 1 15 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.159 -0.732 17729
3489 1 15 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.962 2.215 17729
3490 1 15 . 1 1 55 55 GLU H H 45 8.289 8.289 8.873 -0.584 17729
3491 1 15 . 1 1 56 56 GLU N N 46 121.892 121.892 118.328 3.564 17729
3492 1 15 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.470 -0.325 17729
3493 1 15 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.788 0.567 17729
3494 1 15 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.544 -0.102 17729
3495 1 15 . 1 1 56 56 GLU H H 46 8.192 8.192 8.190 0.002 17729
3496 1 16 . 1 1 7 7 HIS N N -3 120.845 120.845 124.189 -3.344 17729
3497 1 16 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.667 -0.135 17729
3498 1 16 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.584 -0.061 17729
3499 1 16 . 1 1 7 7 HIS CB C -3 29.612 29.612 33.090 -3.478 17729
3500 1 16 . 1 1 7 7 HIS H H -3 8.599 8.599 8.246 0.353 17729
3501 1 16 . 1 1 8 8 SER N N -2 117.754 117.754 121.926 -4.172 17729
3502 1 16 . 1 1 8 8 SER HA H -2 4.295 4.295 4.179 0.116 17729
3503 1 16 . 1 1 8 8 SER CA C -2 58.301 58.301 59.845 -1.544 17729
3504 1 16 . 1 1 8 8 SER CB C -2 63.759 63.759 63.556 0.203 17729
3505 1 16 . 1 1 8 8 SER H H -2 8.407 8.407 8.325 0.082 17729
3506 1 16 . 1 1 9 9 MET N N -1 122.201 122.201 118.800 3.401 17729
3507 1 16 . 1 1 9 9 MET HA H -1 4.371 4.371 4.723 -0.352 17729
3508 1 16 . 1 1 9 9 MET CA C -1 55.513 55.513 54.623 0.890 17729
3509 1 16 . 1 1 9 9 MET CB C -1 32.610 32.610 33.506 -0.896 17729
3510 1 16 . 1 1 9 9 MET H H -1 8.467 8.467 7.248 1.219 17729
3511 1 16 . 1 1 10 10 GLY N N 0 109.518 109.518 107.825 1.693 17729
3512 1 16 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.829 0.538 17729
3513 1 16 . 1 1 10 10 GLY H H 0 8.303 8.303 8.461 -0.158 17729
3514 1 16 . 1 1 11 11 ASN N N 1 118.803 118.803 115.856 2.947 17729
3515 1 16 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.742 -0.136 17729
3516 1 16 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.887 0.369 17729
3517 1 16 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.231 -0.337 17729
3518 1 16 . 1 1 11 11 ASN H H 1 8.275 8.275 8.657 -0.382 17729
3519 1 16 . 1 1 12 12 SER N N 2 115.840 115.840 115.355 0.485 17729
3520 1 16 . 1 1 12 12 SER HA H 2 4.310 4.310 4.341 -0.031 17729
3521 1 16 . 1 1 12 12 SER CA C 2 58.559 58.559 58.974 -0.415 17729
3522 1 16 . 1 1 12 12 SER CB C 2 63.659 63.659 63.220 0.439 17729
3523 1 16 . 1 1 12 12 SER H H 2 8.224 8.224 8.119 0.105 17729
3524 1 16 . 1 1 13 13 SER N N 3 117.557 117.557 117.231 0.326 17729
3525 1 16 . 1 1 13 13 SER HA H 3 4.304 4.304 4.227 0.077 17729
3526 1 16 . 1 1 13 13 SER CA C 3 58.541 58.541 58.932 -0.391 17729
3527 1 16 . 1 1 13 13 SER CB C 3 63.661 63.661 63.560 0.101 17729
3528 1 16 . 1 1 13 13 SER H H 3 8.228 8.228 7.659 0.569 17729
3529 1 16 . 1 1 14 14 LYS N N 4 122.301 122.301 124.326 -2.025 17729
3530 1 16 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.096 0.085 17729
3531 1 16 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.909 -0.426 17729
3532 1 16 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.638 0.144 17729
3533 1 16 . 1 1 14 14 LYS H H 4 8.192 8.192 8.272 -0.080 17729
3534 1 16 . 1 1 15 15 GLY N N 5 109.122 109.122 106.834 2.288 17729
3535 1 16 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.101 0.442 17729
3536 1 16 . 1 1 15 15 GLY H H 5 8.275 8.275 8.268 0.007 17729
3537 1 16 . 1 1 16 16 VAL N N 6 117.135 117.135 119.410 -2.275 17729
3538 1 16 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.178 0.237 17729
3539 1 16 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.172 1.601 17729
3540 1 16 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.203 -0.373 17729
3541 1 16 . 1 1 16 16 VAL H H 6 7.522 7.522 7.575 -0.053 17729
3542 1 16 . 1 1 17 17 TYR N N 7 120.317 120.317 116.624 3.693 17729
3543 1 16 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.616 -1.235 17729
3544 1 16 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.373 1.119 17729
3545 1 16 . 1 1 17 17 TYR CB C 7 39.131 39.131 42.667 -3.536 17729
3546 1 16 . 1 1 17 17 TYR H H 7 7.929 7.929 8.752 -0.823 17729
3547 1 16 . 1 1 18 18 TYR N N 8 117.105 117.105 118.692 -1.587 17729
3548 1 16 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.065 0.261 17729
3549 1 16 . 1 1 18 18 TYR CA C 8 56.891 56.891 57.788 -0.897 17729
3550 1 16 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.522 0.776 17729
3551 1 16 . 1 1 18 18 TYR H H 8 8.646 8.646 9.170 -0.524 17729
3552 1 16 . 1 1 19 19 ARG N N 9 122.698 122.698 126.195 -3.497 17729
3553 1 16 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.169 0.380 17729
3554 1 16 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.411 0.386 17729
3555 1 16 . 1 1 19 19 ARG CB C 9 35.578 35.578 32.915 2.663 17729
3556 1 16 . 1 1 19 19 ARG H H 9 9.373 9.373 8.319 1.054 17729
3557 1 16 . 1 1 20 20 ASN N N 10 122.244 122.244 124.608 -2.364 17729
3558 1 16 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.728 0.224 17729
3559 1 16 . 1 1 20 20 ASN CA C 10 49.964 49.964 50.876 -0.912 17729
3560 1 16 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.834 -2.279 17729
3561 1 16 . 1 1 20 20 ASN H H 10 7.651 7.651 7.742 -0.091 17729
3562 1 16 . 1 1 21 21 GLU N N 11 118.795 118.795 119.259 -0.464 17729
3563 1 16 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.933 -0.011 17729
3564 1 16 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.784 0.002 17729
3565 1 16 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.551 0.444 17729
3566 1 16 . 1 1 21 21 GLU H H 11 8.889 8.889 8.638 0.251 17729
3567 1 16 . 1 1 22 22 GLU N N 12 116.576 116.576 118.889 -2.313 17729
3568 1 16 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.086 0.036 17729
3569 1 16 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.469 -0.239 17729
3570 1 16 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.960 -0.571 17729
3571 1 16 . 1 1 22 22 GLU H H 12 7.280 7.280 8.368 -1.088 17729
3572 1 16 . 1 1 23 23 GLY N N 13 106.901 106.901 107.180 -0.279 17729
3573 1 16 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.153 -0.018 17729
3574 1 16 . 1 1 23 23 GLY H H 13 7.732 7.732 7.600 0.132 17729
3575 1 16 . 1 1 24 24 GLN N N 14 121.137 121.137 119.336 1.801 17729
3576 1 16 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.277 -0.151 17729
3577 1 16 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.678 0.431 17729
3578 1 16 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.154 -1.059 17729
3579 1 16 . 1 1 24 24 GLN H H 14 7.737 7.737 7.810 -0.073 17729
3580 1 16 . 1 1 25 25 THR N N 15 109.710 109.710 112.104 -2.394 17729
3581 1 16 . 1 1 25 25 THR HA H 15 5.829 5.829 5.625 0.204 17729
3582 1 16 . 1 1 25 25 THR CA C 15 60.280 60.280 59.617 0.663 17729
3583 1 16 . 1 1 25 25 THR CB C 15 73.126 73.126 70.613 2.513 17729
3584 1 16 . 1 1 25 25 THR H H 15 8.351 8.351 8.281 0.070 17729
3585 1 16 . 1 1 26 26 TRP N N 16 122.132 122.132 128.087 -5.955 17729
3586 1 16 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.193 0.082 17729
3587 1 16 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.195 0.443 17729
3588 1 16 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.649 0.616 17729
3589 1 16 . 1 1 26 26 TRP H H 16 9.480 9.480 9.042 0.438 17729
3590 1 16 . 1 1 27 27 SER N N 17 124.023 124.023 122.672 1.351 17729
3591 1 16 . 1 1 27 27 SER HA H 17 4.231 4.231 4.660 -0.429 17729
3592 1 16 . 1 1 27 27 SER CA C 17 59.522 59.522 60.197 -0.675 17729
3593 1 16 . 1 1 27 27 SER CB C 17 64.161 64.161 63.826 0.335 17729
3594 1 16 . 1 1 27 27 SER H H 17 8.802 8.802 8.982 -0.180 17729
3595 1 16 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.145 0.083 17729
3596 1 16 . 1 1 29 29 VAL N N 19 117.282 117.282 119.227 -1.945 17729
3597 1 16 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.358 -0.559 17729
3598 1 16 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.150 -0.426 17729
3599 1 16 . 1 1 29 29 VAL CB C 19 34.256 34.256 34.432 -0.176 17729
3600 1 16 . 1 1 29 29 VAL H H 19 6.540 6.540 7.370 -0.830 17729
3601 1 16 . 1 1 30 30 GLY N N 20 111.415 111.415 112.313 -0.898 17729
3602 1 16 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.841 -0.223 17729
3603 1 16 . 1 1 30 30 GLY H H 20 8.348 8.348 8.678 -0.330 17729
3604 1 16 . 1 1 31 31 ARG N N 21 118.607 118.607 120.504 -1.897 17729
3605 1 16 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.918 -0.320 17729
3606 1 16 . 1 1 31 31 ARG CA C 21 57.420 57.420 56.895 0.525 17729
3607 1 16 . 1 1 31 31 ARG H H 21 6.840 6.840 8.470 -1.630 17729
3608 1 16 . 1 1 32 32 GLN N N 22 119.299 119.299 119.763 -0.464 17729
3609 1 16 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.731 -1.029 17729
3610 1 16 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.603 0.177 17729
3611 1 16 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.817 -3.647 17729
3612 1 16 . 1 1 32 32 GLN H H 22 6.214 6.214 8.189 -1.975 17729
3613 1 16 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.321 0.066 17729
3614 1 16 . 1 1 33 33 PRO CA C 23 60.514 60.514 62.095 -1.581 17729
3615 1 16 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.206 -0.024 17729
3616 1 16 . 1 1 34 34 ARG N N 24 123.469 123.469 121.807 1.662 17729
3617 1 16 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.816 -0.334 17729
3618 1 16 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.016 0.848 17729
3619 1 16 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.263 0.215 17729
3620 1 16 . 1 1 34 34 ARG H H 24 9.154 9.154 8.623 0.531 17729
3621 1 16 . 1 1 35 35 TRP N N 25 113.687 113.687 116.451 -2.764 17729
3622 1 16 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.615 -0.521 17729
3623 1 16 . 1 1 35 35 TRP CA C 25 58.573 58.573 55.723 2.850 17729
3624 1 16 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.461 -1.436 17729
3625 1 16 . 1 1 35 35 TRP H H 25 7.813 7.813 6.985 0.828 17729
3626 1 16 . 1 1 36 36 LEU N N 26 125.176 125.176 124.245 0.931 17729
3627 1 16 . 1 1 36 36 LEU HA H 26 3.284 3.284 4.058 -0.774 17729
3628 1 16 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.759 -1.373 17729
3629 1 16 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.179 -0.871 17729
3630 1 16 . 1 1 36 36 LEU H H 26 5.622 5.622 7.624 -2.002 17729
3631 1 16 . 1 1 37 37 LYS N N 27 119.347 119.347 117.311 2.036 17729
3632 1 16 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.970 -0.504 17729
3633 1 16 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.281 0.396 17729
3634 1 16 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.636 -0.059 17729
3635 1 16 . 1 1 37 37 LYS H H 27 7.264 7.264 7.546 -0.282 17729
3636 1 16 . 1 1 38 38 GLU N N 28 116.166 116.166 120.009 -3.843 17729
3637 1 16 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.060 -0.322 17729
3638 1 16 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.077 0.069 17729
3639 1 16 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.908 0.272 17729
3640 1 16 . 1 1 38 38 GLU H H 28 8.355 8.355 8.100 0.255 17729
3641 1 16 . 1 1 39 39 ALA N N 29 122.540 122.540 120.669 1.871 17729
3642 1 16 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.168 0.019 17729
3643 1 16 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.536 0.828 17729
3644 1 16 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.564 -0.059 17729
3645 1 16 . 1 1 39 39 ALA H H 29 7.220 7.220 7.481 -0.261 17729
3646 1 16 . 1 1 40 40 LEU N N 30 119.110 119.110 120.928 -1.818 17729
3647 1 16 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.341 -0.124 17729
3648 1 16 . 1 1 40 40 LEU CA C 30 57.252 57.252 58.103 -0.851 17729
3649 1 16 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.654 -2.462 17729
3650 1 16 . 1 1 40 40 LEU H H 30 8.143 8.143 7.645 0.498 17729
3651 1 16 . 1 1 41 41 LEU N N 31 121.655 121.655 115.291 6.364 17729
3652 1 16 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.160 -0.118 17729
3653 1 16 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.974 0.274 17729
3654 1 16 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.060 0.600 17729
3655 1 16 . 1 1 41 41 LEU H H 31 7.754 7.754 8.335 -0.581 17729
3656 1 16 . 1 1 42 42 ASN N N 32 116.379 116.379 117.845 -1.466 17729
3657 1 16 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.597 0.149 17729
3658 1 16 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.035 -0.984 17729
3659 1 16 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.397 -0.160 17729
3660 1 16 . 1 1 42 42 ASN H H 32 7.475 7.475 7.849 -0.374 17729
3661 1 16 . 1 1 43 43 GLY N N 33 106.130 106.130 108.114 -1.984 17729
3662 1 16 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.837 0.974 17729
3663 1 16 . 1 1 43 43 GLY H H 33 7.674 7.674 7.875 -0.201 17729
3664 1 16 . 1 1 44 44 MET N N 34 118.621 118.621 117.661 0.960 17729
3665 1 16 . 1 1 44 44 MET HA H 34 4.527 4.527 5.031 -0.504 17729
3666 1 16 . 1 1 44 44 MET CA C 34 55.077 55.077 54.089 0.988 17729
3667 1 16 . 1 1 44 44 MET CB C 34 32.646 32.646 35.893 -3.247 17729
3668 1 16 . 1 1 44 44 MET H H 34 7.731 7.731 7.458 0.273 17729
3669 1 16 . 1 1 45 45 LYS N N 35 117.415 117.415 120.902 -3.487 17729
3670 1 16 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.404 0.269 17729
3671 1 16 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.576 -2.459 17729
3672 1 16 . 1 1 45 45 LYS CB C 35 34.837 34.837 32.816 2.021 17729
3673 1 16 . 1 1 45 45 LYS H H 35 8.594 8.594 8.615 -0.021 17729
3674 1 16 . 1 1 46 46 LYS N N 36 122.938 122.938 123.214 -0.276 17729
3675 1 16 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.290 0.526 17729
3676 1 16 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.610 2.709 17729
3677 1 16 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.611 0.622 17729
3678 1 16 . 1 1 46 46 LYS H H 36 9.050 9.050 8.828 0.222 17729
3679 1 16 . 1 1 47 47 GLU N N 37 114.163 114.163 119.310 -5.147 17729
3680 1 16 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.140 -0.091 17729
3681 1 16 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.209 0.529 17729
3682 1 16 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.729 -0.199 17729
3683 1 16 . 1 1 47 47 GLU H H 37 9.129 9.129 8.590 0.539 17729
3684 1 16 . 1 1 48 48 ASP N N 38 119.868 119.868 119.762 0.106 17729
3685 1 16 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.569 -0.367 17729
3686 1 16 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.020 -0.120 17729
3687 1 16 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.339 -1.159 17729
3688 1 16 . 1 1 48 48 ASP H H 38 7.829 7.829 7.823 0.006 17729
3689 1 16 . 1 1 49 49 PHE N N 39 116.115 116.115 113.349 2.766 17729
3690 1 16 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.913 -0.168 17729
3691 1 16 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.147 2.317 17729
3692 1 16 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.794 2.602 17729
3693 1 16 . 1 1 49 49 PHE H H 39 7.909 7.909 7.071 0.838 17729
3694 1 16 . 1 1 50 50 LEU N N 40 122.224 122.224 123.296 -1.072 17729
3695 1 16 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.376 -0.480 17729
3696 1 16 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.573 1.624 17729
3697 1 16 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.435 1.155 17729
3698 1 16 . 1 1 50 50 LEU H H 40 6.974 6.974 7.378 -0.404 17729
3699 1 16 . 1 1 51 51 VAL N N 41 127.077 127.077 127.879 -0.802 17729
3700 1 16 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.395 -0.533 17729
3701 1 16 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.145 1.594 17729
3702 1 16 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.528 -1.195 17729
3703 1 16 . 1 1 51 51 VAL H H 41 8.648 8.648 9.181 -0.533 17729
3704 1 16 . 1 1 52 52 LYS N N 42 123.896 123.896 128.284 -4.388 17729
3705 1 16 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.080 0.307 17729
3706 1 16 . 1 1 52 52 LYS CA C 42 55.341 55.341 57.005 -1.664 17729
3707 1 16 . 1 1 52 52 LYS CB C 42 33.813 33.813 32.841 0.972 17729
3708 1 16 . 1 1 52 52 LYS H H 42 8.077 8.077 8.649 -0.572 17729
3709 1 16 . 1 1 53 53 ASP N N 43 122.944 122.944 118.810 4.134 17729
3710 1 16 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.580 -0.046 17729
3711 1 16 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.231 -1.904 17729
3712 1 16 . 1 1 53 53 ASP CB C 43 41.138 41.138 40.950 0.188 17729
3713 1 16 . 1 1 53 53 ASP H H 43 8.332 8.332 8.210 0.122 17729
3714 1 16 . 1 1 54 54 THR N N 44 113.734 113.734 111.827 1.907 17729
3715 1 16 . 1 1 54 54 THR HA H 44 4.184 4.184 4.483 -0.299 17729
3716 1 16 . 1 1 54 54 THR CA C 44 61.564 61.564 61.219 0.345 17729
3717 1 16 . 1 1 54 54 THR CB C 44 69.719 69.719 70.412 -0.693 17729
3718 1 16 . 1 1 54 54 THR H H 44 7.950 7.950 7.563 0.387 17729
3719 1 16 . 1 1 55 55 GLU N N 45 122.650 122.650 118.957 3.693 17729
3720 1 16 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.977 0.186 17729
3721 1 16 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.638 -1.211 17729
3722 1 16 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.005 2.172 17729
3723 1 16 . 1 1 55 55 GLU H H 45 8.289 8.289 8.843 -0.554 17729
3724 1 16 . 1 1 56 56 GLU N N 46 121.892 121.892 117.994 3.898 17729
3725 1 16 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.388 -0.243 17729
3726 1 16 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.019 0.336 17729
3727 1 16 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.342 0.100 17729
3728 1 16 . 1 1 56 56 GLU H H 46 8.192 8.192 8.208 -0.016 17729
3729 1 17 . 1 1 7 7 HIS N N -3 120.845 120.845 124.241 -3.396 17729
3730 1 17 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.622 -0.090 17729
3731 1 17 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.288 -0.764 17729
3732 1 17 . 1 1 7 7 HIS CB C -3 29.612 29.612 30.808 -1.196 17729
3733 1 17 . 1 1 7 7 HIS H H -3 8.599 8.599 8.270 0.329 17729
3734 1 17 . 1 1 8 8 SER N N -2 117.754 117.754 120.606 -2.852 17729
3735 1 17 . 1 1 8 8 SER HA H -2 4.295 4.295 4.305 -0.010 17729
3736 1 17 . 1 1 8 8 SER CA C -2 58.301 58.301 59.636 -1.335 17729
3737 1 17 . 1 1 8 8 SER CB C -2 63.759 63.759 63.874 -0.115 17729
3738 1 17 . 1 1 8 8 SER H H -2 8.407 8.407 8.341 0.066 17729
3739 1 17 . 1 1 9 9 MET N N -1 122.201 122.201 120.595 1.606 17729
3740 1 17 . 1 1 9 9 MET HA H -1 4.371 4.371 4.599 -0.228 17729
3741 1 17 . 1 1 9 9 MET CA C -1 55.513 55.513 54.387 1.126 17729
3742 1 17 . 1 1 9 9 MET CB C -1 32.610 32.610 35.956 -3.346 17729
3743 1 17 . 1 1 9 9 MET H H -1 8.467 8.467 8.453 0.014 17729
3744 1 17 . 1 1 10 10 GLY N N 0 109.518 109.518 111.842 -2.324 17729
3745 1 17 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.245 0.123 17729
3746 1 17 . 1 1 10 10 GLY H H 0 8.303 8.303 8.454 -0.151 17729
3747 1 17 . 1 1 11 11 ASN N N 1 118.803 118.803 120.916 -2.113 17729
3748 1 17 . 1 1 11 11 ASN HA H 1 4.606 4.606 5.007 -0.401 17729
3749 1 17 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.486 0.770 17729
3750 1 17 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.350 -1.456 17729
3751 1 17 . 1 1 11 11 ASN H H 1 8.275 8.275 8.696 -0.421 17729
3752 1 17 . 1 1 12 12 SER N N 2 115.840 115.840 116.542 -0.702 17729
3753 1 17 . 1 1 12 12 SER HA H 2 4.310 4.310 4.469 -0.159 17729
3754 1 17 . 1 1 12 12 SER CA C 2 58.559 58.559 58.436 0.123 17729
3755 1 17 . 1 1 12 12 SER CB C 2 63.659 63.659 62.716 0.943 17729
3756 1 17 . 1 1 12 12 SER H H 2 8.224 8.224 8.358 -0.134 17729
3757 1 17 . 1 1 13 13 SER N N 3 117.557 117.557 117.714 -0.157 17729
3758 1 17 . 1 1 13 13 SER HA H 3 4.304 4.304 4.153 0.151 17729
3759 1 17 . 1 1 13 13 SER CA C 3 58.541 58.541 58.635 -0.094 17729
3760 1 17 . 1 1 13 13 SER CB C 3 63.661 63.661 63.553 0.108 17729
3761 1 17 . 1 1 13 13 SER H H 3 8.228 8.228 7.735 0.493 17729
3762 1 17 . 1 1 14 14 LYS N N 4 122.301 122.301 124.372 -2.071 17729
3763 1 17 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.098 0.083 17729
3764 1 17 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.388 0.096 17729
3765 1 17 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.607 0.175 17729
3766 1 17 . 1 1 14 14 LYS H H 4 8.192 8.192 8.319 -0.127 17729
3767 1 17 . 1 1 15 15 GLY N N 5 109.122 109.122 108.060 1.062 17729
3768 1 17 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.193 0.350 17729
3769 1 17 . 1 1 15 15 GLY H H 5 8.275 8.275 8.376 -0.101 17729
3770 1 17 . 1 1 16 16 VAL N N 6 117.135 117.135 121.453 -4.318 17729
3771 1 17 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.465 -0.050 17729
3772 1 17 . 1 1 16 16 VAL CA C 6 60.773 60.773 58.169 2.604 17729
3773 1 17 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.098 -0.268 17729
3774 1 17 . 1 1 16 16 VAL H H 6 7.522 7.522 7.566 -0.044 17729
3775 1 17 . 1 1 17 17 TYR N N 7 120.317 120.317 114.615 5.702 17729
3776 1 17 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.409 -1.028 17729
3777 1 17 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.744 0.748 17729
3778 1 17 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.386 -1.255 17729
3779 1 17 . 1 1 17 17 TYR H H 7 7.929 7.929 8.321 -0.392 17729
3780 1 17 . 1 1 18 18 TYR N N 8 117.105 117.105 120.734 -3.629 17729
3781 1 17 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.270 0.056 17729
3782 1 17 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.750 -1.859 17729
3783 1 17 . 1 1 18 18 TYR CB C 8 41.298 41.298 39.987 1.311 17729
3784 1 17 . 1 1 18 18 TYR H H 8 8.646 8.646 9.310 -0.664 17729
3785 1 17 . 1 1 19 19 ARG N N 9 122.698 122.698 124.618 -1.920 17729
3786 1 17 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.481 0.068 17729
3787 1 17 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.779 1.018 17729
3788 1 17 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.317 1.261 17729
3789 1 17 . 1 1 19 19 ARG H H 9 9.373 9.373 8.570 0.803 17729
3790 1 17 . 1 1 20 20 ASN N N 10 122.244 122.244 121.222 1.022 17729
3791 1 17 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.921 0.031 17729
3792 1 17 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.858 -1.895 17729
3793 1 17 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.879 -2.324 17729
3794 1 17 . 1 1 20 20 ASN H H 10 7.651 7.651 7.988 -0.337 17729
3795 1 17 . 1 1 21 21 GLU N N 11 118.795 118.795 118.112 0.683 17729
3796 1 17 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.910 0.012 17729
3797 1 17 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.048 -0.262 17729
3798 1 17 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.829 0.166 17729
3799 1 17 . 1 1 21 21 GLU H H 11 8.889 8.889 8.848 0.041 17729
3800 1 17 . 1 1 22 22 GLU N N 12 116.576 116.576 119.138 -2.562 17729
3801 1 17 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.049 0.073 17729
3802 1 17 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.598 -0.368 17729
3803 1 17 . 1 1 22 22 GLU CB C 12 29.389 29.389 30.018 -0.629 17729
3804 1 17 . 1 1 22 22 GLU H H 12 7.280 7.280 8.200 -0.920 17729
3805 1 17 . 1 1 23 23 GLY N N 13 106.901 106.901 107.256 -0.355 17729
3806 1 17 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.054 0.081 17729
3807 1 17 . 1 1 23 23 GLY H H 13 7.732 7.732 7.707 0.025 17729
3808 1 17 . 1 1 24 24 GLN N N 14 121.137 121.137 118.307 2.830 17729
3809 1 17 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.519 -0.393 17729
3810 1 17 . 1 1 24 24 GLN CA C 14 56.109 56.109 54.755 1.355 17729
3811 1 17 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.436 -1.341 17729
3812 1 17 . 1 1 24 24 GLN H H 14 7.737 7.737 7.685 0.052 17729
3813 1 17 . 1 1 25 25 THR N N 15 109.710 109.710 109.388 0.322 17729
3814 1 17 . 1 1 25 25 THR HA H 15 5.829 5.829 5.918 -0.089 17729
3815 1 17 . 1 1 25 25 THR CA C 15 60.280 60.280 60.773 -0.493 17729
3816 1 17 . 1 1 25 25 THR CB C 15 73.126 73.126 71.535 1.591 17729
3817 1 17 . 1 1 25 25 THR H H 15 8.351 8.351 8.495 -0.144 17729
3818 1 17 . 1 1 26 26 TRP N N 16 122.132 122.132 125.066 -2.934 17729
3819 1 17 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.136 0.139 17729
3820 1 17 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.514 0.124 17729
3821 1 17 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.265 0.001 17729
3822 1 17 . 1 1 26 26 TRP H H 16 9.480 9.480 8.961 0.519 17729
3823 1 17 . 1 1 27 27 SER N N 17 124.023 124.023 124.136 -0.113 17729
3824 1 17 . 1 1 27 27 SER HA H 17 4.231 4.231 4.616 -0.385 17729
3825 1 17 . 1 1 27 27 SER CA C 17 59.522 59.522 60.498 -0.976 17729
3826 1 17 . 1 1 27 27 SER CB C 17 64.161 64.161 63.760 0.401 17729
3827 1 17 . 1 1 27 27 SER H H 17 8.802 8.802 8.948 -0.146 17729
3828 1 17 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.006 0.222 17729
3829 1 17 . 1 1 29 29 VAL N N 19 117.282 117.282 121.857 -4.575 17729
3830 1 17 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.250 -0.451 17729
3831 1 17 . 1 1 29 29 VAL CA C 19 60.724 60.724 62.312 -1.588 17729
3832 1 17 . 1 1 29 29 VAL CB C 19 34.256 34.256 32.466 1.790 17729
3833 1 17 . 1 1 29 29 VAL H H 19 6.540 6.540 7.683 -1.143 17729
3834 1 17 . 1 1 30 30 GLY N N 20 111.415 111.415 112.693 -1.278 17729
3835 1 17 . 1 1 30 30 GLY CA C 20 44.618 44.618 44.609 0.009 17729
3836 1 17 . 1 1 30 30 GLY H H 20 8.348 8.348 8.328 0.020 17729
3837 1 17 . 1 1 31 31 ARG N N 21 118.607 118.607 120.003 -1.396 17729
3838 1 17 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.973 -0.375 17729
3839 1 17 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.232 0.188 17729
3840 1 17 . 1 1 31 31 ARG H H 21 6.840 6.840 8.493 -1.653 17729
3841 1 17 . 1 1 32 32 GLN N N 22 119.299 119.299 117.526 1.773 17729
3842 1 17 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.616 -0.914 17729
3843 1 17 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.712 0.068 17729
3844 1 17 . 1 1 32 32 GLN CB C 22 27.170 27.170 30.178 -3.008 17729
3845 1 17 . 1 1 32 32 GLN H H 22 6.214 6.214 8.124 -1.910 17729
3846 1 17 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.179 0.208 17729
3847 1 17 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.989 -1.475 17729
3848 1 17 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.068 0.114 17729
3849 1 17 . 1 1 34 34 ARG N N 24 123.469 123.469 120.744 2.725 17729
3850 1 17 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.835 -0.353 17729
3851 1 17 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.411 0.453 17729
3852 1 17 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.623 -0.145 17729
3853 1 17 . 1 1 34 34 ARG H H 24 9.154 9.154 8.679 0.475 17729
3854 1 17 . 1 1 35 35 TRP N N 25 113.687 113.687 117.341 -3.654 17729
3855 1 17 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.512 -0.418 17729
3856 1 17 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.258 2.315 17729
3857 1 17 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.296 -1.271 17729
3858 1 17 . 1 1 35 35 TRP H H 25 7.813 7.813 7.261 0.552 17729
3859 1 17 . 1 1 36 36 LEU N N 26 125.176 125.176 124.314 0.862 17729
3860 1 17 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.869 -0.586 17729
3861 1 17 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.857 -1.471 17729
3862 1 17 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.965 -0.657 17729
3863 1 17 . 1 1 36 36 LEU H H 26 5.622 5.622 7.373 -1.751 17729
3864 1 17 . 1 1 37 37 LYS N N 27 119.347 119.347 117.423 1.924 17729
3865 1 17 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.902 -0.436 17729
3866 1 17 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.341 0.336 17729
3867 1 17 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.557 0.020 17729
3868 1 17 . 1 1 37 37 LYS H H 27 7.264 7.264 7.286 -0.022 17729
3869 1 17 . 1 1 38 38 GLU N N 28 116.166 116.166 119.716 -3.550 17729
3870 1 17 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.031 -0.293 17729
3871 1 17 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.938 0.207 17729
3872 1 17 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.895 0.285 17729
3873 1 17 . 1 1 38 38 GLU H H 28 8.355 8.355 7.716 0.639 17729
3874 1 17 . 1 1 39 39 ALA N N 29 122.540 122.540 120.545 1.995 17729
3875 1 17 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.118 0.069 17729
3876 1 17 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.558 0.806 17729
3877 1 17 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.569 -0.064 17729
3878 1 17 . 1 1 39 39 ALA H H 29 7.220 7.220 7.559 -0.339 17729
3879 1 17 . 1 1 40 40 LEU N N 30 119.110 119.110 120.534 -1.424 17729
3880 1 17 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.331 -0.114 17729
3881 1 17 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.951 -0.699 17729
3882 1 17 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.621 -2.428 17729
3883 1 17 . 1 1 40 40 LEU H H 30 8.143 8.143 7.761 0.382 17729
3884 1 17 . 1 1 41 41 LEU N N 31 121.655 121.655 114.825 6.830 17729
3885 1 17 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.270 -0.228 17729
3886 1 17 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.728 0.519 17729
3887 1 17 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.073 0.587 17729
3888 1 17 . 1 1 41 41 LEU H H 31 7.754 7.754 8.356 -0.602 17729
3889 1 17 . 1 1 42 42 ASN N N 32 116.379 116.379 117.389 -1.010 17729
3890 1 17 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.616 0.130 17729
3891 1 17 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.221 -1.169 17729
3892 1 17 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.034 0.203 17729
3893 1 17 . 1 1 42 42 ASN H H 32 7.475 7.475 7.809 -0.334 17729
3894 1 17 . 1 1 43 43 GLY N N 33 106.130 106.130 106.972 -0.842 17729
3895 1 17 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.962 0.849 17729
3896 1 17 . 1 1 43 43 GLY H H 33 7.674 7.674 7.789 -0.115 17729
3897 1 17 . 1 1 44 44 MET N N 34 118.621 118.621 115.376 3.245 17729
3898 1 17 . 1 1 44 44 MET HA H 34 4.527 4.527 4.909 -0.382 17729
3899 1 17 . 1 1 44 44 MET CA C 34 55.077 55.077 54.422 0.655 17729
3900 1 17 . 1 1 44 44 MET CB C 34 32.646 32.646 35.857 -3.211 17729
3901 1 17 . 1 1 44 44 MET H H 34 7.731 7.731 7.466 0.265 17729
3902 1 17 . 1 1 45 45 LYS N N 35 117.415 117.415 119.659 -2.244 17729
3903 1 17 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.756 -0.083 17729
3904 1 17 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.128 -1.011 17729
3905 1 17 . 1 1 45 45 LYS CB C 35 34.837 34.837 34.181 0.657 17729
3906 1 17 . 1 1 45 45 LYS H H 35 8.594 8.594 8.532 0.062 17729
3907 1 17 . 1 1 46 46 LYS N N 36 122.938 122.938 120.764 2.174 17729
3908 1 17 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.028 0.788 17729
3909 1 17 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.770 2.549 17729
3910 1 17 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.298 0.935 17729
3911 1 17 . 1 1 46 46 LYS H H 36 9.050 9.050 8.786 0.264 17729
3912 1 17 . 1 1 47 47 GLU N N 37 114.163 114.163 119.312 -5.149 17729
3913 1 17 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.142 -0.093 17729
3914 1 17 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.219 0.519 17729
3915 1 17 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.611 -0.081 17729
3916 1 17 . 1 1 47 47 GLU H H 37 9.129 9.129 8.618 0.511 17729
3917 1 17 . 1 1 48 48 ASP N N 38 119.868 119.868 119.160 0.708 17729
3918 1 17 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.399 -0.197 17729
3919 1 17 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.117 -0.217 17729
3920 1 17 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.400 -1.220 17729
3921 1 17 . 1 1 48 48 ASP H H 38 7.829 7.829 7.858 -0.029 17729
3922 1 17 . 1 1 49 49 PHE N N 39 116.115 116.115 112.862 3.253 17729
3923 1 17 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.965 -0.220 17729
3924 1 17 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.511 1.953 17729
3925 1 17 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.127 2.269 17729
3926 1 17 . 1 1 49 49 PHE H H 39 7.909 7.909 7.060 0.849 17729
3927 1 17 . 1 1 50 50 LEU N N 40 122.224 122.224 124.384 -2.160 17729
3928 1 17 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.400 -0.504 17729
3929 1 17 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.074 2.123 17729
3930 1 17 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.362 1.228 17729
3931 1 17 . 1 1 50 50 LEU H H 40 6.974 6.974 7.379 -0.405 17729
3932 1 17 . 1 1 51 51 VAL N N 41 127.077 127.077 121.272 5.805 17729
3933 1 17 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.511 -0.649 17729
3934 1 17 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.279 1.460 17729
3935 1 17 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.106 -0.773 17729
3936 1 17 . 1 1 51 51 VAL H H 41 8.648 8.648 8.473 0.175 17729
3937 1 17 . 1 1 52 52 LYS N N 42 123.896 123.896 121.709 2.187 17729
3938 1 17 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.266 0.121 17729
3939 1 17 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.121 1.220 17729
3940 1 17 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.975 -1.162 17729
3941 1 17 . 1 1 52 52 LYS H H 42 8.077 8.077 7.739 0.338 17729
3942 1 17 . 1 1 53 53 ASP N N 43 122.944 122.944 118.375 4.569 17729
3943 1 17 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.421 0.113 17729
3944 1 17 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.144 -1.817 17729
3945 1 17 . 1 1 53 53 ASP CB C 43 41.138 41.138 40.984 0.154 17729
3946 1 17 . 1 1 53 53 ASP H H 43 8.332 8.332 8.087 0.245 17729
3947 1 17 . 1 1 54 54 THR N N 44 113.734 113.734 111.336 2.398 17729
3948 1 17 . 1 1 54 54 THR HA H 44 4.184 4.184 4.429 -0.245 17729
3949 1 17 . 1 1 54 54 THR CA C 44 61.564 61.564 60.998 0.566 17729
3950 1 17 . 1 1 54 54 THR CB C 44 69.719 69.719 71.389 -1.670 17729
3951 1 17 . 1 1 54 54 THR H H 44 7.950 7.950 7.176 0.774 17729
3952 1 17 . 1 1 55 55 GLU N N 45 122.650 122.650 117.608 5.042 17729
3953 1 17 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.899 0.264 17729
3954 1 17 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.411 -0.984 17729
3955 1 17 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.110 2.067 17729
3956 1 17 . 1 1 55 55 GLU H H 45 8.289 8.289 8.656 -0.367 17729
3957 1 17 . 1 1 56 56 GLU N N 46 121.892 121.892 118.592 3.300 17729
3958 1 17 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.455 -0.310 17729
3959 1 17 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.867 0.488 17729
3960 1 17 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.488 -0.045 17729
3961 1 17 . 1 1 56 56 GLU H H 46 8.192 8.192 8.167 0.025 17729
3962 1 18 . 1 1 7 7 HIS N N -3 120.845 120.845 111.524 9.321 17729
3963 1 18 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.300 0.232 17729
3964 1 18 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.949 -1.426 17729
3965 1 18 . 1 1 7 7 HIS CB C -3 29.612 29.612 27.406 2.206 17729
3966 1 18 . 1 1 7 7 HIS H H -3 8.599 8.599 8.580 0.019 17729
3967 1 18 . 1 1 8 8 SER N N -2 117.754 117.754 115.406 2.348 17729
3968 1 18 . 1 1 8 8 SER HA H -2 4.295 4.295 4.463 -0.168 17729
3969 1 18 . 1 1 8 8 SER CA C -2 58.301 58.301 59.519 -1.218 17729
3970 1 18 . 1 1 8 8 SER CB C -2 63.759 63.759 64.711 -0.952 17729
3971 1 18 . 1 1 8 8 SER H H -2 8.407 8.407 7.578 0.829 17729
3972 1 18 . 1 1 9 9 MET N N -1 122.201 122.201 119.520 2.681 17729
3973 1 18 . 1 1 9 9 MET HA H -1 4.371 4.371 4.127 0.244 17729
3974 1 18 . 1 1 9 9 MET CA C -1 55.513 55.513 56.366 -0.853 17729
3975 1 18 . 1 1 9 9 MET CB C -1 32.610 32.610 32.157 0.453 17729
3976 1 18 . 1 1 9 9 MET H H -1 8.467 8.467 8.054 0.413 17729
3977 1 18 . 1 1 10 10 GLY N N 0 109.518 109.518 109.322 0.196 17729
3978 1 18 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.113 0.254 17729
3979 1 18 . 1 1 10 10 GLY H H 0 8.303 8.303 8.452 -0.149 17729
3980 1 18 . 1 1 11 11 ASN N N 1 118.803 118.803 123.984 -5.181 17729
3981 1 18 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.730 -0.124 17729
3982 1 18 . 1 1 11 11 ASN CA C 1 53.256 53.256 53.538 -0.282 17729
3983 1 18 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.922 -1.028 17729
3984 1 18 . 1 1 11 11 ASN H H 1 8.275 8.275 8.545 -0.270 17729
3985 1 18 . 1 1 12 12 SER N N 2 115.840 115.840 117.749 -1.909 17729
3986 1 18 . 1 1 12 12 SER HA H 2 4.310 4.310 4.778 -0.468 17729
3987 1 18 . 1 1 12 12 SER CA C 2 58.559 58.559 57.858 0.700 17729
3988 1 18 . 1 1 12 12 SER CB C 2 63.659 63.659 64.238 -0.579 17729
3989 1 18 . 1 1 12 12 SER H H 2 8.224 8.224 8.447 -0.223 17729
3990 1 18 . 1 1 13 13 SER N N 3 117.557 117.557 116.371 1.186 17729
3991 1 18 . 1 1 13 13 SER HA H 3 4.304 4.304 4.500 -0.196 17729
3992 1 18 . 1 1 13 13 SER CA C 3 58.541 58.541 59.084 -0.543 17729
3993 1 18 . 1 1 13 13 SER CB C 3 63.661 63.661 63.581 0.080 17729
3994 1 18 . 1 1 13 13 SER H H 3 8.228 8.228 7.999 0.229 17729
3995 1 18 . 1 1 14 14 LYS N N 4 122.301 122.301 120.406 1.895 17729
3996 1 18 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.417 -0.236 17729
3997 1 18 . 1 1 14 14 LYS CA C 4 56.483 56.483 55.239 1.244 17729
3998 1 18 . 1 1 14 14 LYS CB C 4 32.782 32.782 35.486 -2.704 17729
3999 1 18 . 1 1 14 14 LYS H H 4 8.192 8.192 7.367 0.825 17729
4000 1 18 . 1 1 15 15 GLY N N 5 109.122 109.122 109.883 -0.761 17729
4001 1 18 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.921 -0.378 17729
4002 1 18 . 1 1 15 15 GLY H H 5 8.275 8.275 8.430 -0.155 17729
4003 1 18 . 1 1 16 16 VAL N N 6 117.135 117.135 126.238 -9.103 17729
4004 1 18 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.233 0.182 17729
4005 1 18 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.646 1.127 17729
4006 1 18 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.196 -0.366 17729
4007 1 18 . 1 1 16 16 VAL H H 6 7.522 7.522 7.766 -0.244 17729
4008 1 18 . 1 1 17 17 TYR N N 7 120.317 120.317 123.719 -3.402 17729
4009 1 18 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.287 -0.906 17729
4010 1 18 . 1 1 17 17 TYR CA C 7 56.492 56.492 54.790 1.702 17729
4011 1 18 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.212 -1.081 17729
4012 1 18 . 1 1 17 17 TYR H H 7 7.929 7.929 8.484 -0.555 17729
4013 1 18 . 1 1 18 18 TYR N N 8 117.105 117.105 118.764 -1.659 17729
4014 1 18 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.272 0.054 17729
4015 1 18 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.243 -1.352 17729
4016 1 18 . 1 1 18 18 TYR CB C 8 41.298 41.298 41.051 0.247 17729
4017 1 18 . 1 1 18 18 TYR H H 8 8.646 8.646 9.309 -0.663 17729
4018 1 18 . 1 1 19 19 ARG N N 9 122.698 122.698 123.586 -0.888 17729
4019 1 18 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.364 0.185 17729
4020 1 18 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.377 0.421 17729
4021 1 18 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.818 0.760 17729
4022 1 18 . 1 1 19 19 ARG H H 9 9.373 9.373 8.821 0.552 17729
4023 1 18 . 1 1 20 20 ASN N N 10 122.244 122.244 122.687 -0.443 17729
4024 1 18 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.734 0.218 17729
4025 1 18 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.059 -1.095 17729
4026 1 18 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.969 -2.414 17729
4027 1 18 . 1 1 20 20 ASN H H 10 7.651 7.651 7.657 -0.006 17729
4028 1 18 . 1 1 21 21 GLU N N 11 118.795 118.795 119.024 -0.229 17729
4029 1 18 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.967 -0.045 17729
4030 1 18 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.995 -0.209 17729
4031 1 18 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.497 0.498 17729
4032 1 18 . 1 1 21 21 GLU H H 11 8.889 8.889 8.445 0.444 17729
4033 1 18 . 1 1 22 22 GLU N N 12 116.576 116.576 118.534 -1.958 17729
4034 1 18 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.080 0.042 17729
4035 1 18 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.338 -0.108 17729
4036 1 18 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.779 -0.390 17729
4037 1 18 . 1 1 22 22 GLU H H 12 7.280 7.280 8.224 -0.944 17729
4038 1 18 . 1 1 23 23 GLY N N 13 106.901 106.901 107.337 -0.436 17729
4039 1 18 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.117 0.018 17729
4040 1 18 . 1 1 23 23 GLY H H 13 7.732 7.732 7.789 -0.057 17729
4041 1 18 . 1 1 24 24 GLN N N 14 121.137 121.137 119.518 1.619 17729
4042 1 18 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.194 -0.068 17729
4043 1 18 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.732 0.377 17729
4044 1 18 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.828 -0.733 17729
4045 1 18 . 1 1 24 24 GLN H H 14 7.737 7.737 7.755 -0.018 17729
4046 1 18 . 1 1 25 25 THR N N 15 109.710 109.710 111.798 -2.088 17729
4047 1 18 . 1 1 25 25 THR HA H 15 5.829 5.829 5.788 0.041 17729
4048 1 18 . 1 1 25 25 THR CA C 15 60.280 60.280 60.203 0.077 17729
4049 1 18 . 1 1 25 25 THR CB C 15 73.126 73.126 71.235 1.891 17729
4050 1 18 . 1 1 25 25 THR H H 15 8.351 8.351 8.155 0.196 17729
4051 1 18 . 1 1 26 26 TRP N N 16 122.132 122.132 126.159 -4.027 17729
4052 1 18 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.182 0.093 17729
4053 1 18 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.230 0.408 17729
4054 1 18 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.209 0.056 17729
4055 1 18 . 1 1 26 26 TRP H H 16 9.480 9.480 9.189 0.291 17729
4056 1 18 . 1 1 27 27 SER N N 17 124.023 124.023 124.058 -0.035 17729
4057 1 18 . 1 1 27 27 SER HA H 17 4.231 4.231 4.554 -0.323 17729
4058 1 18 . 1 1 27 27 SER CA C 17 59.522 59.522 60.504 -0.982 17729
4059 1 18 . 1 1 27 27 SER CB C 17 64.161 64.161 63.628 0.533 17729
4060 1 18 . 1 1 27 27 SER H H 17 8.802 8.802 9.003 -0.201 17729
4061 1 18 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.552 -0.324 17729
4062 1 18 . 1 1 29 29 VAL N N 19 117.282 117.282 113.389 3.893 17729
4063 1 18 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.620 -0.821 17729
4064 1 18 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.343 1.381 17729
4065 1 18 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.499 0.757 17729
4066 1 18 . 1 1 29 29 VAL H H 19 6.540 6.540 7.507 -0.967 17729
4067 1 18 . 1 1 30 30 GLY N N 20 111.415 111.415 109.709 1.706 17729
4068 1 18 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.721 -1.103 17729
4069 1 18 . 1 1 30 30 GLY H H 20 8.348 8.348 8.479 -0.131 17729
4070 1 18 . 1 1 31 31 ARG N N 21 118.607 118.607 122.436 -3.829 17729
4071 1 18 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.529 -0.931 17729
4072 1 18 . 1 1 31 31 ARG CA C 21 57.420 57.420 55.585 1.835 17729
4073 1 18 . 1 1 31 31 ARG H H 21 6.840 6.840 8.567 -1.727 17729
4074 1 18 . 1 1 32 32 GLN N N 22 119.299 119.299 119.781 -0.482 17729
4075 1 18 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.657 -0.955 17729
4076 1 18 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.590 0.190 17729
4077 1 18 . 1 1 32 32 GLN CB C 22 27.170 27.170 28.840 -1.670 17729
4078 1 18 . 1 1 32 32 GLN H H 22 6.214 6.214 8.311 -2.097 17729
4079 1 18 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.346 0.041 17729
4080 1 18 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.673 -1.159 17729
4081 1 18 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.397 -0.215 17729
4082 1 18 . 1 1 34 34 ARG N N 24 123.469 123.469 121.014 2.455 17729
4083 1 18 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.840 -0.358 17729
4084 1 18 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.308 0.556 17729
4085 1 18 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.114 0.364 17729
4086 1 18 . 1 1 34 34 ARG H H 24 9.154 9.154 8.548 0.606 17729
4087 1 18 . 1 1 35 35 TRP N N 25 113.687 113.687 117.872 -4.185 17729
4088 1 18 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.450 -0.356 17729
4089 1 18 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.529 2.044 17729
4090 1 18 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.764 -0.739 17729
4091 1 18 . 1 1 35 35 TRP H H 25 7.813 7.813 7.694 0.119 17729
4092 1 18 . 1 1 36 36 LEU N N 26 125.176 125.176 122.861 2.315 17729
4093 1 18 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.848 -0.564 17729
4094 1 18 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.599 -1.213 17729
4095 1 18 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.850 -0.542 17729
4096 1 18 . 1 1 36 36 LEU H H 26 5.622 5.622 7.164 -1.542 17729
4097 1 18 . 1 1 37 37 LYS N N 27 119.347 119.347 119.469 -0.122 17729
4098 1 18 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.859 -0.393 17729
4099 1 18 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.814 -0.137 17729
4100 1 18 . 1 1 37 37 LYS CB C 27 31.577 31.577 32.320 -0.743 17729
4101 1 18 . 1 1 37 37 LYS H H 27 7.264 7.264 7.481 -0.217 17729
4102 1 18 . 1 1 38 38 GLU N N 28 116.166 116.166 118.737 -2.571 17729
4103 1 18 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.026 -0.288 17729
4104 1 18 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.048 0.097 17729
4105 1 18 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.209 -0.029 17729
4106 1 18 . 1 1 38 38 GLU H H 28 8.355 8.355 7.671 0.684 17729
4107 1 18 . 1 1 39 39 ALA N N 29 122.540 122.540 121.003 1.537 17729
4108 1 18 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.108 0.079 17729
4109 1 18 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.594 0.770 17729
4110 1 18 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.445 0.060 17729
4111 1 18 . 1 1 39 39 ALA H H 29 7.220 7.220 8.322 -1.102 17729
4112 1 18 . 1 1 40 40 LEU N N 30 119.110 119.110 120.472 -1.362 17729
4113 1 18 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.644 -0.427 17729
4114 1 18 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.721 -0.469 17729
4115 1 18 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.703 -2.510 17729
4116 1 18 . 1 1 40 40 LEU H H 30 8.143 8.143 7.704 0.439 17729
4117 1 18 . 1 1 41 41 LEU N N 31 121.655 121.655 116.209 5.446 17729
4118 1 18 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.141 -0.099 17729
4119 1 18 . 1 1 41 41 LEU CA C 31 57.247 57.247 57.081 0.166 17729
4120 1 18 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.069 0.591 17729
4121 1 18 . 1 1 41 41 LEU H H 31 7.754 7.754 8.252 -0.498 17729
4122 1 18 . 1 1 42 42 ASN N N 32 116.379 116.379 117.543 -1.164 17729
4123 1 18 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.586 0.160 17729
4124 1 18 . 1 1 42 42 ASN CA C 32 53.052 53.052 54.190 -1.138 17729
4125 1 18 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.394 -0.157 17729
4126 1 18 . 1 1 42 42 ASN H H 32 7.475 7.475 7.857 -0.382 17729
4127 1 18 . 1 1 43 43 GLY N N 33 106.130 106.130 107.510 -1.380 17729
4128 1 18 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.833 0.978 17729
4129 1 18 . 1 1 43 43 GLY H H 33 7.674 7.674 7.938 -0.264 17729
4130 1 18 . 1 1 44 44 MET N N 34 118.621 118.621 117.640 0.981 17729
4131 1 18 . 1 1 44 44 MET HA H 34 4.527 4.527 5.055 -0.528 17729
4132 1 18 . 1 1 44 44 MET CA C 34 55.077 55.077 53.952 1.125 17729
4133 1 18 . 1 1 44 44 MET CB C 34 32.646 32.646 35.382 -2.736 17729
4134 1 18 . 1 1 44 44 MET H H 34 7.731 7.731 7.525 0.206 17729
4135 1 18 . 1 1 45 45 LYS N N 35 117.415 117.415 121.459 -4.044 17729
4136 1 18 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.393 0.280 17729
4137 1 18 . 1 1 45 45 LYS CA C 35 54.117 54.117 56.517 -2.400 17729
4138 1 18 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.394 1.443 17729
4139 1 18 . 1 1 45 45 LYS H H 35 8.594 8.594 8.701 -0.107 17729
4140 1 18 . 1 1 46 46 LYS N N 36 122.938 122.938 120.549 2.389 17729
4141 1 18 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.114 0.702 17729
4142 1 18 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.640 2.679 17729
4143 1 18 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.513 0.720 17729
4144 1 18 . 1 1 46 46 LYS H H 36 9.050 9.050 8.795 0.255 17729
4145 1 18 . 1 1 47 47 GLU N N 37 114.163 114.163 118.290 -4.127 17729
4146 1 18 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.221 -0.172 17729
4147 1 18 . 1 1 47 47 GLU CA C 37 59.738 59.738 58.739 0.999 17729
4148 1 18 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.493 0.037 17729
4149 1 18 . 1 1 47 47 GLU H H 37 9.129 9.129 8.713 0.416 17729
4150 1 18 . 1 1 48 48 ASP N N 38 119.868 119.868 119.121 0.747 17729
4151 1 18 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.081 0.121 17729
4152 1 18 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.397 -0.497 17729
4153 1 18 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.324 -1.144 17729
4154 1 18 . 1 1 48 48 ASP H H 38 7.829 7.829 7.726 0.103 17729
4155 1 18 . 1 1 49 49 PHE N N 39 116.115 116.115 113.769 2.346 17729
4156 1 18 . 1 1 49 49 PHE HA H 39 4.745 4.745 5.204 -0.459 17729
4157 1 18 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.024 2.440 17729
4158 1 18 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.209 2.188 17729
4159 1 18 . 1 1 49 49 PHE H H 39 7.909 7.909 7.141 0.768 17729
4160 1 18 . 1 1 50 50 LEU N N 40 122.224 122.224 122.867 -0.643 17729
4161 1 18 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.451 -0.555 17729
4162 1 18 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.503 1.694 17729
4163 1 18 . 1 1 50 50 LEU CB C 40 43.590 43.590 43.093 0.497 17729
4164 1 18 . 1 1 50 50 LEU H H 40 6.974 6.974 7.623 -0.649 17729
4165 1 18 . 1 1 51 51 VAL N N 41 127.077 127.077 125.428 1.649 17729
4166 1 18 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.471 -0.609 17729
4167 1 18 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.168 1.571 17729
4168 1 18 . 1 1 51 51 VAL CB C 41 33.333 33.333 35.305 -1.972 17729
4169 1 18 . 1 1 51 51 VAL H H 41 8.648 8.648 9.086 -0.438 17729
4170 1 18 . 1 1 52 52 LYS N N 42 123.896 123.896 125.585 -1.689 17729
4171 1 18 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.527 -0.140 17729
4172 1 18 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.101 1.240 17729
4173 1 18 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.947 -1.134 17729
4174 1 18 . 1 1 52 52 LYS H H 42 8.077 8.077 8.296 -0.219 17729
4175 1 18 . 1 1 53 53 ASP N N 43 122.944 122.944 119.006 3.938 17729
4176 1 18 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.390 0.144 17729
4177 1 18 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.416 -2.089 17729
4178 1 18 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.321 -0.183 17729
4179 1 18 . 1 1 53 53 ASP H H 43 8.332 8.332 8.483 -0.151 17729
4180 1 18 . 1 1 54 54 THR N N 44 113.734 113.734 113.502 0.232 17729
4181 1 18 . 1 1 54 54 THR HA H 44 4.184 4.184 4.340 -0.156 17729
4182 1 18 . 1 1 54 54 THR CA C 44 61.564 61.564 61.485 0.079 17729
4183 1 18 . 1 1 54 54 THR CB C 44 69.719 69.719 69.850 -0.131 17729
4184 1 18 . 1 1 54 54 THR H H 44 7.950 7.950 7.702 0.248 17729
4185 1 18 . 1 1 55 55 GLU N N 45 122.650 122.650 122.462 0.188 17729
4186 1 18 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.981 0.182 17729
4187 1 18 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.551 -1.124 17729
4188 1 18 . 1 1 55 55 GLU CB C 45 30.177 30.177 27.980 2.197 17729
4189 1 18 . 1 1 55 55 GLU H H 45 8.289 8.289 8.691 -0.402 17729
4190 1 18 . 1 1 56 56 GLU N N 46 121.892 121.892 118.453 3.439 17729
4191 1 18 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.258 -0.113 17729
4192 1 18 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.182 0.173 17729
4193 1 18 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.713 -0.272 17729
4194 1 18 . 1 1 56 56 GLU H H 46 8.192 8.192 8.120 0.072 17729
4195 1 19 . 1 1 7 7 HIS N N -3 120.845 120.845 124.883 -4.038 17729
4196 1 19 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.637 -0.105 17729
4197 1 19 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.116 -0.593 17729
4198 1 19 . 1 1 7 7 HIS CB C -3 29.612 29.612 30.910 -1.298 17729
4199 1 19 . 1 1 7 7 HIS H H -3 8.599 8.599 8.419 0.180 17729
4200 1 19 . 1 1 8 8 SER N N -2 117.754 117.754 121.074 -3.320 17729
4201 1 19 . 1 1 8 8 SER HA H -2 4.295 4.295 4.236 0.059 17729
4202 1 19 . 1 1 8 8 SER CA C -2 58.301 58.301 59.420 -1.119 17729
4203 1 19 . 1 1 8 8 SER CB C -2 63.759 63.759 63.530 0.229 17729
4204 1 19 . 1 1 8 8 SER H H -2 8.407 8.407 8.435 -0.028 17729
4205 1 19 . 1 1 9 9 MET N N -1 122.201 122.201 121.748 0.453 17729
4206 1 19 . 1 1 9 9 MET HA H -1 4.371 4.371 4.552 -0.181 17729
4207 1 19 . 1 1 9 9 MET CA C -1 55.513 55.513 55.009 0.504 17729
4208 1 19 . 1 1 9 9 MET CB C -1 32.610 32.610 35.201 -2.591 17729
4209 1 19 . 1 1 9 9 MET H H -1 8.467 8.467 7.744 0.723 17729
4210 1 19 . 1 1 10 10 GLY N N 0 109.518 109.518 113.064 -3.546 17729
4211 1 19 . 1 1 10 10 GLY CA C 0 45.367 45.367 45.536 -0.169 17729
4212 1 19 . 1 1 10 10 GLY H H 0 8.303 8.303 8.221 0.082 17729
4213 1 19 . 1 1 11 11 ASN N N 1 118.803 118.803 121.976 -3.173 17729
4214 1 19 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.853 -0.247 17729
4215 1 19 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.665 0.591 17729
4216 1 19 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.873 -0.979 17729
4217 1 19 . 1 1 11 11 ASN H H 1 8.275 8.275 8.297 -0.022 17729
4218 1 19 . 1 1 12 12 SER N N 2 115.840 115.840 116.980 -1.140 17729
4219 1 19 . 1 1 12 12 SER HA H 2 4.310 4.310 4.511 -0.201 17729
4220 1 19 . 1 1 12 12 SER CA C 2 58.559 58.559 58.326 0.233 17729
4221 1 19 . 1 1 12 12 SER CB C 2 63.659 63.659 63.111 0.548 17729
4222 1 19 . 1 1 12 12 SER H H 2 8.224 8.224 8.316 -0.092 17729
4223 1 19 . 1 1 13 13 SER N N 3 117.557 117.557 118.357 -0.800 17729
4224 1 19 . 1 1 13 13 SER HA H 3 4.304 4.304 4.218 0.086 17729
4225 1 19 . 1 1 13 13 SER CA C 3 58.541 58.541 58.559 -0.018 17729
4226 1 19 . 1 1 13 13 SER CB C 3 63.661 63.661 63.502 0.159 17729
4227 1 19 . 1 1 13 13 SER H H 3 8.228 8.228 7.550 0.678 17729
4228 1 19 . 1 1 14 14 LYS N N 4 122.301 122.301 124.170 -1.869 17729
4229 1 19 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.153 0.028 17729
4230 1 19 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.393 0.090 17729
4231 1 19 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.507 0.275 17729
4232 1 19 . 1 1 14 14 LYS H H 4 8.192 8.192 8.258 -0.066 17729
4233 1 19 . 1 1 15 15 GLY N N 5 109.122 109.122 107.489 1.633 17729
4234 1 19 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.302 0.241 17729
4235 1 19 . 1 1 15 15 GLY H H 5 8.275 8.275 8.319 -0.044 17729
4236 1 19 . 1 1 16 16 VAL N N 6 117.135 117.135 121.296 -4.161 17729
4237 1 19 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.601 -0.186 17729
4238 1 19 . 1 1 16 16 VAL CA C 6 60.773 60.773 58.785 1.988 17729
4239 1 19 . 1 1 16 16 VAL CB C 6 33.830 33.830 34.426 -0.596 17729
4240 1 19 . 1 1 16 16 VAL H H 6 7.522 7.522 7.690 -0.168 17729
4241 1 19 . 1 1 17 17 TYR N N 7 120.317 120.317 113.370 6.947 17729
4242 1 19 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.408 -1.027 17729
4243 1 19 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.666 0.826 17729
4244 1 19 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.246 -1.115 17729
4245 1 19 . 1 1 17 17 TYR H H 7 7.929 7.929 8.381 -0.452 17729
4246 1 19 . 1 1 18 18 TYR N N 8 117.105 117.105 120.501 -3.396 17729
4247 1 19 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.351 -0.025 17729
4248 1 19 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.462 -1.571 17729
4249 1 19 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.442 0.856 17729
4250 1 19 . 1 1 18 18 TYR H H 8 8.646 8.646 9.347 -0.701 17729
4251 1 19 . 1 1 19 19 ARG N N 9 122.698 122.698 124.027 -1.329 17729
4252 1 19 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.232 0.317 17729
4253 1 19 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.111 0.686 17729
4254 1 19 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.432 1.146 17729
4255 1 19 . 1 1 19 19 ARG H H 9 9.373 9.373 8.346 1.027 17729
4256 1 19 . 1 1 20 20 ASN N N 10 122.244 122.244 121.759 0.485 17729
4257 1 19 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.684 0.268 17729
4258 1 19 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.411 -1.447 17729
4259 1 19 . 1 1 20 20 ASN CB C 10 38.555 38.555 41.042 -2.487 17729
4260 1 19 . 1 1 20 20 ASN H H 10 7.651 7.651 7.733 -0.082 17729
4261 1 19 . 1 1 21 21 GLU N N 11 118.795 118.795 119.514 -0.719 17729
4262 1 19 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.951 -0.029 17729
4263 1 19 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.691 0.095 17729
4264 1 19 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.544 0.452 17729
4265 1 19 . 1 1 21 21 GLU H H 11 8.889 8.889 8.651 0.238 17729
4266 1 19 . 1 1 22 22 GLU N N 12 116.576 116.576 119.241 -2.665 17729
4267 1 19 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.105 0.017 17729
4268 1 19 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.566 -0.336 17729
4269 1 19 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.976 -0.587 17729
4270 1 19 . 1 1 22 22 GLU H H 12 7.280 7.280 8.263 -0.983 17729
4271 1 19 . 1 1 23 23 GLY N N 13 106.901 106.901 107.075 -0.174 17729
4272 1 19 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.159 -0.024 17729
4273 1 19 . 1 1 23 23 GLY H H 13 7.732 7.732 7.689 0.043 17729
4274 1 19 . 1 1 24 24 GLN N N 14 121.137 121.137 119.165 1.972 17729
4275 1 19 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.266 -0.140 17729
4276 1 19 . 1 1 24 24 GLN CA C 14 56.109 56.109 56.190 -0.081 17729
4277 1 19 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.781 -0.686 17729
4278 1 19 . 1 1 24 24 GLN H H 14 7.737 7.737 7.796 -0.059 17729
4279 1 19 . 1 1 25 25 THR N N 15 109.710 109.710 111.041 -1.331 17729
4280 1 19 . 1 1 25 25 THR HA H 15 5.829 5.829 5.745 0.084 17729
4281 1 19 . 1 1 25 25 THR CA C 15 60.280 60.280 60.355 -0.075 17729
4282 1 19 . 1 1 25 25 THR CB C 15 73.126 73.126 70.822 2.304 17729
4283 1 19 . 1 1 25 25 THR H H 15 8.351 8.351 8.384 -0.033 17729
4284 1 19 . 1 1 26 26 TRP N N 16 122.132 122.132 127.300 -5.168 17729
4285 1 19 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.199 0.076 17729
4286 1 19 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.067 0.571 17729
4287 1 19 . 1 1 26 26 TRP CB C 16 32.266 32.266 31.967 0.299 17729
4288 1 19 . 1 1 26 26 TRP H H 16 9.480 9.480 9.169 0.311 17729
4289 1 19 . 1 1 27 27 SER N N 17 124.023 124.023 124.026 -0.003 17729
4290 1 19 . 1 1 27 27 SER HA H 17 4.231 4.231 4.546 -0.315 17729
4291 1 19 . 1 1 27 27 SER CA C 17 59.522 59.522 60.578 -1.056 17729
4292 1 19 . 1 1 27 27 SER CB C 17 64.161 64.161 63.542 0.619 17729
4293 1 19 . 1 1 27 27 SER H H 17 8.802 8.802 9.099 -0.297 17729
4294 1 19 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.013 0.215 17729
4295 1 19 . 1 1 29 29 VAL N N 19 117.282 117.282 119.079 -1.797 17729
4296 1 19 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.455 -0.656 17729
4297 1 19 . 1 1 29 29 VAL CA C 19 60.724 60.724 59.923 0.801 17729
4298 1 19 . 1 1 29 29 VAL CB C 19 34.256 34.256 34.678 -0.422 17729
4299 1 19 . 1 1 29 29 VAL H H 19 6.540 6.540 7.499 -0.959 17729
4300 1 19 . 1 1 30 30 GLY N N 20 111.415 111.415 111.343 0.072 17729
4301 1 19 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.018 -0.400 17729
4302 1 19 . 1 1 30 30 GLY H H 20 8.348 8.348 8.818 -0.470 17729
4303 1 19 . 1 1 31 31 ARG N N 21 118.607 118.607 120.068 -1.461 17729
4304 1 19 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.937 -0.339 17729
4305 1 19 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.183 0.237 17729
4306 1 19 . 1 1 31 31 ARG H H 21 6.840 6.840 8.480 -1.640 17729
4307 1 19 . 1 1 32 32 GLN N N 22 119.299 119.299 117.361 1.938 17729
4308 1 19 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.482 -0.780 17729
4309 1 19 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.764 0.015 17729
4310 1 19 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.824 -2.654 17729
4311 1 19 . 1 1 32 32 GLN H H 22 6.214 6.214 8.043 -1.829 17729
4312 1 19 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.135 0.252 17729
4313 1 19 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.611 -1.097 17729
4314 1 19 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.703 0.479 17729
4315 1 19 . 1 1 34 34 ARG N N 24 123.469 123.469 119.815 3.654 17729
4316 1 19 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.925 -0.443 17729
4317 1 19 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.923 0.941 17729
4318 1 19 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.685 -0.207 17729
4319 1 19 . 1 1 34 34 ARG H H 24 9.154 9.154 8.613 0.541 17729
4320 1 19 . 1 1 35 35 TRP N N 25 113.687 113.687 116.656 -2.969 17729
4321 1 19 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.620 -0.526 17729
4322 1 19 . 1 1 35 35 TRP CA C 25 58.573 58.573 55.843 2.730 17729
4323 1 19 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.878 -0.853 17729
4324 1 19 . 1 1 35 35 TRP H H 25 7.813 7.813 7.314 0.499 17729
4325 1 19 . 1 1 36 36 LEU N N 26 125.176 125.176 124.107 1.069 17729
4326 1 19 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.929 -0.645 17729
4327 1 19 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.953 -1.567 17729
4328 1 19 . 1 1 36 36 LEU CB C 26 40.308 40.308 41.050 -0.742 17729
4329 1 19 . 1 1 36 36 LEU H H 26 5.622 5.622 7.042 -1.420 17729
4330 1 19 . 1 1 37 37 LYS N N 27 119.347 119.347 117.020 2.327 17729
4331 1 19 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.965 -0.499 17729
4332 1 19 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.358 0.319 17729
4333 1 19 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.699 -0.122 17729
4334 1 19 . 1 1 37 37 LYS H H 27 7.264 7.264 7.427 -0.163 17729
4335 1 19 . 1 1 38 38 GLU N N 28 116.166 116.166 120.015 -3.849 17729
4336 1 19 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.056 -0.318 17729
4337 1 19 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.935 0.210 17729
4338 1 19 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.970 0.210 17729
4339 1 19 . 1 1 38 38 GLU H H 28 8.355 8.355 7.731 0.624 17729
4340 1 19 . 1 1 39 39 ALA N N 29 122.540 122.540 120.915 1.625 17729
4341 1 19 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.139 0.048 17729
4342 1 19 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.705 0.659 17729
4343 1 19 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.570 -0.065 17729
4344 1 19 . 1 1 39 39 ALA H H 29 7.220 7.220 7.746 -0.526 17729
4345 1 19 . 1 1 40 40 LEU N N 30 119.110 119.110 120.648 -1.538 17729
4346 1 19 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.619 -0.402 17729
4347 1 19 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.585 -0.333 17729
4348 1 19 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.406 -2.213 17729
4349 1 19 . 1 1 40 40 LEU H H 30 8.143 8.143 7.659 0.484 17729
4350 1 19 . 1 1 41 41 LEU N N 31 121.655 121.655 115.844 5.811 17729
4351 1 19 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.200 -0.158 17729
4352 1 19 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.877 0.370 17729
4353 1 19 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.081 0.579 17729
4354 1 19 . 1 1 41 41 LEU H H 31 7.754 7.754 8.296 -0.542 17729
4355 1 19 . 1 1 42 42 ASN N N 32 116.379 116.379 117.117 -0.738 17729
4356 1 19 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.678 0.068 17729
4357 1 19 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.549 -0.497 17729
4358 1 19 . 1 1 42 42 ASN CB C 32 39.237 39.237 38.481 0.756 17729
4359 1 19 . 1 1 42 42 ASN H H 32 7.475 7.475 7.796 -0.321 17729
4360 1 19 . 1 1 43 43 GLY N N 33 106.130 106.130 107.838 -1.708 17729
4361 1 19 . 1 1 43 43 GLY CA C 33 45.811 45.811 45.229 0.582 17729
4362 1 19 . 1 1 43 43 GLY H H 33 7.674 7.674 7.829 -0.155 17729
4363 1 19 . 1 1 44 44 MET N N 34 118.621 118.621 114.551 4.070 17729
4364 1 19 . 1 1 44 44 MET HA H 34 4.527 4.527 4.972 -0.445 17729
4365 1 19 . 1 1 44 44 MET CA C 34 55.077 55.077 54.177 0.900 17729
4366 1 19 . 1 1 44 44 MET CB C 34 32.646 32.646 35.791 -3.145 17729
4367 1 19 . 1 1 44 44 MET H H 34 7.731 7.731 7.450 0.281 17729
4368 1 19 . 1 1 45 45 LYS N N 35 117.415 117.415 120.084 -2.669 17729
4369 1 19 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.555 0.118 17729
4370 1 19 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.691 -1.574 17729
4371 1 19 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.325 1.512 17729
4372 1 19 . 1 1 45 45 LYS H H 35 8.594 8.594 8.760 -0.166 17729
4373 1 19 . 1 1 46 46 LYS N N 36 122.938 122.938 121.378 1.560 17729
4374 1 19 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.072 0.744 17729
4375 1 19 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.612 2.707 17729
4376 1 19 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.383 0.850 17729
4377 1 19 . 1 1 46 46 LYS H H 36 9.050 9.050 8.770 0.280 17729
4378 1 19 . 1 1 47 47 GLU N N 37 114.163 114.163 119.254 -5.091 17729
4379 1 19 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.158 -0.109 17729
4380 1 19 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.334 0.404 17729
4381 1 19 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.709 -0.179 17729
4382 1 19 . 1 1 47 47 GLU H H 37 9.129 9.129 8.567 0.562 17729
4383 1 19 . 1 1 48 48 ASP N N 38 119.868 119.868 118.737 1.131 17729
4384 1 19 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.526 -0.324 17729
4385 1 19 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.190 -0.290 17729
4386 1 19 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.521 -1.341 17729
4387 1 19 . 1 1 48 48 ASP H H 38 7.829 7.829 7.575 0.254 17729
4388 1 19 . 1 1 49 49 PHE N N 39 116.115 116.115 112.791 3.324 17729
4389 1 19 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.925 -0.180 17729
4390 1 19 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.327 2.137 17729
4391 1 19 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.737 2.659 17729
4392 1 19 . 1 1 49 49 PHE H H 39 7.909 7.909 6.930 0.979 17729
4393 1 19 . 1 1 50 50 LEU N N 40 122.224 122.224 124.233 -2.009 17729
4394 1 19 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.349 -0.453 17729
4395 1 19 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.259 1.938 17729
4396 1 19 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.703 0.887 17729
4397 1 19 . 1 1 50 50 LEU H H 40 6.974 6.974 7.477 -0.503 17729
4398 1 19 . 1 1 51 51 VAL N N 41 127.077 127.077 121.034 6.043 17729
4399 1 19 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.507 -0.645 17729
4400 1 19 . 1 1 51 51 VAL CA C 41 61.739 61.739 58.821 2.918 17729
4401 1 19 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.287 -0.954 17729
4402 1 19 . 1 1 51 51 VAL H H 41 8.648 8.648 8.538 0.110 17729
4403 1 19 . 1 1 52 52 LYS N N 42 123.896 123.896 121.566 2.330 17729
4404 1 19 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.265 0.122 17729
4405 1 19 . 1 1 52 52 LYS CA C 42 55.341 55.341 53.616 1.725 17729
4406 1 19 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.255 -0.442 17729
4407 1 19 . 1 1 52 52 LYS H H 42 8.077 8.077 7.985 0.092 17729
4408 1 19 . 1 1 53 53 ASP N N 43 122.944 122.944 118.001 4.943 17729
4409 1 19 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.216 0.318 17729
4410 1 19 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.239 -1.912 17729
4411 1 19 . 1 1 53 53 ASP CB C 43 41.138 41.138 40.832 0.306 17729
4412 1 19 . 1 1 53 53 ASP H H 43 8.332 8.332 8.225 0.107 17729
4413 1 19 . 1 1 54 54 THR N N 44 113.734 113.734 113.653 0.081 17729
4414 1 19 . 1 1 54 54 THR HA H 44 4.184 4.184 4.342 -0.158 17729
4415 1 19 . 1 1 54 54 THR CA C 44 61.564 61.564 61.519 0.045 17729
4416 1 19 . 1 1 54 54 THR CB C 44 69.719 69.719 70.359 -0.640 17729
4417 1 19 . 1 1 54 54 THR H H 44 7.950 7.950 7.462 0.488 17729
4418 1 19 . 1 1 55 55 GLU N N 45 122.650 122.650 121.415 1.235 17729
4419 1 19 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.878 0.285 17729
4420 1 19 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.086 -0.659 17729
4421 1 19 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.764 1.413 17729
4422 1 19 . 1 1 55 55 GLU H H 45 8.289 8.289 8.757 -0.468 17729
4423 1 19 . 1 1 56 56 GLU N N 46 121.892 121.892 118.269 3.623 17729
4424 1 19 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.383 -0.238 17729
4425 1 19 . 1 1 56 56 GLU CA C 46 56.355 56.355 56.411 -0.056 17729
4426 1 19 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.456 -0.014 17729
4427 1 19 . 1 1 56 56 GLU H H 46 8.192 8.192 8.213 -0.020 17729
4428 1 20 . 1 1 7 7 HIS N N -3 120.845 120.845 126.999 -6.154 17729
4429 1 20 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.701 -0.169 17729
4430 1 20 . 1 1 7 7 HIS CA C -3 55.523 55.523 55.467 0.056 17729
4431 1 20 . 1 1 7 7 HIS CB C -3 29.612 29.612 31.281 -1.669 17729
4432 1 20 . 1 1 7 7 HIS H H -3 8.599 8.599 8.453 0.146 17729
4433 1 20 . 1 1 8 8 SER N N -2 117.754 117.754 119.469 -1.715 17729
4434 1 20 . 1 1 8 8 SER HA H -2 4.295 4.295 4.283 0.012 17729
4435 1 20 . 1 1 8 8 SER CA C -2 58.301 58.301 60.945 -2.644 17729
4436 1 20 . 1 1 8 8 SER CB C -2 63.759 63.759 63.798 -0.039 17729
4437 1 20 . 1 1 8 8 SER H H -2 8.407 8.407 8.634 -0.227 17729
4438 1 20 . 1 1 9 9 MET N N -1 122.201 122.201 117.262 4.939 17729
4439 1 20 . 1 1 9 9 MET HA H -1 4.371 4.371 4.732 -0.361 17729
4440 1 20 . 1 1 9 9 MET CA C -1 55.513 55.513 55.171 0.342 17729
4441 1 20 . 1 1 9 9 MET CB C -1 32.610 32.610 35.063 -2.453 17729
4442 1 20 . 1 1 9 9 MET H H -1 8.467 8.467 7.446 1.021 17729
4443 1 20 . 1 1 10 10 GLY N N 0 109.518 109.518 109.151 0.367 17729
4444 1 20 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.594 0.773 17729
4445 1 20 . 1 1 10 10 GLY H H 0 8.303 8.303 8.431 -0.128 17729
4446 1 20 . 1 1 11 11 ASN N N 1 118.803 118.803 119.470 -0.667 17729
4447 1 20 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.837 -0.231 17729
4448 1 20 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.804 0.452 17729
4449 1 20 . 1 1 11 11 ASN CB C 1 38.894 38.894 40.062 -1.168 17729
4450 1 20 . 1 1 11 11 ASN H H 1 8.275 8.275 8.500 -0.225 17729
4451 1 20 . 1 1 12 12 SER N N 2 115.840 115.840 118.052 -2.212 17729
4452 1 20 . 1 1 12 12 SER HA H 2 4.310 4.310 4.464 -0.154 17729
4453 1 20 . 1 1 12 12 SER CA C 2 58.559 58.559 58.574 -0.015 17729
4454 1 20 . 1 1 12 12 SER CB C 2 63.659 63.659 63.680 -0.021 17729
4455 1 20 . 1 1 12 12 SER H H 2 8.224 8.224 8.573 -0.349 17729
4456 1 20 . 1 1 13 13 SER N N 3 117.557 117.557 119.106 -1.549 17729
4457 1 20 . 1 1 13 13 SER HA H 3 4.304 4.304 4.242 0.062 17729
4458 1 20 . 1 1 13 13 SER CA C 3 58.541 58.541 59.319 -0.778 17729
4459 1 20 . 1 1 13 13 SER CB C 3 63.661 63.661 64.094 -0.433 17729
4460 1 20 . 1 1 13 13 SER H H 3 8.228 8.228 7.784 0.444 17729
4461 1 20 . 1 1 14 14 LYS N N 4 122.301 122.301 121.513 0.788 17729
4462 1 20 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.067 0.114 17729
4463 1 20 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.800 -0.317 17729
4464 1 20 . 1 1 14 14 LYS CB C 4 32.782 32.782 32.382 0.400 17729
4465 1 20 . 1 1 14 14 LYS H H 4 8.192 8.192 8.084 0.108 17729
4466 1 20 . 1 1 15 15 GLY N N 5 109.122 109.122 106.835 2.287 17729
4467 1 20 . 1 1 15 15 GLY CA C 5 45.543 45.543 44.820 0.723 17729
4468 1 20 . 1 1 15 15 GLY H H 5 8.275 8.275 8.231 0.044 17729
4469 1 20 . 1 1 16 16 VAL N N 6 117.135 117.135 120.646 -3.511 17729
4470 1 20 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.249 0.166 17729
4471 1 20 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.340 1.433 17729
4472 1 20 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.626 0.204 17729
4473 1 20 . 1 1 16 16 VAL H H 6 7.522 7.522 7.711 -0.189 17729
4474 1 20 . 1 1 17 17 TYR N N 7 120.317 120.317 117.265 3.052 17729
4475 1 20 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.199 -0.818 17729
4476 1 20 . 1 1 17 17 TYR CA C 7 56.492 56.492 56.556 -0.064 17729
4477 1 20 . 1 1 17 17 TYR CB C 7 39.131 39.131 41.800 -2.669 17729
4478 1 20 . 1 1 17 17 TYR H H 7 7.929 7.929 8.505 -0.576 17729
4479 1 20 . 1 1 18 18 TYR N N 8 117.105 117.105 123.422 -6.317 17729
4480 1 20 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.253 0.073 17729
4481 1 20 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.733 -1.842 17729
4482 1 20 . 1 1 18 18 TYR CB C 8 41.298 41.298 39.955 1.343 17729
4483 1 20 . 1 1 18 18 TYR H H 8 8.646 8.646 9.645 -0.999 17729
4484 1 20 . 1 1 19 19 ARG N N 9 122.698 122.698 125.728 -3.030 17729
4485 1 20 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.348 0.201 17729
4486 1 20 . 1 1 19 19 ARG CA C 9 54.797 54.797 53.855 0.942 17729
4487 1 20 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.464 1.114 17729
4488 1 20 . 1 1 19 19 ARG H H 9 9.373 9.373 8.076 1.297 17729
4489 1 20 . 1 1 20 20 ASN N N 10 122.244 122.244 121.124 1.120 17729
4490 1 20 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.607 0.345 17729
4491 1 20 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.335 -1.371 17729
4492 1 20 . 1 1 20 20 ASN CB C 10 38.555 38.555 41.057 -2.502 17729
4493 1 20 . 1 1 20 20 ASN H H 10 7.651 7.651 7.714 -0.063 17729
4494 1 20 . 1 1 21 21 GLU N N 11 118.795 118.795 120.151 -1.356 17729
4495 1 20 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.937 -0.015 17729
4496 1 20 . 1 1 21 21 GLU CA C 11 58.786 58.786 59.070 -0.284 17729
4497 1 20 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.495 0.500 17729
4498 1 20 . 1 1 21 21 GLU H H 11 8.889 8.889 8.726 0.163 17729
4499 1 20 . 1 1 22 22 GLU N N 12 116.576 116.576 118.781 -2.205 17729
4500 1 20 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.127 -0.005 17729
4501 1 20 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.334 -0.104 17729
4502 1 20 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.918 -0.529 17729
4503 1 20 . 1 1 22 22 GLU H H 12 7.280 7.280 8.407 -1.127 17729
4504 1 20 . 1 1 23 23 GLY N N 13 106.901 106.901 107.314 -0.413 17729
4505 1 20 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.154 -0.019 17729
4506 1 20 . 1 1 23 23 GLY H H 13 7.732 7.732 7.739 -0.007 17729
4507 1 20 . 1 1 24 24 GLN N N 14 121.137 121.137 118.222 2.915 17729
4508 1 20 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.292 -0.166 17729
4509 1 20 . 1 1 24 24 GLN CA C 14 56.109 56.109 54.886 1.223 17729
4510 1 20 . 1 1 24 24 GLN CB C 14 28.095 28.095 29.199 -1.104 17729
4511 1 20 . 1 1 24 24 GLN H H 14 7.737 7.737 7.752 -0.015 17729
4512 1 20 . 1 1 25 25 THR N N 15 109.710 109.710 109.989 -0.279 17729
4513 1 20 . 1 1 25 25 THR HA H 15 5.829 5.829 5.860 -0.031 17729
4514 1 20 . 1 1 25 25 THR CA C 15 60.280 60.280 59.486 0.794 17729
4515 1 20 . 1 1 25 25 THR CB C 15 73.126 73.126 71.562 1.564 17729
4516 1 20 . 1 1 25 25 THR H H 15 8.351 8.351 8.329 0.022 17729
4517 1 20 . 1 1 26 26 TRP N N 16 122.132 122.132 126.072 -3.940 17729
4518 1 20 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.309 -0.034 17729
4519 1 20 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.631 0.007 17729
4520 1 20 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.603 -0.338 17729
4521 1 20 . 1 1 26 26 TRP H H 16 9.480 9.480 9.106 0.374 17729
4522 1 20 . 1 1 27 27 SER N N 17 124.023 124.023 122.264 1.759 17729
4523 1 20 . 1 1 27 27 SER HA H 17 4.231 4.231 4.567 -0.336 17729
4524 1 20 . 1 1 27 27 SER CA C 17 59.522 59.522 59.965 -0.443 17729
4525 1 20 . 1 1 27 27 SER CB C 17 64.161 64.161 63.887 0.274 17729
4526 1 20 . 1 1 27 27 SER H H 17 8.802 8.802 8.835 -0.033 17729
4527 1 20 . 1 1 28 28 GLY CA C 18 44.228 44.228 43.728 0.500 17729
4528 1 20 . 1 1 29 29 VAL N N 19 117.282 117.282 120.767 -3.485 17729
4529 1 20 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.294 -0.495 17729
4530 1 20 . 1 1 29 29 VAL CA C 19 60.724 60.724 61.288 -0.564 17729
4531 1 20 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.045 1.211 17729
4532 1 20 . 1 1 29 29 VAL H H 19 6.540 6.540 7.514 -0.974 17729
4533 1 20 . 1 1 30 30 GLY N N 20 111.415 111.415 113.433 -2.018 17729
4534 1 20 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.004 -0.386 17729
4535 1 20 . 1 1 30 30 GLY H H 20 8.348 8.348 8.433 -0.085 17729
4536 1 20 . 1 1 31 31 ARG N N 21 118.607 118.607 120.153 -1.546 17729
4537 1 20 . 1 1 31 31 ARG HA H 21 3.598 3.598 3.922 -0.324 17729
4538 1 20 . 1 1 31 31 ARG CA C 21 57.420 57.420 57.236 0.184 17729
4539 1 20 . 1 1 31 31 ARG H H 21 6.840 6.840 8.208 -1.368 17729
4540 1 20 . 1 1 32 32 GLN N N 22 119.299 119.299 116.774 2.525 17729
4541 1 20 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.827 -1.125 17729
4542 1 20 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.884 -0.104 17729
4543 1 20 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.934 -2.764 17729
4544 1 20 . 1 1 32 32 GLN H H 22 6.214 6.214 8.118 -1.905 17729
4545 1 20 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.299 0.088 17729
4546 1 20 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.692 -1.178 17729
4547 1 20 . 1 1 33 33 PRO CB C 23 32.182 32.182 31.896 0.286 17729
4548 1 20 . 1 1 34 34 ARG N N 24 123.469 123.469 121.153 2.316 17729
4549 1 20 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.882 -0.400 17729
4550 1 20 . 1 1 34 34 ARG CA C 24 59.864 59.864 58.934 0.930 17729
4551 1 20 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.605 -0.127 17729
4552 1 20 . 1 1 34 34 ARG H H 24 9.154 9.154 8.684 0.470 17729
4553 1 20 . 1 1 35 35 TRP N N 25 113.687 113.687 117.248 -3.561 17729
4554 1 20 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.504 -0.410 17729
4555 1 20 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.254 2.319 17729
4556 1 20 . 1 1 35 35 TRP CB C 25 27.025 27.025 27.951 -0.926 17729
4557 1 20 . 1 1 35 35 TRP H H 25 7.813 7.813 7.410 0.403 17729
4558 1 20 . 1 1 36 36 LEU N N 26 125.176 125.176 122.874 2.302 17729
4559 1 20 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.914 -0.630 17729
4560 1 20 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.695 -1.309 17729
4561 1 20 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.901 -0.593 17729
4562 1 20 . 1 1 36 36 LEU H H 26 5.622 5.622 7.370 -1.748 17729
4563 1 20 . 1 1 37 37 LYS N N 27 119.347 119.347 118.155 1.192 17729
4564 1 20 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.923 -0.457 17729
4565 1 20 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.287 0.390 17729
4566 1 20 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.780 -0.203 17729
4567 1 20 . 1 1 37 37 LYS H H 27 7.264 7.264 7.380 -0.116 17729
4568 1 20 . 1 1 38 38 GLU N N 28 116.166 116.166 119.824 -3.658 17729
4569 1 20 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.027 -0.289 17729
4570 1 20 . 1 1 38 38 GLU CA C 28 59.145 59.145 59.098 0.047 17729
4571 1 20 . 1 1 38 38 GLU CB C 28 29.180 29.180 28.965 0.215 17729
4572 1 20 . 1 1 38 38 GLU H H 28 8.355 8.355 7.725 0.630 17729
4573 1 20 . 1 1 39 39 ALA N N 29 122.540 122.540 121.043 1.497 17729
4574 1 20 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.171 0.016 17729
4575 1 20 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.695 0.669 17729
4576 1 20 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.569 -0.064 17729
4577 1 20 . 1 1 39 39 ALA H H 29 7.220 7.220 7.500 -0.280 17729
4578 1 20 . 1 1 40 40 LEU N N 30 119.110 119.110 120.695 -1.585 17729
4579 1 20 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.538 -0.321 17729
4580 1 20 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.814 -0.562 17729
4581 1 20 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.585 -2.392 17729
4582 1 20 . 1 1 40 40 LEU H H 30 8.143 8.143 7.768 0.375 17729
4583 1 20 . 1 1 41 41 LEU N N 31 121.655 121.655 115.545 6.110 17729
4584 1 20 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.202 -0.160 17729
4585 1 20 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.896 0.351 17729
4586 1 20 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.160 0.500 17729
4587 1 20 . 1 1 41 41 LEU H H 31 7.754 7.754 8.352 -0.598 17729
4588 1 20 . 1 1 42 42 ASN N N 32 116.379 116.379 117.697 -1.318 17729
4589 1 20 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.645 0.101 17729
4590 1 20 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.922 -0.870 17729
4591 1 20 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.179 0.058 17729
4592 1 20 . 1 1 42 42 ASN H H 32 7.475 7.475 7.882 -0.407 17729
4593 1 20 . 1 1 43 43 GLY N N 33 106.130 106.130 107.235 -1.105 17729
4594 1 20 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.961 0.850 17729
4595 1 20 . 1 1 43 43 GLY H H 33 7.674 7.674 7.835 -0.161 17729
4596 1 20 . 1 1 44 44 MET N N 34 118.621 118.621 116.201 2.420 17729
4597 1 20 . 1 1 44 44 MET HA H 34 4.527 4.527 4.969 -0.442 17729
4598 1 20 . 1 1 44 44 MET CA C 34 55.077 55.077 54.466 0.611 17729
4599 1 20 . 1 1 44 44 MET CB C 34 32.646 32.646 35.923 -3.277 17729
4600 1 20 . 1 1 44 44 MET H H 34 7.731 7.731 7.357 0.374 17729
4601 1 20 . 1 1 45 45 LYS N N 35 117.415 117.415 120.009 -2.594 17729
4602 1 20 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.664 0.009 17729
4603 1 20 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.508 -1.391 17729
4604 1 20 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.653 1.184 17729
4605 1 20 . 1 1 45 45 LYS H H 35 8.594 8.594 8.194 0.400 17729
4606 1 20 . 1 1 46 46 LYS N N 36 122.938 122.938 120.862 2.076 17729
4607 1 20 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.277 0.539 17729
4608 1 20 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.773 2.546 17729
4609 1 20 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.502 0.731 17729
4610 1 20 . 1 1 46 46 LYS H H 36 9.050 9.050 8.787 0.263 17729
4611 1 20 . 1 1 47 47 GLU N N 37 114.163 114.163 119.434 -5.271 17729
4612 1 20 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.073 -0.024 17729
4613 1 20 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.453 0.285 17729
4614 1 20 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.792 -0.262 17729
4615 1 20 . 1 1 47 47 GLU H H 37 9.129 9.129 8.630 0.499 17729
4616 1 20 . 1 1 48 48 ASP N N 38 119.868 119.868 119.090 0.778 17729
4617 1 20 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.306 -0.104 17729
4618 1 20 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.318 -0.418 17729
4619 1 20 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.537 -1.357 17729
4620 1 20 . 1 1 48 48 ASP H H 38 7.829 7.829 7.701 0.128 17729
4621 1 20 . 1 1 49 49 PHE N N 39 116.115 116.115 112.634 3.481 17729
4622 1 20 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.906 -0.161 17729
4623 1 20 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.257 2.207 17729
4624 1 20 . 1 1 49 49 PHE CB C 39 40.396 40.396 37.904 2.492 17729
4625 1 20 . 1 1 49 49 PHE H H 39 7.909 7.909 6.925 0.984 17729
4626 1 20 . 1 1 50 50 LEU N N 40 122.224 122.224 125.371 -3.147 17729
4627 1 20 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.103 -0.207 17729
4628 1 20 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.369 1.828 17729
4629 1 20 . 1 1 50 50 LEU CB C 40 43.590 43.590 41.095 2.495 17729
4630 1 20 . 1 1 50 50 LEU H H 40 6.974 6.974 7.474 -0.500 17729
4631 1 20 . 1 1 51 51 VAL N N 41 127.077 127.077 124.114 2.963 17729
4632 1 20 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.160 -0.298 17729
4633 1 20 . 1 1 51 51 VAL CA C 41 61.739 61.739 62.382 -0.643 17729
4634 1 20 . 1 1 51 51 VAL CB C 41 33.333 33.333 33.112 0.221 17729
4635 1 20 . 1 1 51 51 VAL H H 41 8.648 8.648 8.274 0.374 17729
4636 1 20 . 1 1 52 52 LYS N N 42 123.896 123.896 120.793 3.103 17729
4637 1 20 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.646 -0.259 17729
4638 1 20 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.825 0.516 17729
4639 1 20 . 1 1 52 52 LYS CB C 42 33.813 33.813 35.227 -1.415 17729
4640 1 20 . 1 1 52 52 LYS H H 42 8.077 8.077 7.804 0.273 17729
4641 1 20 . 1 1 53 53 ASP N N 43 122.944 122.944 120.328 2.616 17729
4642 1 20 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.514 0.020 17729
4643 1 20 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.793 -2.466 17729
4644 1 20 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.288 -0.150 17729
4645 1 20 . 1 1 53 53 ASP H H 43 8.332 8.332 8.404 -0.072 17729
4646 1 20 . 1 1 54 54 THR N N 44 113.734 113.734 115.597 -1.863 17729
4647 1 20 . 1 1 54 54 THR HA H 44 4.184 4.184 4.453 -0.269 17729
4648 1 20 . 1 1 54 54 THR CA C 44 61.564 61.564 62.224 -0.660 17729
4649 1 20 . 1 1 54 54 THR CB C 44 69.719 69.719 69.603 0.116 17729
4650 1 20 . 1 1 54 54 THR H H 44 7.950 7.950 8.100 -0.150 17729
4651 1 20 . 1 1 55 55 GLU N N 45 122.650 122.650 124.316 -1.666 17729
4652 1 20 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.932 0.231 17729
4653 1 20 . 1 1 55 55 GLU CA C 45 56.427 56.427 56.790 -0.363 17729
4654 1 20 . 1 1 55 55 GLU CB C 45 30.177 30.177 30.009 0.168 17729
4655 1 20 . 1 1 55 55 GLU H H 45 8.289 8.289 8.782 -0.493 17729
4656 1 20 . 1 1 56 56 GLU N N 46 121.892 121.892 121.435 0.457 17729
4657 1 20 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.513 -0.368 17729
4658 1 20 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.800 0.555 17729
4659 1 20 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.635 -0.193 17729
4660 1 20 . 1 1 56 56 GLU H H 46 8.192 8.192 8.219 -0.027 17729
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 48 3.211 0.293 3.232 17729
2 1 1 "Average Difference" HA 56 0.477 0.159 0.453 17729
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17729
4 1 1 "Average Difference" CA 50 1.103 -0.114 1.108 17729
5 1 1 "Average Difference" CB 43 1.270 0.043 1.284 17729
6 1 1 "Average Difference" HN 48 0.583 0.111 0.578 17729
7 1 2 "Average Difference" N 48 3.297 0.307 3.317 17729
8 1 2 "Average Difference" HA 56 0.478 0.160 0.454 17729
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17729
10 1 2 "Average Difference" CA 50 1.194 -0.135 1.199 17729
11 1 2 "Average Difference" CB 43 1.234 0.121 1.243 17729
12 1 2 "Average Difference" HN 48 0.607 0.117 0.602 17729
13 1 3 "Average Difference" N 48 2.785 -0.230 2.805 17729
14 1 3 "Average Difference" HA 56 0.483 0.143 0.465 17729
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17729
16 1 3 "Average Difference" CA 50 1.097 -0.151 1.098 17729
17 1 3 "Average Difference" CB 43 1.313 0.203 1.313 17729
18 1 3 "Average Difference" HN 48 0.643 0.107 0.641 17729
19 1 4 "Average Difference" N 48 3.236 0.134 3.268 17729
20 1 4 "Average Difference" HA 56 0.466 0.142 0.448 17729
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17729
22 1 4 "Average Difference" CA 50 1.041 -0.052 1.050 17729
23 1 4 "Average Difference" CB 43 1.256 0.106 1.266 17729
24 1 4 "Average Difference" HN 48 0.570 0.100 0.567 17729
25 1 5 "Average Difference" N 48 2.899 -0.036 2.930 17729
26 1 5 "Average Difference" HA 56 0.477 0.139 0.461 17729
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17729
28 1 5 "Average Difference" CA 50 1.110 -0.104 1.116 17729
29 1 5 "Average Difference" CB 43 1.312 0.238 1.306 17729
30 1 5 "Average Difference" HN 48 0.637 0.095 0.637 17729
31 1 6 "Average Difference" N 48 3.371 0.068 3.406 17729
32 1 6 "Average Difference" HA 56 0.497 0.168 0.472 17729
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17729
34 1 6 "Average Difference" CA 50 1.214 -0.174 1.214 17729
35 1 6 "Average Difference" CB 43 1.342 0.126 1.352 17729
36 1 6 "Average Difference" HN 48 0.603 0.144 0.592 17729
37 1 7 "Average Difference" N 48 2.902 0.116 2.931 17729
38 1 7 "Average Difference" HA 56 0.494 0.133 0.481 17729
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17729
40 1 7 "Average Difference" CA 50 1.080 -0.053 1.090 17729
41 1 7 "Average Difference" CB 43 1.455 0.253 1.450 17729
42 1 7 "Average Difference" HN 48 0.628 0.105 0.626 17729
43 1 8 "Average Difference" N 48 3.266 0.224 3.293 17729
44 1 8 "Average Difference" HA 56 0.493 0.151 0.474 17729
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17729
46 1 8 "Average Difference" CA 50 1.132 -0.150 1.134 17729
47 1 8 "Average Difference" CB 43 1.236 0.112 1.246 17729
48 1 8 "Average Difference" HN 48 0.629 0.108 0.627 17729
49 1 9 "Average Difference" N 48 3.200 0.157 3.230 17729
50 1 9 "Average Difference" HA 56 0.473 0.138 0.457 17729
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17729
52 1 9 "Average Difference" CA 50 1.134 -0.102 1.141 17729
53 1 9 "Average Difference" CB 43 1.280 0.071 1.293 17729
54 1 9 "Average Difference" HN 48 0.624 0.095 0.623 17729
55 1 10 "Average Difference" N 48 2.839 0.082 2.867 17729
56 1 10 "Average Difference" HA 56 0.472 0.153 0.450 17729
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17729
58 1 10 "Average Difference" CA 50 1.154 -0.216 1.145 17729
59 1 10 "Average Difference" CB 43 1.445 0.258 1.438 17729
60 1 10 "Average Difference" HN 48 0.667 0.077 0.670 17729
61 1 11 "Average Difference" N 48 2.876 -0.018 2.906 17729
62 1 11 "Average Difference" HA 56 0.504 0.157 0.483 17729
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17729
64 1 11 "Average Difference" CA 50 1.026 -0.088 1.032 17729
65 1 11 "Average Difference" CB 43 1.350 0.134 1.359 17729
66 1 11 "Average Difference" HN 48 0.610 0.076 0.612 17729
67 1 12 "Average Difference" N 48 3.072 -0.050 3.105 17729
68 1 12 "Average Difference" HA 56 0.479 0.133 0.464 17729
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17729
70 1 12 "Average Difference" CA 50 1.023 -0.146 1.023 17729
71 1 12 "Average Difference" CB 43 1.305 0.236 1.298 17729
72 1 12 "Average Difference" HN 48 0.600 0.087 0.600 17729
73 1 13 "Average Difference" N 48 2.933 -0.188 2.958 17729
74 1 13 "Average Difference" HA 56 0.477 0.141 0.459 17729
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17729
76 1 13 "Average Difference" CA 50 1.122 -0.125 1.127 17729
77 1 13 "Average Difference" CB 43 1.449 0.391 1.412 17729
78 1 13 "Average Difference" HN 48 0.651 0.120 0.647 17729
79 1 14 "Average Difference" N 48 3.269 0.298 3.290 17729
80 1 14 "Average Difference" HA 56 0.481 0.141 0.463 17729
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17729
82 1 14 "Average Difference" CA 50 1.151 -0.088 1.160 17729
83 1 14 "Average Difference" CB 43 1.398 0.152 1.407 17729
84 1 14 "Average Difference" HN 48 0.613 0.161 0.598 17729
85 1 15 "Average Difference" N 48 2.887 0.161 2.913 17729
86 1 15 "Average Difference" HA 56 0.487 0.137 0.471 17729
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17729
88 1 15 "Average Difference" CA 50 1.091 -0.086 1.098 17729
89 1 15 "Average Difference" CB 43 1.366 0.166 1.372 17729
90 1 15 "Average Difference" HN 48 0.580 0.091 0.579 17729
91 1 16 "Average Difference" N 48 2.747 0.304 2.759 17729
92 1 16 "Average Difference" HA 56 0.496 0.138 0.481 17729
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17729
94 1 16 "Average Difference" CA 50 1.112 -0.119 1.117 17729
95 1 16 "Average Difference" CB 43 1.541 0.204 1.545 17729
96 1 16 "Average Difference" HN 48 0.667 0.109 0.665 17729
97 1 17 "Average Difference" N 48 2.940 -0.110 2.969 17729
98 1 17 "Average Difference" HA 56 0.488 0.162 0.464 17729
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17729
100 1 17 "Average Difference" CA 50 1.134 -0.151 1.135 17729
101 1 17 "Average Difference" CB 43 1.368 0.265 1.358 17729
102 1 17 "Average Difference" HN 48 0.609 0.090 0.608 17729
103 1 18 "Average Difference" N 48 3.049 0.109 3.079 17729
104 1 18 "Average Difference" HA 56 0.504 0.163 0.481 17729
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17729
106 1 18 "Average Difference" CA 50 1.154 -0.125 1.159 17729
107 1 18 "Average Difference" CB 43 1.234 0.206 1.231 17729
108 1 18 "Average Difference" HN 48 0.636 0.139 0.627 17729
109 1 19 "Average Difference" N 48 2.964 0.090 2.994 17729
110 1 19 "Average Difference" HA 56 0.485 0.148 0.466 17729
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17729
112 1 19 "Average Difference" CA 50 1.120 -0.216 1.110 17729
113 1 19 "Average Difference" CB 43 1.251 0.181 1.252 17729
114 1 19 "Average Difference" HN 48 0.602 0.076 0.603 17729
115 1 20 "Average Difference" N 48 2.858 0.315 2.871 17729
116 1 20 "Average Difference" HA 56 0.471 0.144 0.452 17729
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17729
118 1 20 "Average Difference" CA 50 1.070 -0.055 1.080 17729
119 1 20 "Average Difference" CB 43 1.338 0.269 1.327 17729
120 1 20 "Average Difference" HN 48 0.636 0.084 0.637 17729
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 17729
_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 7 7 HIS N N -3 120.845 120.845 119.909 0.936 17729
2 1 . 1 1 7 7 HIS HA H -3 4.532 4.532 4.523 0.009 17729
3 1 . 1 1 7 7 HIS CA C -3 55.523 55.523 56.029 -0.506 17729
4 1 . 1 1 7 7 HIS CB C -3 29.612 29.612 29.786 -0.174 17729
5 1 . 1 1 7 7 HIS H H -3 8.599 8.599 8.384 0.215 17729
6 1 . 1 1 8 8 SER N N -2 117.754 117.754 118.440 -0.686 17729
7 1 . 1 1 8 8 SER HA H -2 4.295 4.295 4.308 -0.013 17729
8 1 . 1 1 8 8 SER CA C -2 58.301 58.301 59.705 -1.404 17729
9 1 . 1 1 8 8 SER CB C -2 63.759 63.759 64.120 -0.361 17729
10 1 . 1 1 8 8 SER H H -2 8.407 8.407 8.070 0.337 17729
11 1 . 1 1 9 9 MET N N -1 122.201 122.201 118.619 3.582 17729
12 1 . 1 1 9 9 MET HA H -1 4.371 4.371 4.457 -0.086 17729
13 1 . 1 1 9 9 MET CA C -1 55.513 55.513 55.530 -0.017 17729
14 1 . 1 1 9 9 MET CB C -1 32.610 32.610 34.020 -1.410 17729
15 1 . 1 1 9 9 MET H H -1 8.467 8.467 7.801 0.666 17729
16 1 . 1 1 10 10 GLY N N 0 109.518 109.518 109.047 0.471 17729
17 1 . 1 1 10 10 GLY CA C 0 45.367 45.367 44.982 0.385 17729
18 1 . 1 1 10 10 GLY H H 0 8.303 8.303 8.373 -0.070 17729
19 1 . 1 1 11 11 ASN N N 1 118.803 118.803 120.599 -1.796 17729
20 1 . 1 1 11 11 ASN HA H 1 4.606 4.606 4.859 -0.253 17729
21 1 . 1 1 11 11 ASN CA C 1 53.256 53.256 52.979 0.277 17729
22 1 . 1 1 11 11 ASN CB C 1 38.894 38.894 39.760 -0.866 17729
23 1 . 1 1 11 11 ASN H H 1 8.275 8.275 8.418 -0.143 17729
24 1 . 1 1 12 12 SER N N 2 115.840 115.840 117.050 -1.210 17729
25 1 . 1 1 12 12 SER HA H 2 4.310 4.310 4.521 -0.211 17729
26 1 . 1 1 12 12 SER CA C 2 58.559 58.559 58.486 0.073 17729
27 1 . 1 1 12 12 SER CB C 2 63.659 63.659 63.763 -0.104 17729
28 1 . 1 1 12 12 SER H H 2 8.224 8.224 8.360 -0.136 17729
29 1 . 1 1 13 13 SER N N 3 117.557 117.557 117.772 -0.215 17729
30 1 . 1 1 13 13 SER HA H 3 4.304 4.304 4.369 -0.065 17729
31 1 . 1 1 13 13 SER CA C 3 58.541 58.541 58.764 -0.223 17729
32 1 . 1 1 13 13 SER CB C 3 63.661 63.661 63.588 0.073 17729
33 1 . 1 1 13 13 SER H H 3 8.228 8.228 7.929 0.299 17729
34 1 . 1 1 14 14 LYS N N 4 122.301 122.301 122.412 -0.111 17729
35 1 . 1 1 14 14 LYS HA H 4 4.181 4.181 4.260 -0.079 17729
36 1 . 1 1 14 14 LYS CA C 4 56.483 56.483 56.145 0.338 17729
37 1 . 1 1 14 14 LYS CB C 4 32.782 32.782 33.647 -0.865 17729
38 1 . 1 1 14 14 LYS H H 4 8.192 8.192 7.921 0.271 17729
39 1 . 1 1 15 15 GLY N N 5 109.122 109.122 108.388 0.734 17729
40 1 . 1 1 15 15 GLY CA C 5 45.543 45.543 45.318 0.225 17729
41 1 . 1 1 15 15 GLY H H 5 8.275 8.275 8.392 -0.117 17729
42 1 . 1 1 16 16 VAL N N 6 117.135 117.135 122.816 -5.681 17729
43 1 . 1 1 16 16 VAL HA H 6 4.415 4.415 4.202 0.213 17729
44 1 . 1 1 16 16 VAL CA C 6 60.773 60.773 59.691 1.082 17729
45 1 . 1 1 16 16 VAL CB C 6 33.830 33.830 33.778 0.053 17729
46 1 . 1 1 16 16 VAL H H 6 7.522 7.522 7.668 -0.146 17729
47 1 . 1 1 17 17 TYR N N 7 120.317 120.317 118.992 1.325 17729
48 1 . 1 1 17 17 TYR HA H 7 4.381 4.381 5.357 -0.976 17729
49 1 . 1 1 17 17 TYR CA C 7 56.492 56.492 55.589 0.903 17729
50 1 . 1 1 17 17 TYR CB C 7 39.131 39.131 40.778 -1.647 17729
51 1 . 1 1 17 17 TYR H H 7 7.929 7.929 8.293 -0.364 17729
52 1 . 1 1 18 18 TYR N N 8 117.105 117.105 120.517 -3.412 17729
53 1 . 1 1 18 18 TYR HA H 8 5.326 5.326 5.228 0.098 17729
54 1 . 1 1 18 18 TYR CA C 8 56.891 56.891 58.413 -1.522 17729
55 1 . 1 1 18 18 TYR CB C 8 41.298 41.298 40.589 0.709 17729
56 1 . 1 1 18 18 TYR H H 8 8.646 8.646 9.382 -0.736 17729
57 1 . 1 1 19 19 ARG N N 9 122.698 122.698 124.648 -1.950 17729
58 1 . 1 1 19 19 ARG HA H 9 5.549 5.549 5.384 0.165 17729
59 1 . 1 1 19 19 ARG CA C 9 54.797 54.797 54.173 0.624 17729
60 1 . 1 1 19 19 ARG CB C 9 35.578 35.578 34.320 1.258 17729
61 1 . 1 1 19 19 ARG H H 9 9.373 9.373 8.568 0.805 17729
62 1 . 1 1 20 20 ASN N N 10 122.244 122.244 122.094 0.150 17729
63 1 . 1 1 20 20 ASN HA H 10 4.952 4.952 4.715 0.237 17729
64 1 . 1 1 20 20 ASN CA C 10 49.964 49.964 51.430 -1.466 17729
65 1 . 1 1 20 20 ASN CB C 10 38.555 38.555 40.695 -2.140 17729
66 1 . 1 1 20 20 ASN H H 10 7.651 7.651 7.770 -0.119 17729
67 1 . 1 1 21 21 GLU N N 11 118.795 118.795 118.986 -0.191 17729
68 1 . 1 1 21 21 GLU HA H 11 3.922 3.922 3.960 -0.038 17729
69 1 . 1 1 21 21 GLU CA C 11 58.786 58.786 58.968 -0.182 17729
70 1 . 1 1 21 21 GLU CB C 11 28.995 28.995 28.652 0.343 17729
71 1 . 1 1 21 21 GLU H H 11 8.889 8.889 8.653 0.236 17729
72 1 . 1 1 22 22 GLU N N 12 116.576 116.576 118.795 -2.219 17729
73 1 . 1 1 22 22 GLU HA H 12 4.122 4.122 4.080 0.042 17729
74 1 . 1 1 22 22 GLU CA C 12 56.230 56.230 56.391 -0.161 17729
75 1 . 1 1 22 22 GLU CB C 12 29.389 29.389 29.883 -0.494 17729
76 1 . 1 1 22 22 GLU H H 12 7.280 7.280 8.288 -1.008 17729
77 1 . 1 1 23 23 GLY N N 13 106.901 106.901 107.253 -0.352 17729
78 1 . 1 1 23 23 GLY CA C 13 45.135 45.135 45.106 0.029 17729
79 1 . 1 1 23 23 GLY H H 13 7.732 7.732 7.720 0.012 17729
80 1 . 1 1 24 24 GLN N N 14 121.137 121.137 119.118 2.019 17729
81 1 . 1 1 24 24 GLN HA H 14 4.126 4.126 4.338 -0.212 17729
82 1 . 1 1 24 24 GLN CA C 14 56.109 56.109 55.676 0.433 17729
83 1 . 1 1 24 24 GLN CB C 14 28.095 28.095 28.977 -0.882 17729
84 1 . 1 1 24 24 GLN H H 14 7.737 7.737 7.784 -0.047 17729
85 1 . 1 1 25 25 THR N N 15 109.710 109.710 110.862 -1.152 17729
86 1 . 1 1 25 25 THR HA H 15 5.829 5.829 5.858 -0.029 17729
87 1 . 1 1 25 25 THR CA C 15 60.280 60.280 60.308 -0.028 17729
88 1 . 1 1 25 25 THR CB C 15 73.126 73.126 71.166 1.960 17729
89 1 . 1 1 25 25 THR H H 15 8.351 8.351 8.371 -0.020 17729
90 1 . 1 1 26 26 TRP N N 16 122.132 122.132 126.383 -4.251 17729
91 1 . 1 1 26 26 TRP HA H 16 5.275 5.275 5.197 0.078 17729
92 1 . 1 1 26 26 TRP CA C 16 56.638 56.638 56.158 0.480 17729
93 1 . 1 1 26 26 TRP CB C 16 32.266 32.266 32.068 0.198 17729
94 1 . 1 1 26 26 TRP H H 16 9.480 9.480 9.191 0.289 17729
95 1 . 1 1 27 27 SER N N 17 124.023 124.023 123.791 0.232 17729
96 1 . 1 1 27 27 SER HA H 17 4.231 4.231 4.511 -0.280 17729
97 1 . 1 1 27 27 SER CA C 17 59.522 59.522 60.310 -0.788 17729
98 1 . 1 1 27 27 SER CB C 17 64.161 64.161 63.663 0.498 17729
99 1 . 1 1 27 27 SER H H 17 8.802 8.802 9.024 -0.222 17729
100 1 . 1 1 28 28 GLY CA C 18 44.228 44.228 44.113 0.115 17729
101 1 . 1 1 29 29 VAL N N 19 117.282 117.282 118.237 -0.955 17729
102 1 . 1 1 29 29 VAL HA H 19 3.799 3.799 4.408 -0.609 17729
103 1 . 1 1 29 29 VAL CA C 19 60.724 60.724 60.620 0.104 17729
104 1 . 1 1 29 29 VAL CB C 19 34.256 34.256 33.487 0.769 17729
105 1 . 1 1 29 29 VAL H H 19 6.540 6.540 7.449 -0.909 17729
106 1 . 1 1 30 30 GLY N N 20 111.415 111.415 112.213 -0.798 17729
107 1 . 1 1 30 30 GLY CA C 20 44.618 44.618 45.467 -0.849 17729
108 1 . 1 1 30 30 GLY H H 20 8.348 8.348 8.616 -0.268 17729
109 1 . 1 1 31 31 ARG N N 21 118.607 118.607 121.514 -2.907 17729
110 1 . 1 1 31 31 ARG HA H 21 3.598 3.598 4.215 -0.617 17729
111 1 . 1 1 31 31 ARG CA C 21 57.420 57.420 56.271 1.149 17729
112 1 . 1 1 31 31 ARG H H 21 6.840 6.840 8.509 -1.669 17729
113 1 . 1 1 32 32 GLN N N 22 119.299 119.299 117.963 1.336 17729
114 1 . 1 1 32 32 GLN HA H 22 2.702 2.702 3.551 -0.849 17729
115 1 . 1 1 32 32 GLN CA C 22 52.780 52.780 52.623 0.157 17729
116 1 . 1 1 32 32 GLN CB C 22 27.170 27.170 29.409 -2.239 17729
117 1 . 1 1 32 32 GLN H H 22 6.214 6.214 8.148 -1.934 17729
118 1 . 1 1 33 33 PRO HA H 23 4.387 4.387 4.216 0.171 17729
119 1 . 1 1 33 33 PRO CA C 23 60.514 60.514 61.815 -1.301 17729
120 1 . 1 1 33 33 PRO CB C 23 32.182 32.182 32.087 0.095 17729
121 1 . 1 1 34 34 ARG N N 24 123.469 123.469 120.104 3.365 17729
122 1 . 1 1 34 34 ARG HA H 24 3.482 3.482 3.896 -0.414 17729
123 1 . 1 1 34 34 ARG CA C 24 59.864 59.864 59.135 0.729 17729
124 1 . 1 1 34 34 ARG CB C 24 29.478 29.478 29.588 -0.110 17729
125 1 . 1 1 34 34 ARG H H 24 9.154 9.154 8.627 0.527 17729
126 1 . 1 1 35 35 TRP N N 25 113.687 113.687 117.168 -3.481 17729
127 1 . 1 1 35 35 TRP HA H 25 4.094 4.094 4.534 -0.440 17729
128 1 . 1 1 35 35 TRP CA C 25 58.573 58.573 56.767 1.806 17729
129 1 . 1 1 35 35 TRP CB C 25 27.025 27.025 28.184 -1.159 17729
130 1 . 1 1 35 35 TRP H H 25 7.813 7.813 7.586 0.227 17729
131 1 . 1 1 36 36 LEU N N 26 125.176 125.176 123.417 1.759 17729
132 1 . 1 1 36 36 LEU HA H 26 3.284 3.284 3.841 -0.557 17729
133 1 . 1 1 36 36 LEU CA C 26 56.386 56.386 57.724 -1.338 17729
134 1 . 1 1 36 36 LEU CB C 26 40.308 40.308 40.854 -0.546 17729
135 1 . 1 1 36 36 LEU H H 26 5.622 5.622 7.117 -1.495 17729
136 1 . 1 1 37 37 LYS N N 27 119.347 119.347 118.218 1.129 17729
137 1 . 1 1 37 37 LYS HA H 27 3.466 3.466 3.902 -0.436 17729
138 1 . 1 1 37 37 LYS CA C 27 59.677 59.677 59.442 0.235 17729
139 1 . 1 1 37 37 LYS CB C 27 31.577 31.577 31.888 -0.311 17729
140 1 . 1 1 37 37 LYS H H 27 7.264 7.264 7.464 -0.200 17729
141 1 . 1 1 38 38 GLU N N 28 116.166 116.166 119.461 -3.295 17729
142 1 . 1 1 38 38 GLU HA H 28 3.738 3.738 4.044 -0.306 17729
143 1 . 1 1 38 38 GLU CA C 28 59.145 59.145 58.980 0.165 17729
144 1 . 1 1 38 38 GLU CB C 28 29.180 29.180 29.034 0.146 17729
145 1 . 1 1 38 38 GLU H H 28 8.355 8.355 7.806 0.549 17729
146 1 . 1 1 39 39 ALA N N 29 122.540 122.540 120.889 1.651 17729
147 1 . 1 1 39 39 ALA HA H 29 4.187 4.187 4.138 0.049 17729
148 1 . 1 1 39 39 ALA CA C 29 55.364 55.364 54.665 0.699 17729
149 1 . 1 1 39 39 ALA CB C 29 18.505 18.505 18.583 -0.078 17729
150 1 . 1 1 39 39 ALA H H 29 7.220 7.220 7.877 -0.657 17729
151 1 . 1 1 40 40 LEU N N 30 119.110 119.110 120.673 -1.563 17729
152 1 . 1 1 40 40 LEU HA H 30 4.217 4.217 4.583 -0.366 17729
153 1 . 1 1 40 40 LEU CA C 30 57.252 57.252 57.792 -0.540 17729
154 1 . 1 1 40 40 LEU CB C 30 40.193 40.193 42.589 -2.396 17729
155 1 . 1 1 40 40 LEU H H 30 8.143 8.143 7.802 0.341 17729
156 1 . 1 1 41 41 LEU N N 31 121.655 121.655 115.543 6.112 17729
157 1 . 1 1 41 41 LEU HA H 31 4.042 4.042 4.201 -0.159 17729
158 1 . 1 1 41 41 LEU CA C 31 57.247 57.247 56.929 0.318 17729
159 1 . 1 1 41 41 LEU CB C 31 41.660 41.660 41.104 0.556 17729
160 1 . 1 1 41 41 LEU H H 31 7.754 7.754 8.246 -0.492 17729
161 1 . 1 1 42 42 ASN N N 32 116.379 116.379 117.482 -1.103 17729
162 1 . 1 1 42 42 ASN HA H 32 4.746 4.746 4.625 0.121 17729
163 1 . 1 1 42 42 ASN CA C 32 53.052 53.052 53.960 -0.908 17729
164 1 . 1 1 42 42 ASN CB C 32 39.237 39.237 39.095 0.142 17729
165 1 . 1 1 42 42 ASN H H 32 7.475 7.475 7.804 -0.328 17729
166 1 . 1 1 43 43 GLY N N 33 106.130 106.130 107.472 -1.342 17729
167 1 . 1 1 43 43 GLY CA C 33 45.811 45.811 44.957 0.854 17729
168 1 . 1 1 43 43 GLY H H 33 7.674 7.674 7.836 -0.162 17729
169 1 . 1 1 44 44 MET N N 34 118.621 118.621 116.502 2.119 17729
170 1 . 1 1 44 44 MET HA H 34 4.527 4.527 4.985 -0.458 17729
171 1 . 1 1 44 44 MET CA C 34 55.077 55.077 54.276 0.801 17729
172 1 . 1 1 44 44 MET CB C 34 32.646 32.646 35.743 -3.097 17729
173 1 . 1 1 44 44 MET H H 34 7.731 7.731 7.444 0.287 17729
174 1 . 1 1 45 45 LYS N N 35 117.415 117.415 120.870 -3.455 17729
175 1 . 1 1 45 45 LYS HA H 35 4.673 4.673 4.537 0.136 17729
176 1 . 1 1 45 45 LYS CA C 35 54.117 54.117 55.963 -1.846 17729
177 1 . 1 1 45 45 LYS CB C 35 34.837 34.837 33.339 1.498 17729
178 1 . 1 1 45 45 LYS H H 35 8.594 8.594 8.614 -0.020 17729
179 1 . 1 1 46 46 LYS N N 36 122.938 122.938 121.287 1.651 17729
180 1 . 1 1 46 46 LYS HA H 36 3.816 3.816 3.164 0.652 17729
181 1 . 1 1 46 46 LYS CA C 36 61.319 61.319 58.726 2.593 17729
182 1 . 1 1 46 46 LYS CB C 36 32.233 32.233 31.459 0.774 17729
183 1 . 1 1 46 46 LYS H H 36 9.050 9.050 8.794 0.256 17729
184 1 . 1 1 47 47 GLU N N 37 114.163 114.163 118.961 -4.798 17729
185 1 . 1 1 47 47 GLU HA H 37 4.049 4.049 4.112 -0.063 17729
186 1 . 1 1 47 47 GLU CA C 37 59.738 59.738 59.064 0.674 17729
187 1 . 1 1 47 47 GLU CB C 37 28.530 28.530 28.604 -0.074 17729
188 1 . 1 1 47 47 GLU H H 37 9.129 9.129 8.633 0.496 17729
189 1 . 1 1 48 48 ASP N N 38 119.868 119.868 119.087 0.781 17729
190 1 . 1 1 48 48 ASP HA H 38 4.202 4.202 4.389 -0.187 17729
191 1 . 1 1 48 48 ASP CA C 38 56.900 56.900 57.018 -0.118 17729
192 1 . 1 1 48 48 ASP CB C 38 40.180 40.180 41.356 -1.176 17729
193 1 . 1 1 48 48 ASP H H 38 7.829 7.829 7.763 0.066 17729
194 1 . 1 1 49 49 PHE N N 39 116.115 116.115 112.886 3.229 17729
195 1 . 1 1 49 49 PHE HA H 39 4.745 4.745 4.947 -0.202 17729
196 1 . 1 1 49 49 PHE CA C 39 57.464 57.464 55.140 2.324 17729
197 1 . 1 1 49 49 PHE CB C 39 40.396 40.396 38.087 2.309 17729
198 1 . 1 1 49 49 PHE H H 39 7.909 7.909 7.017 0.892 17729
199 1 . 1 1 50 50 LEU N N 40 122.224 122.224 124.013 -1.789 17729
200 1 . 1 1 50 50 LEU HA H 40 3.896 3.896 4.314 -0.418 17729
201 1 . 1 1 50 50 LEU CA C 40 56.197 56.197 54.395 1.802 17729
202 1 . 1 1 50 50 LEU CB C 40 43.590 43.590 42.365 1.225 17729
203 1 . 1 1 50 50 LEU H H 40 6.974 6.974 7.435 -0.461 17729
204 1 . 1 1 51 51 VAL N N 41 127.077 127.077 125.343 1.734 17729
205 1 . 1 1 51 51 VAL HA H 41 3.862 3.862 4.369 -0.507 17729
206 1 . 1 1 51 51 VAL CA C 41 61.739 61.739 60.245 1.494 17729
207 1 . 1 1 51 51 VAL CB C 41 33.333 33.333 34.597 -1.264 17729
208 1 . 1 1 51 51 VAL H H 41 8.648 8.648 8.531 0.117 17729
209 1 . 1 1 52 52 LYS N N 42 123.896 123.896 124.039 -0.143 17729
210 1 . 1 1 52 52 LYS HA H 42 4.387 4.387 4.403 -0.016 17729
211 1 . 1 1 52 52 LYS CA C 42 55.341 55.341 54.353 0.988 17729
212 1 . 1 1 52 52 LYS CB C 42 33.813 33.813 34.414 -0.601 17729
213 1 . 1 1 52 52 LYS H H 42 8.077 8.077 8.170 -0.093 17729
214 1 . 1 1 53 53 ASP N N 43 122.944 122.944 119.053 3.891 17729
215 1 . 1 1 53 53 ASP HA H 43 4.534 4.534 4.427 0.107 17729
216 1 . 1 1 53 53 ASP CA C 43 54.327 54.327 56.487 -2.160 17729
217 1 . 1 1 53 53 ASP CB C 43 41.138 41.138 41.192 -0.054 17729
218 1 . 1 1 53 53 ASP H H 43 8.332 8.332 8.292 0.040 17729
219 1 . 1 1 54 54 THR N N 44 113.734 113.734 112.860 0.874 17729
220 1 . 1 1 54 54 THR HA H 44 4.184 4.184 4.406 -0.222 17729
221 1 . 1 1 54 54 THR CA C 44 61.564 61.564 61.608 -0.044 17729
222 1 . 1 1 54 54 THR CB C 44 69.719 69.719 70.137 -0.418 17729
223 1 . 1 1 54 54 THR H H 44 7.950 7.950 7.597 0.353 17729
224 1 . 1 1 55 55 GLU N N 45 122.650 122.650 120.825 1.825 17729
225 1 . 1 1 55 55 GLU HA H 45 4.163 4.163 3.934 0.229 17729
226 1 . 1 1 55 55 GLU CA C 45 56.427 56.427 57.252 -0.825 17729
227 1 . 1 1 55 55 GLU CB C 45 30.177 30.177 28.229 1.948 17729
228 1 . 1 1 55 55 GLU H H 45 8.289 8.289 8.763 -0.474 17729
229 1 . 1 1 56 56 GLU N N 46 121.892 121.892 118.802 3.090 17729
230 1 . 1 1 56 56 GLU HA H 46 4.145 4.145 4.406 -0.261 17729
231 1 . 1 1 56 56 GLU CA C 46 56.355 56.355 55.858 0.497 17729
232 1 . 1 1 56 56 GLU CB C 46 30.442 30.442 30.561 -0.119 17729
233 1 . 1 1 56 56 GLU H H 46 8.192 8.192 8.204 -0.012 17729
stop_
save_