data_18340
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18340
_Entry.PDB_ID 2LR1
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 18340
_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 2 2 GLU HA H 131 4.084 4.084 4.081 0.003 18340
2 1 1 . 1 1 2 2 GLU H H 131 8.553 8.553 8.416 0.137 18340
3 1 1 . 1 1 3 3 ALA N N 132 123.300 123.300 121.719 1.581 18340
4 1 1 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.958 0.202 18340
5 1 1 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.132 -1.442 18340
6 1 1 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.525 -0.025 18340
7 1 1 . 1 1 3 3 ALA H H 132 8.601 8.601 7.451 1.150 18340
8 1 1 . 1 1 4 4 LEU N N 133 120.400 120.400 119.212 1.188 18340
9 1 1 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.595 0.618 18340
10 1 1 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.670 -1.720 18340
11 1 1 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.375 1.645 18340
12 1 1 . 1 1 4 4 LEU H H 133 7.984 7.984 7.441 0.543 18340
13 1 1 . 1 1 5 5 LYS N N 134 120.700 120.700 119.035 1.665 18340
14 1 1 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.950 0.190 18340
15 1 1 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.652 -1.862 18340
16 1 1 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.289 0.401 18340
17 1 1 . 1 1 5 5 LYS H H 134 7.988 7.988 7.422 0.566 18340
18 1 1 . 1 1 6 6 LYS N N 135 120.900 120.900 122.532 -1.632 18340
19 1 1 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340
20 1 1 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.151 -2.513 18340
21 1 1 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.956 0.904 18340
22 1 1 . 1 1 6 6 LYS H H 135 8.405 8.405 7.770 0.635 18340
23 1 1 . 1 1 7 7 ALA N N 136 123.900 123.900 124.213 -0.313 18340
24 1 1 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.124 2.060 18340
25 1 1 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.967 -1.757 18340
26 1 1 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.439 0.331 18340
27 1 1 . 1 1 7 7 ALA H H 136 8.085 8.085 7.645 0.440 18340
28 1 1 . 1 1 8 8 LEU N N 137 120.600 120.600 119.308 1.292 18340
29 1 1 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.802 0.442 18340
30 1 1 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.506 -2.559 18340
31 1 1 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.176 1.062 18340
32 1 1 . 1 1 8 8 LEU H H 137 8.191 8.191 7.587 0.604 18340
33 1 1 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.112 0.054 18340
34 1 1 . 1 1 9 9 ARG H H 138 8.099 8.099 7.577 0.522 18340
35 1 1 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.399 -0.196 18340
36 1 1 . 1 1 10 10 ARG H H 139 8.163 8.163 8.020 0.143 18340
37 1 1 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.538 -0.035 18340
38 1 1 . 1 1 11 11 HIS H H 140 8.447 8.447 7.592 0.855 18340
39 1 1 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.080 0.087 18340
40 1 1 . 1 1 12 12 ARG H H 141 8.320 8.320 8.094 0.226 18340
41 1 1 . 1 1 13 13 PHE N N 142 120.300 120.300 118.725 1.575 18340
42 1 1 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.369 0.148 18340
43 1 1 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.847 -3.716 18340
44 1 1 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.233 0.117 18340
45 1 1 . 1 1 13 13 PHE H H 142 8.301 8.301 8.118 0.183 18340
46 1 1 . 1 1 14 14 LEU N N 143 122.800 122.800 121.106 1.694 18340
47 1 1 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.187 0.055 18340
48 1 1 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.866 -1.773 18340
49 1 1 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.697 -0.673 18340
50 1 1 . 1 1 14 14 LEU H H 143 8.270 8.270 7.883 0.387 18340
51 1 1 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.531 -0.092 18340
52 1 1 . 1 1 15 15 TRP H H 144 8.043 8.043 8.925 -0.882 18340
53 1 1 . 1 1 16 16 GLN N N 145 120.900 120.900 117.013 3.887 18340
54 1 1 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.222 -0.132 18340
55 1 1 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.852 -1.361 18340
56 1 1 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.934 0.326 18340
57 1 1 . 1 1 16 16 GLN H H 145 8.037 8.037 8.397 -0.360 18340
58 1 1 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.482 -0.402 18340
59 1 1 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340
60 1 1 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.561 -0.481 18340
61 1 1 . 1 1 18 18 ARG H H 147 8.069 8.069 7.725 0.344 18340
62 1 1 . 1 1 19 19 GLN N N 148 121.600 121.600 119.919 1.681 18340
63 1 1 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.215 -0.140 18340
64 1 1 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.761 -2.800 18340
65 1 1 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.247 2.063 18340
66 1 1 . 1 1 19 19 GLN H H 148 8.370 8.370 8.570 -0.200 18340
67 1 1 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.780 0.281 18340
68 1 1 . 1 1 20 20 ARG H H 149 8.195 8.195 8.126 0.069 18340
69 1 1 . 1 1 21 21 ALA N N 150 126.000 126.000 119.292 6.708 18340
70 1 1 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.718 0.538 18340
71 1 1 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.750 -1.440 18340
72 1 1 . 1 1 21 21 ALA H H 150 8.380 8.380 8.349 0.031 18340
73 1 2 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.060 0.024 18340
74 1 2 . 1 1 2 2 GLU H H 131 8.553 8.553 8.297 0.256 18340
75 1 2 . 1 1 3 3 ALA N N 132 123.300 123.300 121.685 1.615 18340
76 1 2 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.036 0.124 18340
77 1 2 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.679 -0.989 18340
78 1 2 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.995 -0.495 18340
79 1 2 . 1 1 3 3 ALA H H 132 8.601 8.601 7.340 1.261 18340
80 1 2 . 1 1 4 4 LEU N N 133 120.400 120.400 120.199 0.201 18340
81 1 2 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.466 0.747 18340
82 1 2 . 1 1 4 4 LEU CA C 133 55.950 55.950 59.126 -3.176 18340
83 1 2 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.402 0.618 18340
84 1 2 . 1 1 4 4 LEU H H 133 7.984 7.984 7.466 0.518 18340
85 1 2 . 1 1 5 5 LYS N N 134 120.700 120.700 117.870 2.830 18340
86 1 2 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.929 0.211 18340
87 1 2 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.357 -1.567 18340
88 1 2 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.506 0.184 18340
89 1 2 . 1 1 5 5 LYS H H 134 7.988 7.988 7.492 0.496 18340
90 1 2 . 1 1 6 6 LYS N N 135 120.900 120.900 119.756 1.144 18340
91 1 2 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.895 0.227 18340
92 1 2 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.895 -2.257 18340
93 1 2 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.215 0.645 18340
94 1 2 . 1 1 6 6 LYS H H 135 8.405 8.405 7.742 0.663 18340
95 1 2 . 1 1 7 7 ALA N N 136 123.900 123.900 124.765 -0.865 18340
96 1 2 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.897 2.287 18340
97 1 2 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.483 -1.273 18340
98 1 2 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.393 0.377 18340
99 1 2 . 1 1 7 7 ALA H H 136 8.085 8.085 7.502 0.583 18340
100 1 2 . 1 1 8 8 LEU N N 137 120.600 120.600 118.970 1.630 18340
101 1 2 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.713 0.531 18340
102 1 2 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.603 -2.656 18340
103 1 2 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.089 1.149 18340
104 1 2 . 1 1 8 8 LEU H H 137 8.191 8.191 7.490 0.701 18340
105 1 2 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.073 0.093 18340
106 1 2 . 1 1 9 9 ARG H H 138 8.099 8.099 7.474 0.625 18340
107 1 2 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340
108 1 2 . 1 1 10 10 ARG H H 139 8.163 8.163 7.947 0.216 18340
109 1 2 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.499 0.004 18340
110 1 2 . 1 1 11 11 HIS H H 140 8.447 8.447 7.570 0.877 18340
111 1 2 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.019 0.148 18340
112 1 2 . 1 1 12 12 ARG H H 141 8.320 8.320 7.877 0.443 18340
113 1 2 . 1 1 13 13 PHE N N 142 120.300 120.300 118.801 1.499 18340
114 1 2 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.372 0.145 18340
115 1 2 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.612 -3.482 18340
116 1 2 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.238 0.112 18340
117 1 2 . 1 1 13 13 PHE H H 142 8.301 8.301 8.104 0.197 18340
118 1 2 . 1 1 14 14 LEU N N 143 122.800 122.800 121.095 1.705 18340
119 1 2 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.183 0.059 18340
120 1 2 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.851 -1.758 18340
121 1 2 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.691 -0.667 18340
122 1 2 . 1 1 14 14 LEU H H 143 8.270 8.270 7.867 0.403 18340
123 1 2 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.498 -0.059 18340
124 1 2 . 1 1 15 15 TRP H H 144 8.043 8.043 8.912 -0.869 18340
125 1 2 . 1 1 16 16 GLN N N 145 120.900 120.900 117.008 3.892 18340
126 1 2 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.226 -0.136 18340
127 1 2 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.849 -1.358 18340
128 1 2 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.933 0.327 18340
129 1 2 . 1 1 16 16 GLN H H 145 8.037 8.037 8.393 -0.356 18340
130 1 2 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.460 -0.380 18340
131 1 2 . 1 1 17 17 ARG H H 146 8.069 8.069 7.783 0.286 18340
132 1 2 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.473 -0.393 18340
133 1 2 . 1 1 18 18 ARG H H 147 8.069 8.069 7.711 0.358 18340
134 1 2 . 1 1 19 19 GLN N N 148 121.600 121.600 119.360 2.240 18340
135 1 2 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.149 -0.074 18340
136 1 2 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.664 -2.703 18340
137 1 2 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.138 2.172 18340
138 1 2 . 1 1 19 19 GLN H H 148 8.370 8.370 8.533 -0.163 18340
139 1 2 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.929 0.132 18340
140 1 2 . 1 1 20 20 ARG H H 149 8.195 8.195 8.067 0.128 18340
141 1 2 . 1 1 21 21 ALA N N 150 126.000 126.000 119.629 6.371 18340
142 1 2 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.772 0.484 18340
143 1 2 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.883 -1.573 18340
144 1 2 . 1 1 21 21 ALA H H 150 8.380 8.380 8.361 0.019 18340
145 1 3 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.068 0.016 18340
146 1 3 . 1 1 2 2 GLU H H 131 8.553 8.553 8.310 0.243 18340
147 1 3 . 1 1 3 3 ALA N N 132 123.300 123.300 121.575 1.725 18340
148 1 3 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.994 0.166 18340
149 1 3 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.920 -1.230 18340
150 1 3 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.929 -0.429 18340
151 1 3 . 1 1 3 3 ALA H H 132 8.601 8.601 7.401 1.200 18340
152 1 3 . 1 1 4 4 LEU N N 133 120.400 120.400 118.960 1.440 18340
153 1 3 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.628 0.585 18340
154 1 3 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.623 -1.673 18340
155 1 3 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.334 1.686 18340
156 1 3 . 1 1 4 4 LEU H H 133 7.984 7.984 7.455 0.529 18340
157 1 3 . 1 1 5 5 LYS N N 134 120.700 120.700 119.680 1.020 18340
158 1 3 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.885 0.255 18340
159 1 3 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.663 -1.873 18340
160 1 3 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.329 0.361 18340
161 1 3 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340
162 1 3 . 1 1 6 6 LYS N N 135 120.900 120.900 122.185 -1.285 18340
163 1 3 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340
164 1 3 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.252 -2.614 18340
165 1 3 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.920 0.940 18340
166 1 3 . 1 1 6 6 LYS H H 135 8.405 8.405 7.739 0.666 18340
167 1 3 . 1 1 7 7 ALA N N 136 123.900 123.900 124.019 -0.119 18340
168 1 3 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.114 2.070 18340
169 1 3 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.839 -1.629 18340
170 1 3 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.465 0.305 18340
171 1 3 . 1 1 7 7 ALA H H 136 8.085 8.085 7.668 0.417 18340
172 1 3 . 1 1 8 8 LEU N N 137 120.600 120.600 121.335 -0.735 18340
173 1 3 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.825 0.419 18340
174 1 3 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.300 -2.353 18340
175 1 3 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.689 0.549 18340
176 1 3 . 1 1 8 8 LEU H H 137 8.191 8.191 7.520 0.671 18340
177 1 3 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.076 0.090 18340
178 1 3 . 1 1 9 9 ARG H H 138 8.099 8.099 7.499 0.600 18340
179 1 3 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.390 -0.187 18340
180 1 3 . 1 1 10 10 ARG H H 139 8.163 8.163 8.004 0.159 18340
181 1 3 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.550 -0.047 18340
182 1 3 . 1 1 11 11 HIS H H 140 8.447 8.447 7.633 0.814 18340
183 1 3 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340
184 1 3 . 1 1 12 12 ARG H H 141 8.320 8.320 7.916 0.404 18340
185 1 3 . 1 1 13 13 PHE N N 142 120.300 120.300 118.806 1.494 18340
186 1 3 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340
187 1 3 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.626 -3.495 18340
188 1 3 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340
189 1 3 . 1 1 13 13 PHE H H 142 8.301 8.301 8.125 0.176 18340
190 1 3 . 1 1 14 14 LEU N N 143 122.800 122.800 120.952 1.848 18340
191 1 3 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340
192 1 3 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.911 -1.818 18340
193 1 3 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340
194 1 3 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340
195 1 3 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340
196 1 3 . 1 1 15 15 TRP H H 144 8.043 8.043 8.918 -0.875 18340
197 1 3 . 1 1 16 16 GLN N N 145 120.900 120.900 117.026 3.874 18340
198 1 3 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.236 -0.146 18340
199 1 3 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.861 -1.370 18340
200 1 3 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.935 0.325 18340
201 1 3 . 1 1 16 16 GLN H H 145 8.037 8.037 8.404 -0.367 18340
202 1 3 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.479 -0.399 18340
203 1 3 . 1 1 17 17 ARG H H 146 8.069 8.069 7.790 0.279 18340
204 1 3 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.467 -0.387 18340
205 1 3 . 1 1 18 18 ARG H H 147 8.069 8.069 7.742 0.327 18340
206 1 3 . 1 1 19 19 GLN N N 148 121.600 121.600 119.063 2.537 18340
207 1 3 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.176 -0.101 18340
208 1 3 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.795 -2.834 18340
209 1 3 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.125 2.186 18340
210 1 3 . 1 1 19 19 GLN H H 148 8.370 8.370 8.565 -0.195 18340
211 1 3 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.962 0.099 18340
212 1 3 . 1 1 20 20 ARG H H 149 8.195 8.195 8.112 0.083 18340
213 1 3 . 1 1 21 21 ALA N N 150 126.000 126.000 119.679 6.321 18340
214 1 3 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.788 0.468 18340
215 1 3 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.900 -1.590 18340
216 1 3 . 1 1 21 21 ALA H H 150 8.380 8.380 8.386 -0.006 18340
217 1 4 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.080 0.004 18340
218 1 4 . 1 1 2 2 GLU H H 131 8.553 8.553 8.408 0.145 18340
219 1 4 . 1 1 3 3 ALA N N 132 123.300 123.300 121.750 1.550 18340
220 1 4 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.969 0.191 18340
221 1 4 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.158 -1.468 18340
222 1 4 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.492 0.008 18340
223 1 4 . 1 1 3 3 ALA H H 132 8.601 8.601 7.477 1.124 18340
224 1 4 . 1 1 4 4 LEU N N 133 120.400 120.400 119.235 1.165 18340
225 1 4 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.600 0.613 18340
226 1 4 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.666 -1.716 18340
227 1 4 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.386 1.634 18340
228 1 4 . 1 1 4 4 LEU H H 133 7.984 7.984 7.431 0.553 18340
229 1 4 . 1 1 5 5 LYS N N 134 120.700 120.700 118.973 1.727 18340
230 1 4 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.989 0.151 18340
231 1 4 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.580 -1.790 18340
232 1 4 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.291 0.399 18340
233 1 4 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340
234 1 4 . 1 1 6 6 LYS N N 135 120.900 120.900 122.698 -1.798 18340
235 1 4 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.886 0.236 18340
236 1 4 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.809 -3.171 18340
237 1 4 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.010 0.850 18340
238 1 4 . 1 1 6 6 LYS H H 135 8.405 8.405 7.816 0.589 18340
239 1 4 . 1 1 7 7 ALA N N 136 123.900 123.900 123.862 0.038 18340
240 1 4 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.061 2.123 18340
241 1 4 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.068 -1.858 18340
242 1 4 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.454 0.316 18340
243 1 4 . 1 1 7 7 ALA H H 136 8.085 8.085 7.606 0.479 18340
244 1 4 . 1 1 8 8 LEU N N 137 120.600 120.600 119.302 1.298 18340
245 1 4 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.808 0.436 18340
246 1 4 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.563 -2.616 18340
247 1 4 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.135 1.103 18340
248 1 4 . 1 1 8 8 LEU H H 137 8.191 8.191 7.605 0.586 18340
249 1 4 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.110 0.056 18340
250 1 4 . 1 1 9 9 ARG H H 138 8.099 8.099 7.600 0.499 18340
251 1 4 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.392 -0.189 18340
252 1 4 . 1 1 10 10 ARG H H 139 8.163 8.163 8.021 0.142 18340
253 1 4 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.557 -0.054 18340
254 1 4 . 1 1 11 11 HIS H H 140 8.447 8.447 7.643 0.804 18340
255 1 4 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.025 0.142 18340
256 1 4 . 1 1 12 12 ARG H H 141 8.320 8.320 8.046 0.274 18340
257 1 4 . 1 1 13 13 PHE N N 142 120.300 120.300 118.820 1.480 18340
258 1 4 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.378 0.139 18340
259 1 4 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.621 -3.490 18340
260 1 4 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.246 0.103 18340
261 1 4 . 1 1 13 13 PHE H H 142 8.301 8.301 8.126 0.175 18340
262 1 4 . 1 1 14 14 LEU N N 143 122.800 122.800 121.090 1.710 18340
263 1 4 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340
264 1 4 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.872 -1.779 18340
265 1 4 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.708 -0.684 18340
266 1 4 . 1 1 14 14 LEU H H 143 8.270 8.270 7.878 0.392 18340
267 1 4 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.498 -0.059 18340
268 1 4 . 1 1 15 15 TRP H H 144 8.043 8.043 8.915 -0.872 18340
269 1 4 . 1 1 16 16 GLN N N 145 120.900 120.900 117.017 3.883 18340
270 1 4 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.221 -0.131 18340
271 1 4 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.844 -1.353 18340
272 1 4 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.939 0.321 18340
273 1 4 . 1 1 16 16 GLN H H 145 8.037 8.037 8.394 -0.357 18340
274 1 4 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.468 -0.388 18340
275 1 4 . 1 1 17 17 ARG H H 146 8.069 8.069 7.765 0.304 18340
276 1 4 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.442 -0.362 18340
277 1 4 . 1 1 18 18 ARG H H 147 8.069 8.069 7.703 0.366 18340
278 1 4 . 1 1 19 19 GLN N N 148 121.600 121.600 119.025 2.575 18340
279 1 4 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.159 -0.084 18340
280 1 4 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.758 -2.797 18340
281 1 4 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.101 2.209 18340
282 1 4 . 1 1 19 19 GLN H H 148 8.370 8.370 8.522 -0.152 18340
283 1 4 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.913 0.148 18340
284 1 4 . 1 1 20 20 ARG H H 149 8.195 8.195 7.988 0.207 18340
285 1 4 . 1 1 21 21 ALA N N 150 126.000 126.000 119.633 6.367 18340
286 1 4 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.761 0.495 18340
287 1 4 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.875 -1.565 18340
288 1 4 . 1 1 21 21 ALA H H 150 8.380 8.380 8.354 0.026 18340
289 1 5 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.064 0.020 18340
290 1 5 . 1 1 2 2 GLU H H 131 8.553 8.553 8.369 0.184 18340
291 1 5 . 1 1 3 3 ALA N N 132 123.300 123.300 121.177 2.123 18340
292 1 5 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.970 0.190 18340
293 1 5 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.127 -1.437 18340
294 1 5 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.447 0.053 18340
295 1 5 . 1 1 3 3 ALA H H 132 8.601 8.601 7.428 1.173 18340
296 1 5 . 1 1 4 4 LEU N N 133 120.400 120.400 119.245 1.155 18340
297 1 5 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.592 0.621 18340
298 1 5 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.655 -1.705 18340
299 1 5 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.378 1.642 18340
300 1 5 . 1 1 4 4 LEU H H 133 7.984 7.984 7.454 0.530 18340
301 1 5 . 1 1 5 5 LYS N N 134 120.700 120.700 119.015 1.685 18340
302 1 5 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.922 0.218 18340
303 1 5 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.822 -2.032 18340
304 1 5 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.260 0.430 18340
305 1 5 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340
306 1 5 . 1 1 6 6 LYS N N 135 120.900 120.900 122.689 -1.789 18340
307 1 5 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.869 0.253 18340
308 1 5 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.767 -3.129 18340
309 1 5 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.992 0.868 18340
310 1 5 . 1 1 6 6 LYS H H 135 8.405 8.405 7.782 0.623 18340
311 1 5 . 1 1 7 7 ALA N N 136 123.900 123.900 123.724 0.176 18340
312 1 5 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.078 2.106 18340
313 1 5 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.022 -1.812 18340
314 1 5 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.480 0.290 18340
315 1 5 . 1 1 7 7 ALA H H 136 8.085 8.085 7.623 0.462 18340
316 1 5 . 1 1 8 8 LEU N N 137 120.600 120.600 121.228 -0.628 18340
317 1 5 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.744 0.500 18340
318 1 5 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.258 -2.311 18340
319 1 5 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.648 0.590 18340
320 1 5 . 1 1 8 8 LEU H H 137 8.191 8.191 7.498 0.693 18340
321 1 5 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.053 0.113 18340
322 1 5 . 1 1 9 9 ARG H H 138 8.099 8.099 7.471 0.628 18340
323 1 5 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.324 -0.121 18340
324 1 5 . 1 1 10 10 ARG H H 139 8.163 8.163 7.964 0.199 18340
325 1 5 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.438 0.065 18340
326 1 5 . 1 1 11 11 HIS H H 140 8.447 8.447 7.558 0.889 18340
327 1 5 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.027 0.141 18340
328 1 5 . 1 1 12 12 ARG H H 141 8.320 8.320 7.877 0.443 18340
329 1 5 . 1 1 13 13 PHE N N 142 120.300 120.300 118.911 1.389 18340
330 1 5 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.400 0.117 18340
331 1 5 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.639 -3.508 18340
332 1 5 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340
333 1 5 . 1 1 13 13 PHE H H 142 8.301 8.301 8.135 0.166 18340
334 1 5 . 1 1 14 14 LEU N N 143 122.800 122.800 119.899 2.901 18340
335 1 5 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.176 0.066 18340
336 1 5 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.009 -1.916 18340
337 1 5 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.421 -0.397 18340
338 1 5 . 1 1 14 14 LEU H H 143 8.270 8.270 8.012 0.258 18340
339 1 5 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.606 -0.167 18340
340 1 5 . 1 1 15 15 TRP H H 144 8.043 8.043 8.953 -0.910 18340
341 1 5 . 1 1 16 16 GLN N N 145 120.900 120.900 117.071 3.829 18340
342 1 5 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.255 -0.165 18340
343 1 5 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.887 -1.396 18340
344 1 5 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.948 0.312 18340
345 1 5 . 1 1 16 16 GLN H H 145 8.037 8.037 8.436 -0.399 18340
346 1 5 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.502 -0.422 18340
347 1 5 . 1 1 17 17 ARG H H 146 8.069 8.069 7.839 0.230 18340
348 1 5 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.634 -0.554 18340
349 1 5 . 1 1 18 18 ARG H H 147 8.069 8.069 7.858 0.211 18340
350 1 5 . 1 1 19 19 GLN N N 148 121.600 121.600 119.231 2.369 18340
351 1 5 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.269 -0.194 18340
352 1 5 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.861 -2.900 18340
353 1 5 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.144 2.166 18340
354 1 5 . 1 1 19 19 GLN H H 148 8.370 8.370 8.754 -0.384 18340
355 1 5 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.950 0.111 18340
356 1 5 . 1 1 20 20 ARG H H 149 8.195 8.195 8.152 0.043 18340
357 1 5 . 1 1 21 21 ALA N N 150 126.000 126.000 119.581 6.419 18340
358 1 5 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.660 0.596 18340
359 1 5 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.843 -1.533 18340
360 1 5 . 1 1 21 21 ALA H H 150 8.380 8.380 8.349 0.031 18340
361 1 6 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.067 0.017 18340
362 1 6 . 1 1 2 2 GLU H H 131 8.553 8.553 8.366 0.187 18340
363 1 6 . 1 1 3 3 ALA N N 132 123.300 123.300 120.996 2.304 18340
364 1 6 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.971 0.189 18340
365 1 6 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.188 -1.498 18340
366 1 6 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.449 0.051 18340
367 1 6 . 1 1 3 3 ALA H H 132 8.601 8.601 7.421 1.180 18340
368 1 6 . 1 1 4 4 LEU N N 133 120.400 120.400 119.267 1.133 18340
369 1 6 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.601 0.612 18340
370 1 6 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.655 -1.705 18340
371 1 6 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.393 1.627 18340
372 1 6 . 1 1 4 4 LEU H H 133 7.984 7.984 7.473 0.511 18340
373 1 6 . 1 1 5 5 LYS N N 134 120.700 120.700 118.685 2.015 18340
374 1 6 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.880 0.260 18340
375 1 6 . 1 1 5 5 LYS CA C 134 57.790 57.790 60.066 -2.276 18340
376 1 6 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.343 0.347 18340
377 1 6 . 1 1 5 5 LYS H H 134 7.988 7.988 7.427 0.561 18340
378 1 6 . 1 1 6 6 LYS N N 135 120.900 120.900 122.695 -1.795 18340
379 1 6 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.896 0.226 18340
380 1 6 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.791 -3.153 18340
381 1 6 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.020 0.840 18340
382 1 6 . 1 1 6 6 LYS H H 135 8.405 8.405 7.783 0.622 18340
383 1 6 . 1 1 7 7 ALA N N 136 123.900 123.900 123.837 0.063 18340
384 1 6 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.022 2.162 18340
385 1 6 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.130 -1.920 18340
386 1 6 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.451 0.319 18340
387 1 6 . 1 1 7 7 ALA H H 136 8.085 8.085 7.647 0.438 18340
388 1 6 . 1 1 8 8 LEU N N 137 120.600 120.600 118.776 1.824 18340
389 1 6 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.884 0.360 18340
390 1 6 . 1 1 8 8 LEU CA C 137 55.947 55.947 57.379 -1.432 18340
391 1 6 . 1 1 8 8 LEU CB C 137 42.238 42.238 40.227 2.011 18340
392 1 6 . 1 1 8 8 LEU H H 137 8.191 8.191 7.587 0.604 18340
393 1 6 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.089 0.077 18340
394 1 6 . 1 1 9 9 ARG H H 138 8.099 8.099 7.580 0.519 18340
395 1 6 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.356 -0.153 18340
396 1 6 . 1 1 10 10 ARG H H 139 8.163 8.163 8.064 0.099 18340
397 1 6 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.553 -0.050 18340
398 1 6 . 1 1 11 11 HIS H H 140 8.447 8.447 7.658 0.789 18340
399 1 6 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.001 0.166 18340
400 1 6 . 1 1 12 12 ARG H H 141 8.320 8.320 7.874 0.446 18340
401 1 6 . 1 1 13 13 PHE N N 142 120.300 120.300 118.792 1.508 18340
402 1 6 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.387 0.130 18340
403 1 6 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.619 -3.488 18340
404 1 6 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.227 0.122 18340
405 1 6 . 1 1 13 13 PHE H H 142 8.301 8.301 8.125 0.176 18340
406 1 6 . 1 1 14 14 LEU N N 143 122.800 122.800 120.952 1.848 18340
407 1 6 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340
408 1 6 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.924 -1.831 18340
409 1 6 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.670 -0.647 18340
410 1 6 . 1 1 14 14 LEU H H 143 8.270 8.270 7.889 0.381 18340
411 1 6 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340
412 1 6 . 1 1 15 15 TRP H H 144 8.043 8.043 8.920 -0.877 18340
413 1 6 . 1 1 16 16 GLN N N 145 120.900 120.900 116.085 4.815 18340
414 1 6 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.173 -0.083 18340
415 1 6 . 1 1 16 16 GLN CA C 145 56.491 56.491 58.089 -1.598 18340
416 1 6 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.873 0.387 18340
417 1 6 . 1 1 16 16 GLN H H 145 8.037 8.037 8.335 -0.298 18340
418 1 6 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.464 -0.384 18340
419 1 6 . 1 1 17 17 ARG H H 146 8.069 8.069 7.759 0.310 18340
420 1 6 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.480 -0.400 18340
421 1 6 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340
422 1 6 . 1 1 19 19 GLN N N 148 121.600 121.600 119.522 2.078 18340
423 1 6 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.151 -0.076 18340
424 1 6 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.768 -2.807 18340
425 1 6 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.245 2.065 18340
426 1 6 . 1 1 19 19 GLN H H 148 8.370 8.370 8.552 -0.182 18340
427 1 6 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.855 0.206 18340
428 1 6 . 1 1 20 20 ARG H H 149 8.195 8.195 8.170 0.025 18340
429 1 6 . 1 1 21 21 ALA N N 150 126.000 126.000 119.380 6.620 18340
430 1 6 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.846 0.410 18340
431 1 6 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.804 -1.494 18340
432 1 6 . 1 1 21 21 ALA H H 150 8.380 8.380 8.389 -0.009 18340
433 1 7 . 1 1 2 2 GLU HA H 131 4.084 4.084 3.992 0.092 18340
434 1 7 . 1 1 2 2 GLU H H 131 8.553 8.553 8.459 0.094 18340
435 1 7 . 1 1 3 3 ALA N N 132 123.300 123.300 120.363 2.937 18340
436 1 7 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.976 0.184 18340
437 1 7 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.290 -1.600 18340
438 1 7 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.258 0.242 18340
439 1 7 . 1 1 3 3 ALA H H 132 8.601 8.601 7.787 0.814 18340
440 1 7 . 1 1 4 4 LEU N N 133 120.400 120.400 118.519 1.881 18340
441 1 7 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.593 0.620 18340
442 1 7 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.566 -1.615 18340
443 1 7 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.506 1.514 18340
444 1 7 . 1 1 4 4 LEU H H 133 7.984 7.984 7.648 0.336 18340
445 1 7 . 1 1 5 5 LYS N N 134 120.700 120.700 118.898 1.802 18340
446 1 7 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.922 0.218 18340
447 1 7 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.513 -1.723 18340
448 1 7 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.270 0.420 18340
449 1 7 . 1 1 5 5 LYS H H 134 7.988 7.988 7.724 0.264 18340
450 1 7 . 1 1 6 6 LYS N N 135 120.900 120.900 119.847 1.053 18340
451 1 7 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.906 0.216 18340
452 1 7 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.395 -1.757 18340
453 1 7 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.806 1.054 18340
454 1 7 . 1 1 6 6 LYS H H 135 8.405 8.405 7.934 0.471 18340
455 1 7 . 1 1 7 7 ALA N N 136 123.900 123.900 124.284 -0.384 18340
456 1 7 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.885 2.299 18340
457 1 7 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.768 -1.558 18340
458 1 7 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.320 0.450 18340
459 1 7 . 1 1 7 7 ALA H H 136 8.085 8.085 7.532 0.553 18340
460 1 7 . 1 1 8 8 LEU N N 137 120.600 120.600 119.166 1.434 18340
461 1 7 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.703 0.541 18340
462 1 7 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.604 -2.657 18340
463 1 7 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.184 1.054 18340
464 1 7 . 1 1 8 8 LEU H H 137 8.191 8.191 7.437 0.754 18340
465 1 7 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.067 0.099 18340
466 1 7 . 1 1 9 9 ARG H H 138 8.099 8.099 7.475 0.624 18340
467 1 7 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.360 -0.157 18340
468 1 7 . 1 1 10 10 ARG H H 139 8.163 8.163 7.942 0.221 18340
469 1 7 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.482 0.021 18340
470 1 7 . 1 1 11 11 HIS H H 140 8.447 8.447 7.554 0.893 18340
471 1 7 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.015 0.152 18340
472 1 7 . 1 1 12 12 ARG H H 141 8.320 8.320 7.864 0.456 18340
473 1 7 . 1 1 13 13 PHE N N 142 120.300 120.300 118.796 1.504 18340
474 1 7 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.382 0.135 18340
475 1 7 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.617 -3.486 18340
476 1 7 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.226 0.124 18340
477 1 7 . 1 1 13 13 PHE H H 142 8.301 8.301 8.109 0.192 18340
478 1 7 . 1 1 14 14 LEU N N 143 122.800 122.800 120.951 1.849 18340
479 1 7 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.189 0.053 18340
480 1 7 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.918 -1.825 18340
481 1 7 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.671 -0.647 18340
482 1 7 . 1 1 14 14 LEU H H 143 8.270 8.270 7.885 0.385 18340
483 1 7 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340
484 1 7 . 1 1 15 15 TRP H H 144 8.043 8.043 8.915 -0.872 18340
485 1 7 . 1 1 16 16 GLN N N 145 120.900 120.900 117.033 3.867 18340
486 1 7 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.231 -0.141 18340
487 1 7 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.874 -1.383 18340
488 1 7 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.936 0.324 18340
489 1 7 . 1 1 16 16 GLN H H 145 8.037 8.037 8.403 -0.366 18340
490 1 7 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.476 -0.396 18340
491 1 7 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340
492 1 7 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.470 -0.390 18340
493 1 7 . 1 1 18 18 ARG H H 147 8.069 8.069 7.747 0.322 18340
494 1 7 . 1 1 19 19 GLN N N 148 121.600 121.600 119.078 2.522 18340
495 1 7 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.161 -0.086 18340
496 1 7 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.743 -2.782 18340
497 1 7 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.097 2.213 18340
498 1 7 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340
499 1 7 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.959 0.102 18340
500 1 7 . 1 1 20 20 ARG H H 149 8.195 8.195 8.013 0.182 18340
501 1 7 . 1 1 21 21 ALA N N 150 126.000 126.000 119.653 6.347 18340
502 1 7 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.776 0.480 18340
503 1 7 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.881 -1.571 18340
504 1 7 . 1 1 21 21 ALA H H 150 8.380 8.380 8.376 0.004 18340
505 1 8 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.064 0.021 18340
506 1 8 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340
507 1 8 . 1 1 3 3 ALA N N 132 123.300 123.300 120.951 2.349 18340
508 1 8 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.016 0.144 18340
509 1 8 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.875 -1.185 18340
510 1 8 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.414 0.086 18340
511 1 8 . 1 1 3 3 ALA H H 132 8.601 8.601 7.401 1.200 18340
512 1 8 . 1 1 4 4 LEU N N 133 120.400 120.400 119.226 1.174 18340
513 1 8 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.573 0.640 18340
514 1 8 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.645 -1.696 18340
515 1 8 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.368 1.651 18340
516 1 8 . 1 1 4 4 LEU H H 133 7.984 7.984 7.440 0.544 18340
517 1 8 . 1 1 5 5 LYS N N 134 120.700 120.700 118.162 2.538 18340
518 1 8 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.952 0.188 18340
519 1 8 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.450 -1.660 18340
520 1 8 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.435 0.255 18340
521 1 8 . 1 1 5 5 LYS H H 134 7.988 7.988 7.474 0.514 18340
522 1 8 . 1 1 6 6 LYS N N 135 120.900 120.900 119.820 1.080 18340
523 1 8 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.897 0.225 18340
524 1 8 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.908 -2.270 18340
525 1 8 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.233 0.627 18340
526 1 8 . 1 1 6 6 LYS H H 135 8.405 8.405 7.777 0.628 18340
527 1 8 . 1 1 7 7 ALA N N 136 123.900 123.900 124.798 -0.898 18340
528 1 8 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.857 2.328 18340
529 1 8 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.494 -1.284 18340
530 1 8 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.388 0.382 18340
531 1 8 . 1 1 7 7 ALA H H 136 8.085 8.085 7.495 0.590 18340
532 1 8 . 1 1 8 8 LEU N N 137 120.600 120.600 119.150 1.450 18340
533 1 8 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.689 0.555 18340
534 1 8 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.461 -2.514 18340
535 1 8 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.100 1.137 18340
536 1 8 . 1 1 8 8 LEU H H 137 8.191 8.191 7.516 0.675 18340
537 1 8 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.079 0.087 18340
538 1 8 . 1 1 9 9 ARG H H 138 8.099 8.099 7.493 0.606 18340
539 1 8 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.371 -0.168 18340
540 1 8 . 1 1 10 10 ARG H H 139 8.163 8.163 7.930 0.233 18340
541 1 8 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.486 0.017 18340
542 1 8 . 1 1 11 11 HIS H H 140 8.447 8.447 7.568 0.879 18340
543 1 8 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340
544 1 8 . 1 1 12 12 ARG H H 141 8.320 8.320 8.007 0.313 18340
545 1 8 . 1 1 13 13 PHE N N 142 120.300 120.300 118.804 1.496 18340
546 1 8 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.370 0.147 18340
547 1 8 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.610 -3.479 18340
548 1 8 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.234 0.116 18340
549 1 8 . 1 1 13 13 PHE H H 142 8.301 8.301 8.104 0.197 18340
550 1 8 . 1 1 14 14 LEU N N 143 122.800 122.800 121.079 1.721 18340
551 1 8 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340
552 1 8 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.866 -1.773 18340
553 1 8 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.695 -0.671 18340
554 1 8 . 1 1 14 14 LEU H H 143 8.270 8.270 7.865 0.405 18340
555 1 8 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.506 -0.067 18340
556 1 8 . 1 1 15 15 TRP H H 144 8.043 8.043 8.910 -0.867 18340
557 1 8 . 1 1 16 16 GLN N N 145 120.900 120.900 117.014 3.886 18340
558 1 8 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.227 -0.137 18340
559 1 8 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.852 -1.361 18340
560 1 8 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340
561 1 8 . 1 1 16 16 GLN H H 145 8.037 8.037 8.394 -0.357 18340
562 1 8 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.473 -0.393 18340
563 1 8 . 1 1 17 17 ARG H H 146 8.069 8.069 7.769 0.300 18340
564 1 8 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.455 -0.375 18340
565 1 8 . 1 1 18 18 ARG H H 147 8.069 8.069 7.713 0.356 18340
566 1 8 . 1 1 19 19 GLN N N 148 121.600 121.600 119.059 2.541 18340
567 1 8 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.151 -0.076 18340
568 1 8 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.753 -2.792 18340
569 1 8 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.114 2.196 18340
570 1 8 . 1 1 19 19 GLN H H 148 8.370 8.370 8.522 -0.152 18340
571 1 8 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.932 0.129 18340
572 1 8 . 1 1 20 20 ARG H H 149 8.195 8.195 8.095 0.100 18340
573 1 8 . 1 1 21 21 ALA N N 150 126.000 126.000 119.583 6.417 18340
574 1 8 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.787 0.469 18340
575 1 8 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.907 -1.597 18340
576 1 8 . 1 1 21 21 ALA H H 150 8.380 8.380 8.376 0.004 18340
577 1 9 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.071 0.013 18340
578 1 9 . 1 1 2 2 GLU H H 131 8.553 8.553 8.380 0.173 18340
579 1 9 . 1 1 3 3 ALA N N 132 123.300 123.300 120.958 2.342 18340
580 1 9 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.022 0.138 18340
581 1 9 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.911 -1.221 18340
582 1 9 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.452 0.048 18340
583 1 9 . 1 1 3 3 ALA H H 132 8.601 8.601 7.407 1.194 18340
584 1 9 . 1 1 4 4 LEU N N 133 120.400 120.400 119.224 1.176 18340
585 1 9 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.599 0.614 18340
586 1 9 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.672 -1.722 18340
587 1 9 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.382 1.638 18340
588 1 9 . 1 1 4 4 LEU H H 133 7.984 7.984 7.466 0.518 18340
589 1 9 . 1 1 5 5 LYS N N 134 120.700 120.700 118.351 2.349 18340
590 1 9 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.924 0.216 18340
591 1 9 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.684 -1.894 18340
592 1 9 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.392 0.298 18340
593 1 9 . 1 1 5 5 LYS H H 134 7.988 7.988 7.500 0.488 18340
594 1 9 . 1 1 6 6 LYS N N 135 120.900 120.900 119.834 1.066 18340
595 1 9 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.909 0.213 18340
596 1 9 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.914 -2.276 18340
597 1 9 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.230 0.630 18340
598 1 9 . 1 1 6 6 LYS H H 135 8.405 8.405 7.790 0.615 18340
599 1 9 . 1 1 7 7 ALA N N 136 123.900 123.900 124.950 -1.050 18340
600 1 9 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.996 2.188 18340
601 1 9 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.557 -1.347 18340
602 1 9 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.395 0.376 18340
603 1 9 . 1 1 7 7 ALA H H 136 8.085 8.085 7.564 0.521 18340
604 1 9 . 1 1 8 8 LEU N N 137 120.600 120.600 121.261 -0.661 18340
605 1 9 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.814 0.430 18340
606 1 9 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.291 -2.344 18340
607 1 9 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.672 0.566 18340
608 1 9 . 1 1 8 8 LEU H H 137 8.191 8.191 7.512 0.679 18340
609 1 9 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.071 0.095 18340
610 1 9 . 1 1 9 9 ARG H H 138 8.099 8.099 7.487 0.612 18340
611 1 9 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.388 -0.185 18340
612 1 9 . 1 1 10 10 ARG H H 139 8.163 8.163 7.986 0.177 18340
613 1 9 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.547 -0.044 18340
614 1 9 . 1 1 11 11 HIS H H 140 8.447 8.447 7.627 0.820 18340
615 1 9 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340
616 1 9 . 1 1 12 12 ARG H H 141 8.320 8.320 7.907 0.413 18340
617 1 9 . 1 1 13 13 PHE N N 142 120.300 120.300 118.795 1.505 18340
618 1 9 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.389 0.128 18340
619 1 9 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.623 -3.492 18340
620 1 9 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340
621 1 9 . 1 1 13 13 PHE H H 142 8.301 8.301 8.121 0.180 18340
622 1 9 . 1 1 14 14 LEU N N 143 122.800 122.800 120.955 1.845 18340
623 1 9 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.186 0.056 18340
624 1 9 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.924 -1.831 18340
625 1 9 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.667 -0.643 18340
626 1 9 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340
627 1 9 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.531 -0.092 18340
628 1 9 . 1 1 15 15 TRP H H 144 8.043 8.043 8.918 -0.875 18340
629 1 9 . 1 1 16 16 GLN N N 145 120.900 120.900 116.136 4.764 18340
630 1 9 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.226 -0.136 18340
631 1 9 . 1 1 16 16 GLN CA C 145 56.491 56.491 58.140 -1.649 18340
632 1 9 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.905 0.355 18340
633 1 9 . 1 1 16 16 GLN H H 145 8.037 8.037 8.350 -0.313 18340
634 1 9 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.531 -0.451 18340
635 1 9 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340
636 1 9 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.593 -0.513 18340
637 1 9 . 1 1 18 18 ARG H H 147 8.069 8.069 7.771 0.298 18340
638 1 9 . 1 1 19 19 GLN N N 148 121.600 121.600 119.106 2.494 18340
639 1 9 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.203 -0.128 18340
640 1 9 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.837 -2.876 18340
641 1 9 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.134 2.176 18340
642 1 9 . 1 1 19 19 GLN H H 148 8.370 8.370 8.566 -0.196 18340
643 1 9 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.976 0.085 18340
644 1 9 . 1 1 20 20 ARG H H 149 8.195 8.195 8.139 0.056 18340
645 1 9 . 1 1 21 21 ALA N N 150 126.000 126.000 119.629 6.371 18340
646 1 9 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.763 0.493 18340
647 1 9 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.989 -1.679 18340
648 1 9 . 1 1 21 21 ALA H H 150 8.380 8.380 8.463 -0.083 18340
649 1 10 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.075 0.009 18340
650 1 10 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340
651 1 10 . 1 1 3 3 ALA N N 132 123.300 123.300 121.187 2.113 18340
652 1 10 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.984 0.176 18340
653 1 10 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.138 -1.448 18340
654 1 10 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.451 0.049 18340
655 1 10 . 1 1 3 3 ALA H H 132 8.601 8.601 7.445 1.156 18340
656 1 10 . 1 1 4 4 LEU N N 133 120.400 120.400 119.241 1.159 18340
657 1 10 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.620 0.593 18340
658 1 10 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.678 -1.728 18340
659 1 10 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.401 1.619 18340
660 1 10 . 1 1 4 4 LEU H H 133 7.984 7.984 7.464 0.520 18340
661 1 10 . 1 1 5 5 LYS N N 134 120.700 120.700 119.004 1.696 18340
662 1 10 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.939 0.201 18340
663 1 10 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.784 -1.994 18340
664 1 10 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.281 0.409 18340
665 1 10 . 1 1 5 5 LYS H H 134 7.988 7.988 7.436 0.552 18340
666 1 10 . 1 1 6 6 LYS N N 135 120.900 120.900 122.546 -1.646 18340
667 1 10 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.912 0.210 18340
668 1 10 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.126 -2.488 18340
669 1 10 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.958 0.902 18340
670 1 10 . 1 1 6 6 LYS H H 135 8.405 8.405 7.780 0.625 18340
671 1 10 . 1 1 7 7 ALA N N 136 123.900 123.900 124.092 -0.192 18340
672 1 10 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.160 2.024 18340
673 1 10 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.908 -1.698 18340
674 1 10 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.513 0.257 18340
675 1 10 . 1 1 7 7 ALA H H 136 8.085 8.085 7.689 0.397 18340
676 1 10 . 1 1 8 8 LEU N N 137 120.600 120.600 121.339 -0.739 18340
677 1 10 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.844 0.400 18340
678 1 10 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.323 -2.376 18340
679 1 10 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.701 0.537 18340
680 1 10 . 1 1 8 8 LEU H H 137 8.191 8.191 7.553 0.638 18340
681 1 10 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.077 0.089 18340
682 1 10 . 1 1 9 9 ARG H H 138 8.099 8.099 7.513 0.586 18340
683 1 10 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.354 -0.151 18340
684 1 10 . 1 1 10 10 ARG H H 139 8.163 8.163 8.020 0.143 18340
685 1 10 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.523 -0.020 18340
686 1 10 . 1 1 11 11 HIS H H 140 8.447 8.447 7.608 0.839 18340
687 1 10 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.080 0.087 18340
688 1 10 . 1 1 12 12 ARG H H 141 8.320 8.320 7.993 0.327 18340
689 1 10 . 1 1 13 13 PHE N N 142 120.300 120.300 118.812 1.488 18340
690 1 10 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.363 0.154 18340
691 1 10 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.839 -3.708 18340
692 1 10 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.173 0.177 18340
693 1 10 . 1 1 13 13 PHE H H 142 8.301 8.301 8.114 0.187 18340
694 1 10 . 1 1 14 14 LEU N N 143 122.800 122.800 120.469 2.331 18340
695 1 10 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.160 0.082 18340
696 1 10 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.313 -2.220 18340
697 1 10 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.704 -0.680 18340
698 1 10 . 1 1 14 14 LEU H H 143 8.270 8.270 7.899 0.371 18340
699 1 10 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.588 -0.149 18340
700 1 10 . 1 1 15 15 TRP H H 144 8.043 8.043 8.930 -0.887 18340
701 1 10 . 1 1 16 16 GLN N N 145 120.900 120.900 117.046 3.854 18340
702 1 10 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.250 -0.160 18340
703 1 10 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.871 -1.380 18340
704 1 10 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.937 0.323 18340
705 1 10 . 1 1 16 16 GLN H H 145 8.037 8.037 8.414 -0.377 18340
706 1 10 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.472 -0.392 18340
707 1 10 . 1 1 17 17 ARG H H 146 8.069 8.069 7.818 0.251 18340
708 1 10 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.570 -0.490 18340
709 1 10 . 1 1 18 18 ARG H H 147 8.069 8.069 7.828 0.241 18340
710 1 10 . 1 1 19 19 GLN N N 148 121.600 121.600 119.199 2.401 18340
711 1 10 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.221 -0.146 18340
712 1 10 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.837 -2.876 18340
713 1 10 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.148 2.162 18340
714 1 10 . 1 1 19 19 GLN H H 148 8.370 8.370 8.715 -0.345 18340
715 1 10 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.966 0.095 18340
716 1 10 . 1 1 20 20 ARG H H 149 8.195 8.195 8.136 0.059 18340
717 1 10 . 1 1 21 21 ALA N N 150 126.000 126.000 119.674 6.326 18340
718 1 10 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.800 0.456 18340
719 1 10 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.916 -1.605 18340
720 1 10 . 1 1 21 21 ALA H H 150 8.380 8.380 8.412 -0.032 18340
721 1 11 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.083 0.001 18340
722 1 11 . 1 1 2 2 GLU H H 131 8.553 8.553 8.420 0.133 18340
723 1 11 . 1 1 3 3 ALA N N 132 123.300 123.300 121.689 1.611 18340
724 1 11 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.981 0.179 18340
725 1 11 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.999 -1.309 18340
726 1 11 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.645 -0.145 18340
727 1 11 . 1 1 3 3 ALA H H 132 8.601 8.601 7.448 1.153 18340
728 1 11 . 1 1 4 4 LEU N N 133 120.400 120.400 120.048 0.352 18340
729 1 11 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.492 0.721 18340
730 1 11 . 1 1 4 4 LEU CA C 133 55.950 55.950 59.145 -3.195 18340
731 1 11 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.407 0.613 18340
732 1 11 . 1 1 4 4 LEU H H 133 7.984 7.984 7.445 0.539 18340
733 1 11 . 1 1 5 5 LYS N N 134 120.700 120.700 118.049 2.651 18340
734 1 11 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.887 0.253 18340
735 1 11 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.941 -2.151 18340
736 1 11 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.389 0.301 18340
737 1 11 . 1 1 5 5 LYS H H 134 7.988 7.988 7.447 0.541 18340
738 1 11 . 1 1 6 6 LYS N N 135 120.900 120.900 122.684 -1.784 18340
739 1 11 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.887 0.235 18340
740 1 11 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.778 -3.140 18340
741 1 11 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.991 0.869 18340
742 1 11 . 1 1 6 6 LYS H H 135 8.405 8.405 7.792 0.613 18340
743 1 11 . 1 1 7 7 ALA N N 136 123.900 123.900 123.515 0.385 18340
744 1 11 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.106 2.078 18340
745 1 11 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.912 -1.702 18340
746 1 11 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.541 0.229 18340
747 1 11 . 1 1 7 7 ALA H H 136 8.085 8.085 7.584 0.501 18340
748 1 11 . 1 1 8 8 LEU N N 137 120.600 120.600 120.620 -0.020 18340
749 1 11 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.916 0.328 18340
750 1 11 . 1 1 8 8 LEU CA C 137 55.947 55.947 57.763 -1.816 18340
751 1 11 . 1 1 8 8 LEU CB C 137 42.238 42.238 40.540 1.698 18340
752 1 11 . 1 1 8 8 LEU H H 137 8.191 8.191 7.598 0.593 18340
753 1 11 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.074 0.092 18340
754 1 11 . 1 1 9 9 ARG H H 138 8.099 8.099 7.538 0.561 18340
755 1 11 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.413 -0.210 18340
756 1 11 . 1 1 10 10 ARG H H 139 8.163 8.163 8.038 0.125 18340
757 1 11 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.552 -0.049 18340
758 1 11 . 1 1 11 11 HIS H H 140 8.447 8.447 7.639 0.808 18340
759 1 11 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.020 0.147 18340
760 1 11 . 1 1 12 12 ARG H H 141 8.320 8.320 8.625 -0.305 18340
761 1 11 . 1 1 13 13 PHE N N 142 120.300 120.300 118.923 1.377 18340
762 1 11 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.408 0.109 18340
763 1 11 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.287 -3.156 18340
764 1 11 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.088 0.262 18340
765 1 11 . 1 1 13 13 PHE H H 142 8.301 8.301 8.117 0.184 18340
766 1 11 . 1 1 14 14 LEU N N 143 122.800 122.800 121.225 1.575 18340
767 1 11 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340
768 1 11 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.880 -1.787 18340
769 1 11 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.649 -0.625 18340
770 1 11 . 1 1 14 14 LEU H H 143 8.270 8.270 7.872 0.398 18340
771 1 11 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.529 -0.090 18340
772 1 11 . 1 1 15 15 TRP H H 144 8.043 8.043 8.921 -0.878 18340
773 1 11 . 1 1 16 16 GLN N N 145 120.900 120.900 117.027 3.873 18340
774 1 11 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340
775 1 11 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.861 -1.370 18340
776 1 11 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.937 0.323 18340
777 1 11 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340
778 1 11 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340
779 1 11 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340
780 1 11 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.474 -0.394 18340
781 1 11 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340
782 1 11 . 1 1 19 19 GLN N N 148 121.600 121.600 119.072 2.528 18340
783 1 11 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.179 -0.104 18340
784 1 11 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.792 -2.831 18340
785 1 11 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.131 2.179 18340
786 1 11 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340
787 1 11 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.963 0.098 18340
788 1 11 . 1 1 20 20 ARG H H 149 8.195 8.195 8.116 0.079 18340
789 1 11 . 1 1 21 21 ALA N N 150 126.000 126.000 119.659 6.341 18340
790 1 11 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.796 0.460 18340
791 1 11 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.912 -1.602 18340
792 1 11 . 1 1 21 21 ALA H H 150 8.380 8.380 8.394 -0.014 18340
793 1 12 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.094 -0.010 18340
794 1 12 . 1 1 2 2 GLU H H 131 8.553 8.553 8.399 0.154 18340
795 1 12 . 1 1 3 3 ALA N N 132 123.300 123.300 121.385 1.915 18340
796 1 12 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.043 0.117 18340
797 1 12 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.057 -1.367 18340
798 1 12 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.397 0.103 18340
799 1 12 . 1 1 3 3 ALA H H 132 8.601 8.601 7.483 1.118 18340
800 1 12 . 1 1 4 4 LEU N N 133 120.400 120.400 119.306 1.094 18340
801 1 12 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.740 0.473 18340
802 1 12 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.801 -1.851 18340
803 1 12 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.465 1.555 18340
804 1 12 . 1 1 4 4 LEU H H 133 7.984 7.984 7.554 0.430 18340
805 1 12 . 1 1 5 5 LYS N N 134 120.700 120.700 118.944 1.756 18340
806 1 12 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.115 0.025 18340
807 1 12 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.343 -1.554 18340
808 1 12 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.356 0.334 18340
809 1 12 . 1 1 5 5 LYS H H 134 7.988 7.988 7.487 0.501 18340
810 1 12 . 1 1 6 6 LYS N N 135 120.900 120.900 122.737 -1.837 18340
811 1 12 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.963 0.159 18340
812 1 12 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.420 -2.782 18340
813 1 12 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.100 0.760 18340
814 1 12 . 1 1 6 6 LYS H H 135 8.405 8.405 7.919 0.486 18340
815 1 12 . 1 1 7 7 ALA N N 136 123.900 123.900 124.708 -0.808 18340
816 1 12 . 1 1 7 7 ALA HA H 136 4.184 4.184 4.039 0.145 18340
817 1 12 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.915 -2.705 18340
818 1 12 . 1 1 7 7 ALA CB C 136 18.770 18.770 19.016 -0.246 18340
819 1 12 . 1 1 7 7 ALA H H 136 8.085 8.085 8.120 -0.035 18340
820 1 12 . 1 1 8 8 LEU N N 137 120.600 120.600 120.780 -0.180 18340
821 1 12 . 1 1 8 8 LEU HA H 137 4.244 4.244 4.037 0.207 18340
822 1 12 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.491 -2.544 18340
823 1 12 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.246 0.992 18340
824 1 12 . 1 1 8 8 LEU H H 137 8.191 8.191 7.834 0.357 18340
825 1 12 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.976 0.190 18340
826 1 12 . 1 1 9 9 ARG H H 138 8.099 8.099 7.747 0.352 18340
827 1 12 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.375 -0.172 18340
828 1 12 . 1 1 10 10 ARG H H 139 8.163 8.163 8.518 -0.355 18340
829 1 12 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.609 -0.106 18340
830 1 12 . 1 1 11 11 HIS H H 140 8.447 8.447 7.717 0.730 18340
831 1 12 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.035 0.132 18340
832 1 12 . 1 1 12 12 ARG H H 141 8.320 8.320 7.965 0.355 18340
833 1 12 . 1 1 13 13 PHE N N 142 120.300 120.300 118.913 1.387 18340
834 1 12 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.359 0.158 18340
835 1 12 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.236 -3.105 18340
836 1 12 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.019 0.331 18340
837 1 12 . 1 1 13 13 PHE H H 142 8.301 8.301 8.082 0.219 18340
838 1 12 . 1 1 14 14 LEU N N 143 122.800 122.800 121.408 1.392 18340
839 1 12 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.236 0.006 18340
840 1 12 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.897 -1.804 18340
841 1 12 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.780 -0.756 18340
842 1 12 . 1 1 14 14 LEU H H 143 8.270 8.270 7.901 0.369 18340
843 1 12 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.530 -0.091 18340
844 1 12 . 1 1 15 15 TRP H H 144 8.043 8.043 8.943 -0.900 18340
845 1 12 . 1 1 16 16 GLN N N 145 120.900 120.900 117.022 3.878 18340
846 1 12 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.230 -0.140 18340
847 1 12 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.853 -1.363 18340
848 1 12 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.926 0.334 18340
849 1 12 . 1 1 16 16 GLN H H 145 8.037 8.037 8.401 -0.364 18340
850 1 12 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.466 -0.386 18340
851 1 12 . 1 1 17 17 ARG H H 146 8.069 8.069 7.790 0.279 18340
852 1 12 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.489 -0.409 18340
853 1 12 . 1 1 18 18 ARG H H 147 8.069 8.069 7.736 0.333 18340
854 1 12 . 1 1 19 19 GLN N N 148 121.600 121.600 119.299 2.301 18340
855 1 12 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.179 -0.104 18340
856 1 12 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.728 -2.767 18340
857 1 12 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.178 2.132 18340
858 1 12 . 1 1 19 19 GLN H H 148 8.370 8.370 8.566 -0.196 18340
859 1 12 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.962 0.099 18340
860 1 12 . 1 1 20 20 ARG H H 149 8.195 8.195 8.098 0.097 18340
861 1 12 . 1 1 21 21 ALA N N 150 126.000 126.000 119.650 6.350 18340
862 1 12 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.787 0.469 18340
863 1 12 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.908 -1.598 18340
864 1 12 . 1 1 21 21 ALA H H 150 8.380 8.380 8.385 -0.005 18340
865 1 13 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.078 0.006 18340
866 1 13 . 1 1 2 2 GLU H H 131 8.553 8.553 8.400 0.153 18340
867 1 13 . 1 1 3 3 ALA N N 132 123.300 123.300 120.451 2.849 18340
868 1 13 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.991 0.169 18340
869 1 13 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.980 -1.290 18340
870 1 13 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.555 -0.055 18340
871 1 13 . 1 1 3 3 ALA H H 132 8.601 8.601 7.451 1.150 18340
872 1 13 . 1 1 4 4 LEU N N 133 120.400 120.400 118.000 2.400 18340
873 1 13 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.546 0.667 18340
874 1 13 . 1 1 4 4 LEU CA C 133 55.950 55.950 58.661 -2.711 18340
875 1 13 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.418 0.602 18340
876 1 13 . 1 1 4 4 LEU H H 133 7.984 7.984 7.274 0.710 18340
877 1 13 . 1 1 5 5 LYS N N 134 120.700 120.700 120.052 0.648 18340
878 1 13 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.928 0.212 18340
879 1 13 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.364 -1.574 18340
880 1 13 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.377 0.313 18340
881 1 13 . 1 1 5 5 LYS H H 134 7.988 7.988 7.475 0.513 18340
882 1 13 . 1 1 6 6 LYS N N 135 120.900 120.900 122.225 -1.325 18340
883 1 13 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.907 0.215 18340
884 1 13 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.245 -2.607 18340
885 1 13 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.920 0.940 18340
886 1 13 . 1 1 6 6 LYS H H 135 8.405 8.405 7.715 0.690 18340
887 1 13 . 1 1 7 7 ALA N N 136 123.900 123.900 124.224 -0.324 18340
888 1 13 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.122 2.062 18340
889 1 13 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.959 -1.749 18340
890 1 13 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.453 0.317 18340
891 1 13 . 1 1 7 7 ALA H H 136 8.085 8.085 7.659 0.426 18340
892 1 13 . 1 1 8 8 LEU N N 137 120.600 120.600 119.288 1.312 18340
893 1 13 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.812 0.432 18340
894 1 13 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.715 -2.768 18340
895 1 13 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.270 0.967 18340
896 1 13 . 1 1 8 8 LEU H H 137 8.191 8.191 7.578 0.613 18340
897 1 13 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.099 0.067 18340
898 1 13 . 1 1 9 9 ARG H H 138 8.099 8.099 7.525 0.574 18340
899 1 13 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.389 -0.186 18340
900 1 13 . 1 1 10 10 ARG H H 139 8.163 8.163 8.015 0.148 18340
901 1 13 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.553 -0.050 18340
902 1 13 . 1 1 11 11 HIS H H 140 8.447 8.447 7.640 0.807 18340
903 1 13 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340
904 1 13 . 1 1 12 12 ARG H H 141 8.320 8.320 7.918 0.402 18340
905 1 13 . 1 1 13 13 PHE N N 142 120.300 120.300 118.794 1.506 18340
906 1 13 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.387 0.130 18340
907 1 13 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.626 -3.495 18340
908 1 13 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.237 0.113 18340
909 1 13 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340
910 1 13 . 1 1 14 14 LEU N N 143 122.800 122.800 120.949 1.851 18340
911 1 13 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.185 0.057 18340
912 1 13 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.919 -1.826 18340
913 1 13 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.669 -0.645 18340
914 1 13 . 1 1 14 14 LEU H H 143 8.270 8.270 7.892 0.378 18340
915 1 13 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340
916 1 13 . 1 1 15 15 TRP H H 144 8.043 8.043 8.921 -0.878 18340
917 1 13 . 1 1 16 16 GLN N N 145 120.900 120.900 117.023 3.877 18340
918 1 13 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340
919 1 13 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.863 -1.372 18340
920 1 13 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.938 0.322 18340
921 1 13 . 1 1 16 16 GLN H H 145 8.037 8.037 8.403 -0.366 18340
922 1 13 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.482 -0.402 18340
923 1 13 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340
924 1 13 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.477 -0.397 18340
925 1 13 . 1 1 18 18 ARG H H 147 8.069 8.069 7.746 0.323 18340
926 1 13 . 1 1 19 19 GLN N N 148 121.600 121.600 119.081 2.519 18340
927 1 13 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.172 -0.097 18340
928 1 13 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.786 -2.825 18340
929 1 13 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.125 2.185 18340
930 1 13 . 1 1 19 19 GLN H H 148 8.370 8.370 8.565 -0.195 18340
931 1 13 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.955 0.106 18340
932 1 13 . 1 1 20 20 ARG H H 149 8.195 8.195 8.027 0.168 18340
933 1 13 . 1 1 21 21 ALA N N 150 126.000 126.000 119.610 6.390 18340
934 1 13 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.800 0.456 18340
935 1 13 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.928 -1.618 18340
936 1 13 . 1 1 21 21 ALA H H 150 8.380 8.380 8.396 -0.016 18340
937 1 14 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.094 -0.010 18340
938 1 14 . 1 1 2 2 GLU H H 131 8.553 8.553 8.325 0.228 18340
939 1 14 . 1 1 3 3 ALA N N 132 123.300 123.300 121.842 1.458 18340
940 1 14 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.060 0.100 18340
941 1 14 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.919 -1.229 18340
942 1 14 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.925 -0.425 18340
943 1 14 . 1 1 3 3 ALA H H 132 8.601 8.601 7.431 1.170 18340
944 1 14 . 1 1 4 4 LEU N N 133 120.400 120.400 119.100 1.300 18340
945 1 14 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.768 0.445 18340
946 1 14 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.742 -1.792 18340
947 1 14 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.419 1.601 18340
948 1 14 . 1 1 4 4 LEU H H 133 7.984 7.984 7.521 0.463 18340
949 1 14 . 1 1 5 5 LYS N N 134 120.700 120.700 119.463 1.237 18340
950 1 14 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.925 0.215 18340
951 1 14 . 1 1 5 5 LYS CA C 134 57.790 57.790 60.059 -2.269 18340
952 1 14 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.404 0.286 18340
953 1 14 . 1 1 5 5 LYS H H 134 7.988 7.988 7.501 0.487 18340
954 1 14 . 1 1 6 6 LYS N N 135 120.900 120.900 122.399 -1.499 18340
955 1 14 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.962 0.160 18340
956 1 14 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.726 -3.088 18340
957 1 14 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.146 0.714 18340
958 1 14 . 1 1 6 6 LYS H H 135 8.405 8.405 7.881 0.524 18340
959 1 14 . 1 1 7 7 ALA N N 136 123.900 123.900 125.017 -1.117 18340
960 1 14 . 1 1 7 7 ALA HA H 136 4.184 4.184 4.034 0.150 18340
961 1 14 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.942 -2.732 18340
962 1 14 . 1 1 7 7 ALA CB C 136 18.770 18.770 19.001 -0.231 18340
963 1 14 . 1 1 7 7 ALA H H 136 8.085 8.085 8.162 -0.077 18340
964 1 14 . 1 1 8 8 LEU N N 137 120.600 120.600 119.105 1.495 18340
965 1 14 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.972 0.272 18340
966 1 14 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.806 -2.859 18340
967 1 14 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.051 1.187 18340
968 1 14 . 1 1 8 8 LEU H H 137 8.191 8.191 7.834 0.357 18340
969 1 14 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.988 0.178 18340
970 1 14 . 1 1 9 9 ARG H H 138 8.099 8.099 7.767 0.332 18340
971 1 14 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.341 -0.138 18340
972 1 14 . 1 1 10 10 ARG H H 139 8.163 8.163 8.499 -0.336 18340
973 1 14 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.604 -0.101 18340
974 1 14 . 1 1 11 11 HIS H H 140 8.447 8.447 7.712 0.735 18340
975 1 14 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.037 0.130 18340
976 1 14 . 1 1 12 12 ARG H H 141 8.320 8.320 7.946 0.374 18340
977 1 14 . 1 1 13 13 PHE N N 142 120.300 120.300 118.775 1.525 18340
978 1 14 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.350 0.167 18340
979 1 14 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.591 -3.460 18340
980 1 14 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.151 0.199 18340
981 1 14 . 1 1 13 13 PHE H H 142 8.301 8.301 8.094 0.207 18340
982 1 14 . 1 1 14 14 LEU N N 143 122.800 122.800 120.993 1.807 18340
983 1 14 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.249 -0.007 18340
984 1 14 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.986 -1.893 18340
985 1 14 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.793 -0.769 18340
986 1 14 . 1 1 14 14 LEU H H 143 8.270 8.270 7.936 0.334 18340
987 1 14 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.544 -0.105 18340
988 1 14 . 1 1 15 15 TRP H H 144 8.043 8.043 8.956 -0.913 18340
989 1 14 . 1 1 16 16 GLN N N 145 120.900 120.900 117.031 3.869 18340
990 1 14 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.235 -0.145 18340
991 1 14 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.859 -1.368 18340
992 1 14 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.943 0.317 18340
993 1 14 . 1 1 16 16 GLN H H 145 8.037 8.037 8.414 -0.377 18340
994 1 14 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.500 -0.420 18340
995 1 14 . 1 1 17 17 ARG H H 146 8.069 8.069 7.788 0.281 18340
996 1 14 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.558 -0.478 18340
997 1 14 . 1 1 18 18 ARG H H 147 8.069 8.069 7.758 0.311 18340
998 1 14 . 1 1 19 19 GLN N N 148 121.600 121.600 119.118 2.482 18340
999 1 14 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.233 -0.158 18340
1000 1 14 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.833 -2.872 18340
1001 1 14 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.122 2.188 18340
1002 1 14 . 1 1 19 19 GLN H H 148 8.370 8.370 8.606 -0.236 18340
1003 1 14 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.903 0.158 18340
1004 1 14 . 1 1 20 20 ARG H H 149 8.195 8.195 8.109 0.086 18340
1005 1 14 . 1 1 21 21 ALA N N 150 126.000 126.000 119.517 6.483 18340
1006 1 14 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.693 0.563 18340
1007 1 14 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.897 -1.587 18340
1008 1 14 . 1 1 21 21 ALA H H 150 8.380 8.380 8.374 0.006 18340
1009 1 15 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.077 0.007 18340
1010 1 15 . 1 1 2 2 GLU H H 131 8.553 8.553 8.327 0.226 18340
1011 1 15 . 1 1 3 3 ALA N N 132 123.300 123.300 121.689 1.611 18340
1012 1 15 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.053 0.107 18340
1013 1 15 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.617 -0.927 18340
1014 1 15 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.972 -0.472 18340
1015 1 15 . 1 1 3 3 ALA H H 132 8.601 8.601 7.368 1.233 18340
1016 1 15 . 1 1 4 4 LEU N N 133 120.400 120.400 119.036 1.364 18340
1017 1 15 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.599 0.614 18340
1018 1 15 . 1 1 4 4 LEU CA C 133 55.950 55.950 58.032 -2.082 18340
1019 1 15 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.523 1.497 18340
1020 1 15 . 1 1 4 4 LEU H H 133 7.984 7.984 7.521 0.463 18340
1021 1 15 . 1 1 5 5 LYS N N 134 120.700 120.700 118.251 2.449 18340
1022 1 15 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.006 0.134 18340
1023 1 15 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.433 -1.643 18340
1024 1 15 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.423 0.266 18340
1025 1 15 . 1 1 5 5 LYS H H 134 7.988 7.988 7.477 0.511 18340
1026 1 15 . 1 1 6 6 LYS N N 135 120.900 120.900 119.755 1.145 18340
1027 1 15 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.938 0.184 18340
1028 1 15 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.362 -1.724 18340
1029 1 15 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.834 1.026 18340
1030 1 15 . 1 1 6 6 LYS H H 135 8.405 8.405 7.757 0.648 18340
1031 1 15 . 1 1 7 7 ALA N N 136 123.900 123.900 124.308 -0.408 18340
1032 1 15 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.826 2.358 18340
1033 1 15 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.729 -1.519 18340
1034 1 15 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.367 0.403 18340
1035 1 15 . 1 1 7 7 ALA H H 136 8.085 8.085 7.485 0.600 18340
1036 1 15 . 1 1 8 8 LEU N N 137 120.600 120.600 119.198 1.402 18340
1037 1 15 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.799 0.445 18340
1038 1 15 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.714 -2.767 18340
1039 1 15 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.231 1.007 18340
1040 1 15 . 1 1 8 8 LEU H H 137 8.191 8.191 7.542 0.649 18340
1041 1 15 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.092 0.074 18340
1042 1 15 . 1 1 9 9 ARG H H 138 8.099 8.099 7.496 0.603 18340
1043 1 15 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.387 -0.184 18340
1044 1 15 . 1 1 10 10 ARG H H 139 8.163 8.163 7.949 0.214 18340
1045 1 15 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.551 -0.048 18340
1046 1 15 . 1 1 11 11 HIS H H 140 8.447 8.447 7.624 0.823 18340
1047 1 15 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340
1048 1 15 . 1 1 12 12 ARG H H 141 8.320 8.320 7.914 0.406 18340
1049 1 15 . 1 1 13 13 PHE N N 142 120.300 120.300 118.804 1.496 18340
1050 1 15 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340
1051 1 15 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.624 -3.493 18340
1052 1 15 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340
1053 1 15 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340
1054 1 15 . 1 1 14 14 LEU N N 143 122.800 122.800 120.957 1.843 18340
1055 1 15 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.186 0.056 18340
1056 1 15 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.913 -1.820 18340
1057 1 15 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.672 -0.648 18340
1058 1 15 . 1 1 14 14 LEU H H 143 8.270 8.270 7.888 0.382 18340
1059 1 15 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.525 -0.086 18340
1060 1 15 . 1 1 15 15 TRP H H 144 8.043 8.043 8.919 -0.876 18340
1061 1 15 . 1 1 16 16 GLN N N 145 120.900 120.900 117.030 3.870 18340
1062 1 15 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.236 -0.146 18340
1063 1 15 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.864 -1.373 18340
1064 1 15 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.935 0.325 18340
1065 1 15 . 1 1 16 16 GLN H H 145 8.037 8.037 8.404 -0.367 18340
1066 1 15 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.481 -0.401 18340
1067 1 15 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340
1068 1 15 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.474 -0.394 18340
1069 1 15 . 1 1 18 18 ARG H H 147 8.069 8.069 7.743 0.326 18340
1070 1 15 . 1 1 19 19 GLN N N 148 121.600 121.600 119.073 2.527 18340
1071 1 15 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.170 -0.095 18340
1072 1 15 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.791 -2.830 18340
1073 1 15 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.129 2.181 18340
1074 1 15 . 1 1 19 19 GLN H H 148 8.370 8.370 8.562 -0.192 18340
1075 1 15 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.951 0.110 18340
1076 1 15 . 1 1 20 20 ARG H H 149 8.195 8.195 8.118 0.077 18340
1077 1 15 . 1 1 21 21 ALA N N 150 126.000 126.000 119.584 6.416 18340
1078 1 15 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.797 0.459 18340
1079 1 15 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.925 -1.615 18340
1080 1 15 . 1 1 21 21 ALA H H 150 8.380 8.380 8.391 -0.011 18340
1081 1 16 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.076 0.008 18340
1082 1 16 . 1 1 2 2 GLU H H 131 8.553 8.553 8.451 0.102 18340
1083 1 16 . 1 1 3 3 ALA N N 132 123.300 123.300 121.483 1.817 18340
1084 1 16 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.039 0.121 18340
1085 1 16 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.100 -1.410 18340
1086 1 16 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.244 0.257 18340
1087 1 16 . 1 1 3 3 ALA H H 132 8.601 8.601 7.429 1.172 18340
1088 1 16 . 1 1 4 4 LEU N N 133 120.400 120.400 119.355 1.045 18340
1089 1 16 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.709 0.504 18340
1090 1 16 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.822 -1.872 18340
1091 1 16 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.439 1.581 18340
1092 1 16 . 1 1 4 4 LEU H H 133 7.984 7.984 7.525 0.459 18340
1093 1 16 . 1 1 5 5 LYS N N 134 120.700 120.700 118.936 1.764 18340
1094 1 16 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.059 0.081 18340
1095 1 16 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.540 -1.750 18340
1096 1 16 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.343 0.347 18340
1097 1 16 . 1 1 5 5 LYS H H 134 7.988 7.988 7.491 0.497 18340
1098 1 16 . 1 1 6 6 LYS N N 135 120.900 120.900 122.739 -1.839 18340
1099 1 16 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.953 0.169 18340
1100 1 16 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.501 -2.863 18340
1101 1 16 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.142 0.718 18340
1102 1 16 . 1 1 6 6 LYS H H 135 8.405 8.405 7.870 0.535 18340
1103 1 16 . 1 1 7 7 ALA N N 136 123.900 123.900 124.985 -1.085 18340
1104 1 16 . 1 1 7 7 ALA HA H 136 4.184 4.184 3.974 0.210 18340
1105 1 16 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.896 -2.686 18340
1106 1 16 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.953 -0.183 18340
1107 1 16 . 1 1 7 7 ALA H H 136 8.085 8.085 8.159 -0.074 18340
1108 1 16 . 1 1 8 8 LEU N N 137 120.600 120.600 119.316 1.284 18340
1109 1 16 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.870 0.374 18340
1110 1 16 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.780 -2.833 18340
1111 1 16 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.204 1.034 18340
1112 1 16 . 1 1 8 8 LEU H H 137 8.191 8.191 7.809 0.382 18340
1113 1 16 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.971 0.195 18340
1114 1 16 . 1 1 9 9 ARG H H 138 8.099 8.099 7.708 0.391 18340
1115 1 16 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.322 -0.119 18340
1116 1 16 . 1 1 10 10 ARG H H 139 8.163 8.163 8.478 -0.315 18340
1117 1 16 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.542 -0.039 18340
1118 1 16 . 1 1 11 11 HIS H H 140 8.447 8.447 7.651 0.796 18340
1119 1 16 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.032 0.135 18340
1120 1 16 . 1 1 12 12 ARG H H 141 8.320 8.320 7.904 0.416 18340
1121 1 16 . 1 1 13 13 PHE N N 142 120.300 120.300 118.759 1.541 18340
1122 1 16 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.343 0.174 18340
1123 1 16 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.584 -3.453 18340
1124 1 16 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.138 0.212 18340
1125 1 16 . 1 1 13 13 PHE H H 142 8.301 8.301 8.072 0.229 18340
1126 1 16 . 1 1 14 14 LEU N N 143 122.800 122.800 120.961 1.839 18340
1127 1 16 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.257 -0.015 18340
1128 1 16 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.004 -1.911 18340
1129 1 16 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.802 -0.778 18340
1130 1 16 . 1 1 14 14 LEU H H 143 8.270 8.270 7.931 0.339 18340
1131 1 16 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.563 -0.124 18340
1132 1 16 . 1 1 15 15 TRP H H 144 8.043 8.043 8.957 -0.914 18340
1133 1 16 . 1 1 16 16 GLN N N 145 120.900 120.900 117.041 3.859 18340
1134 1 16 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.239 -0.149 18340
1135 1 16 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.868 -1.377 18340
1136 1 16 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340
1137 1 16 . 1 1 16 16 GLN H H 145 8.037 8.037 8.415 -0.378 18340
1138 1 16 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340
1139 1 16 . 1 1 17 17 ARG H H 146 8.069 8.069 7.806 0.263 18340
1140 1 16 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.488 -0.408 18340
1141 1 16 . 1 1 18 18 ARG H H 147 8.069 8.069 7.766 0.303 18340
1142 1 16 . 1 1 19 19 GLN N N 148 121.600 121.600 119.098 2.502 18340
1143 1 16 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.170 -0.095 18340
1144 1 16 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.793 -2.832 18340
1145 1 16 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.127 2.183 18340
1146 1 16 . 1 1 19 19 GLN H H 148 8.370 8.370 8.603 -0.233 18340
1147 1 16 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.943 0.118 18340
1148 1 16 . 1 1 20 20 ARG H H 149 8.195 8.195 8.109 0.086 18340
1149 1 16 . 1 1 21 21 ALA N N 150 126.000 126.000 119.631 6.369 18340
1150 1 16 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.777 0.479 18340
1151 1 16 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.898 -1.588 18340
1152 1 16 . 1 1 21 21 ALA H H 150 8.380 8.380 8.380 0.000 18340
1153 1 17 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.079 0.005 18340
1154 1 17 . 1 1 2 2 GLU H H 131 8.553 8.553 8.410 0.143 18340
1155 1 17 . 1 1 3 3 ALA N N 132 123.300 123.300 121.668 1.632 18340
1156 1 17 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.971 0.189 18340
1157 1 17 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.129 -1.439 18340
1158 1 17 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.521 -0.021 18340
1159 1 17 . 1 1 3 3 ALA H H 132 8.601 8.601 7.455 1.146 18340
1160 1 17 . 1 1 4 4 LEU N N 133 120.400 120.400 119.238 1.162 18340
1161 1 17 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.575 0.638 18340
1162 1 17 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.651 -1.701 18340
1163 1 17 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.371 1.649 18340
1164 1 17 . 1 1 4 4 LEU H H 133 7.984 7.984 7.460 0.524 18340
1165 1 17 . 1 1 5 5 LYS N N 134 120.700 120.700 118.914 1.786 18340
1166 1 17 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.032 0.108 18340
1167 1 17 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.371 -1.581 18340
1168 1 17 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.344 0.346 18340
1169 1 17 . 1 1 5 5 LYS H H 134 7.988 7.988 7.393 0.595 18340
1170 1 17 . 1 1 6 6 LYS N N 135 120.900 120.900 122.662 -1.762 18340
1171 1 17 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.875 0.247 18340
1172 1 17 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.772 -3.134 18340
1173 1 17 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.995 0.865 18340
1174 1 17 . 1 1 6 6 LYS H H 135 8.405 8.405 7.757 0.648 18340
1175 1 17 . 1 1 7 7 ALA N N 136 123.900 123.900 123.810 0.090 18340
1176 1 17 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.978 2.206 18340
1177 1 17 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.965 -1.754 18340
1178 1 17 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.430 0.340 18340
1179 1 17 . 1 1 7 7 ALA H H 136 8.085 8.085 7.574 0.510 18340
1180 1 17 . 1 1 8 8 LEU N N 137 120.600 120.600 119.062 1.538 18340
1181 1 17 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.719 0.525 18340
1182 1 17 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.763 -2.816 18340
1183 1 17 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.054 1.184 18340
1184 1 17 . 1 1 8 8 LEU H H 137 8.191 8.191 7.542 0.649 18340
1185 1 17 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.080 0.086 18340
1186 1 17 . 1 1 9 9 ARG H H 138 8.099 8.099 7.477 0.622 18340
1187 1 17 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.360 -0.157 18340
1188 1 17 . 1 1 10 10 ARG H H 139 8.163 8.163 7.978 0.185 18340
1189 1 17 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.445 0.058 18340
1190 1 17 . 1 1 11 11 HIS H H 140 8.447 8.447 7.557 0.890 18340
1191 1 17 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.002 0.165 18340
1192 1 17 . 1 1 12 12 ARG H H 141 8.320 8.320 7.857 0.463 18340
1193 1 17 . 1 1 13 13 PHE N N 142 120.300 120.300 118.775 1.525 18340
1194 1 17 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.364 0.153 18340
1195 1 17 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.614 -3.483 18340
1196 1 17 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.237 0.113 18340
1197 1 17 . 1 1 13 13 PHE H H 142 8.301 8.301 8.093 0.208 18340
1198 1 17 . 1 1 14 14 LEU N N 143 122.800 122.800 121.088 1.712 18340
1199 1 17 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.177 0.065 18340
1200 1 17 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.800 -1.707 18340
1201 1 17 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340
1202 1 17 . 1 1 14 14 LEU H H 143 8.270 8.270 7.854 0.416 18340
1203 1 17 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.488 -0.049 18340
1204 1 17 . 1 1 15 15 TRP H H 144 8.043 8.043 8.890 -0.847 18340
1205 1 17 . 1 1 16 16 GLN N N 145 120.900 120.900 117.009 3.891 18340
1206 1 17 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.221 -0.131 18340
1207 1 17 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.845 -1.354 18340
1208 1 17 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.929 0.331 18340
1209 1 17 . 1 1 16 16 GLN H H 145 8.037 8.037 8.384 -0.347 18340
1210 1 17 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.465 -0.385 18340
1211 1 17 . 1 1 17 17 ARG H H 146 8.069 8.069 7.769 0.300 18340
1212 1 17 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.448 -0.368 18340
1213 1 17 . 1 1 18 18 ARG H H 147 8.069 8.069 7.706 0.363 18340
1214 1 17 . 1 1 19 19 GLN N N 148 121.600 121.600 119.158 2.442 18340
1215 1 17 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.150 -0.075 18340
1216 1 17 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.721 -2.760 18340
1217 1 17 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.131 2.179 18340
1218 1 17 . 1 1 19 19 GLN H H 148 8.370 8.370 8.515 -0.145 18340
1219 1 17 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.908 0.153 18340
1220 1 17 . 1 1 20 20 ARG H H 149 8.195 8.195 8.036 0.159 18340
1221 1 17 . 1 1 21 21 ALA N N 150 126.000 126.000 119.633 6.367 18340
1222 1 17 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.762 0.494 18340
1223 1 17 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.866 -1.556 18340
1224 1 17 . 1 1 21 21 ALA H H 150 8.380 8.380 8.348 0.032 18340
1225 1 18 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.065 0.019 18340
1226 1 18 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340
1227 1 18 . 1 1 3 3 ALA N N 132 123.300 123.300 121.162 2.138 18340
1228 1 18 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.968 0.192 18340
1229 1 18 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.097 -1.407 18340
1230 1 18 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.457 0.043 18340
1231 1 18 . 1 1 3 3 ALA H H 132 8.601 8.601 7.421 1.180 18340
1232 1 18 . 1 1 4 4 LEU N N 133 120.400 120.400 119.042 1.358 18340
1233 1 18 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.578 0.635 18340
1234 1 18 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.698 -1.748 18340
1235 1 18 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.264 1.756 18340
1236 1 18 . 1 1 4 4 LEU H H 133 7.984 7.984 7.413 0.571 18340
1237 1 18 . 1 1 5 5 LYS N N 134 120.700 120.700 118.607 2.093 18340
1238 1 18 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.025 0.115 18340
1239 1 18 . 1 1 5 5 LYS CA C 134 57.790 57.790 58.688 -0.898 18340
1240 1 18 . 1 1 5 5 LYS CB C 134 32.690 32.690 31.942 0.748 18340
1241 1 18 . 1 1 5 5 LYS H H 134 7.988 7.988 7.425 0.563 18340
1242 1 18 . 1 1 6 6 LYS N N 135 120.900 120.900 122.572 -1.672 18340
1243 1 18 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.920 0.202 18340
1244 1 18 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.102 -2.465 18340
1245 1 18 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.932 0.928 18340
1246 1 18 . 1 1 6 6 LYS H H 135 8.405 8.405 7.741 0.664 18340
1247 1 18 . 1 1 7 7 ALA N N 136 123.900 123.900 124.151 -0.251 18340
1248 1 18 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.039 2.145 18340
1249 1 18 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.906 -1.696 18340
1250 1 18 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.402 0.368 18340
1251 1 18 . 1 1 7 7 ALA H H 136 8.085 8.085 7.617 0.468 18340
1252 1 18 . 1 1 8 8 LEU N N 137 120.600 120.600 119.123 1.477 18340
1253 1 18 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.702 0.542 18340
1254 1 18 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.656 -2.709 18340
1255 1 18 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.069 1.169 18340
1256 1 18 . 1 1 8 8 LEU H H 137 8.191 8.191 7.536 0.655 18340
1257 1 18 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.078 0.088 18340
1258 1 18 . 1 1 9 9 ARG H H 138 8.099 8.099 7.526 0.573 18340
1259 1 18 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340
1260 1 18 . 1 1 10 10 ARG H H 139 8.163 8.163 7.982 0.181 18340
1261 1 18 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.494 0.009 18340
1262 1 18 . 1 1 11 11 HIS H H 140 8.447 8.447 7.579 0.868 18340
1263 1 18 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.012 0.155 18340
1264 1 18 . 1 1 12 12 ARG H H 141 8.320 8.320 8.541 -0.221 18340
1265 1 18 . 1 1 13 13 PHE N N 142 120.300 120.300 118.783 1.517 18340
1266 1 18 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.371 0.146 18340
1267 1 18 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.612 -3.481 18340
1268 1 18 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.232 0.118 18340
1269 1 18 . 1 1 13 13 PHE H H 142 8.301 8.301 8.103 0.198 18340
1270 1 18 . 1 1 14 14 LEU N N 143 122.800 122.800 121.101 1.699 18340
1271 1 18 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.182 0.060 18340
1272 1 18 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.830 -1.737 18340
1273 1 18 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.684 -0.660 18340
1274 1 18 . 1 1 14 14 LEU H H 143 8.270 8.270 7.868 0.402 18340
1275 1 18 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.492 -0.053 18340
1276 1 18 . 1 1 15 15 TRP H H 144 8.043 8.043 8.911 -0.868 18340
1277 1 18 . 1 1 16 16 GLN N N 145 120.900 120.900 117.007 3.893 18340
1278 1 18 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.225 -0.135 18340
1279 1 18 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.850 -1.359 18340
1280 1 18 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.932 0.328 18340
1281 1 18 . 1 1 16 16 GLN H H 145 8.037 8.037 8.391 -0.354 18340
1282 1 18 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.469 -0.389 18340
1283 1 18 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340
1284 1 18 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.460 -0.380 18340
1285 1 18 . 1 1 18 18 ARG H H 147 8.069 8.069 7.713 0.356 18340
1286 1 18 . 1 1 19 19 GLN N N 148 121.600 121.600 119.168 2.432 18340
1287 1 18 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.146 -0.071 18340
1288 1 18 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.718 -2.757 18340
1289 1 18 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.126 2.184 18340
1290 1 18 . 1 1 19 19 GLN H H 148 8.370 8.370 8.520 -0.150 18340
1291 1 18 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.925 0.136 18340
1292 1 18 . 1 1 20 20 ARG H H 149 8.195 8.195 8.081 0.114 18340
1293 1 18 . 1 1 21 21 ALA N N 150 126.000 126.000 119.583 6.417 18340
1294 1 18 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.770 0.486 18340
1295 1 18 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.891 -1.581 18340
1296 1 18 . 1 1 21 21 ALA H H 150 8.380 8.380 8.362 0.018 18340
1297 1 19 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.090 -0.006 18340
1298 1 19 . 1 1 2 2 GLU H H 131 8.553 8.553 8.431 0.122 18340
1299 1 19 . 1 1 3 3 ALA N N 132 123.300 123.300 121.682 1.618 18340
1300 1 19 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.973 0.187 18340
1301 1 19 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.094 -1.404 18340
1302 1 19 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.536 -0.036 18340
1303 1 19 . 1 1 3 3 ALA H H 132 8.601 8.601 7.457 1.144 18340
1304 1 19 . 1 1 4 4 LEU N N 133 120.400 120.400 119.208 1.192 18340
1305 1 19 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.603 0.610 18340
1306 1 19 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.668 -1.718 18340
1307 1 19 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.395 1.625 18340
1308 1 19 . 1 1 4 4 LEU H H 133 7.984 7.984 7.511 0.473 18340
1309 1 19 . 1 1 5 5 LYS N N 134 120.700 120.700 118.932 1.768 18340
1310 1 19 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.981 0.159 18340
1311 1 19 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.496 -1.706 18340
1312 1 19 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.297 0.393 18340
1313 1 19 . 1 1 5 5 LYS H H 134 7.988 7.988 7.411 0.577 18340
1314 1 19 . 1 1 6 6 LYS N N 135 120.900 120.900 122.527 -1.627 18340
1315 1 19 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.912 0.210 18340
1316 1 19 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.093 -2.455 18340
1317 1 19 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.945 0.915 18340
1318 1 19 . 1 1 6 6 LYS H H 135 8.405 8.405 7.739 0.666 18340
1319 1 19 . 1 1 7 7 ALA N N 136 123.900 123.900 124.197 -0.297 18340
1320 1 19 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.096 2.088 18340
1321 1 19 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.959 -1.749 18340
1322 1 19 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.450 0.320 18340
1323 1 19 . 1 1 7 7 ALA H H 136 8.085 8.085 7.642 0.443 18340
1324 1 19 . 1 1 8 8 LEU N N 137 120.600 120.600 119.067 1.533 18340
1325 1 19 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.815 0.429 18340
1326 1 19 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.687 -2.740 18340
1327 1 19 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.152 1.086 18340
1328 1 19 . 1 1 8 8 LEU H H 137 8.191 8.191 7.571 0.620 18340
1329 1 19 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.103 0.063 18340
1330 1 19 . 1 1 9 9 ARG H H 138 8.099 8.099 7.528 0.571 18340
1331 1 19 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.391 -0.188 18340
1332 1 19 . 1 1 10 10 ARG H H 139 8.163 8.163 8.011 0.152 18340
1333 1 19 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.551 -0.048 18340
1334 1 19 . 1 1 11 11 HIS H H 140 8.447 8.447 7.636 0.811 18340
1335 1 19 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.015 0.152 18340
1336 1 19 . 1 1 12 12 ARG H H 141 8.320 8.320 7.916 0.404 18340
1337 1 19 . 1 1 13 13 PHE N N 142 120.300 120.300 118.808 1.492 18340
1338 1 19 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.388 0.129 18340
1339 1 19 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.607 -3.476 18340
1340 1 19 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.229 0.121 18340
1341 1 19 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340
1342 1 19 . 1 1 14 14 LEU N N 143 122.800 122.800 120.957 1.843 18340
1343 1 19 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.185 0.057 18340
1344 1 19 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.920 -1.827 18340
1345 1 19 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.671 -0.647 18340
1346 1 19 . 1 1 14 14 LEU H H 143 8.270 8.270 7.889 0.381 18340
1347 1 19 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.529 -0.090 18340
1348 1 19 . 1 1 15 15 TRP H H 144 8.043 8.043 8.920 -0.877 18340
1349 1 19 . 1 1 16 16 GLN N N 145 120.900 120.900 117.027 3.873 18340
1350 1 19 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340
1351 1 19 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.860 -1.369 18340
1352 1 19 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.936 0.324 18340
1353 1 19 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340
1354 1 19 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340
1355 1 19 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340
1356 1 19 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.472 -0.392 18340
1357 1 19 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340
1358 1 19 . 1 1 19 19 GLN N N 148 121.600 121.600 119.070 2.530 18340
1359 1 19 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.175 -0.100 18340
1360 1 19 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.788 -2.827 18340
1361 1 19 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.127 2.183 18340
1362 1 19 . 1 1 19 19 GLN H H 148 8.370 8.370 8.568 -0.198 18340
1363 1 19 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.959 0.102 18340
1364 1 19 . 1 1 20 20 ARG H H 149 8.195 8.195 8.099 0.096 18340
1365 1 19 . 1 1 21 21 ALA N N 150 126.000 126.000 119.664 6.336 18340
1366 1 19 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.799 0.457 18340
1367 1 19 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.910 -1.600 18340
1368 1 19 . 1 1 21 21 ALA H H 150 8.380 8.380 8.393 -0.013 18340
1369 1 20 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.079 0.005 18340
1370 1 20 . 1 1 2 2 GLU H H 131 8.553 8.553 8.397 0.156 18340
1371 1 20 . 1 1 3 3 ALA N N 132 123.300 123.300 121.803 1.497 18340
1372 1 20 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.921 0.239 18340
1373 1 20 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.941 -1.251 18340
1374 1 20 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.406 0.094 18340
1375 1 20 . 1 1 3 3 ALA H H 132 8.601 8.601 7.436 1.165 18340
1376 1 20 . 1 1 4 4 LEU N N 133 120.400 120.400 119.341 1.059 18340
1377 1 20 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.636 0.577 18340
1378 1 20 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.589 -1.639 18340
1379 1 20 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.456 1.564 18340
1380 1 20 . 1 1 4 4 LEU H H 133 7.984 7.984 7.454 0.530 18340
1381 1 20 . 1 1 5 5 LYS N N 134 120.700 120.700 118.986 1.714 18340
1382 1 20 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.103 0.037 18340
1383 1 20 . 1 1 5 5 LYS CA C 134 57.790 57.790 58.447 -0.657 18340
1384 1 20 . 1 1 5 5 LYS CB C 134 32.690 32.690 31.805 0.885 18340
1385 1 20 . 1 1 5 5 LYS H H 134 7.988 7.988 7.487 0.501 18340
1386 1 20 . 1 1 6 6 LYS N N 135 120.900 120.900 123.078 -2.178 18340
1387 1 20 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.898 0.224 18340
1388 1 20 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.066 -2.428 18340
1389 1 20 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.957 0.902 18340
1390 1 20 . 1 1 6 6 LYS H H 135 8.405 8.405 7.785 0.620 18340
1391 1 20 . 1 1 7 7 ALA N N 136 123.900 123.900 123.933 -0.033 18340
1392 1 20 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.153 2.031 18340
1393 1 20 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.954 -1.744 18340
1394 1 20 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.489 0.281 18340
1395 1 20 . 1 1 7 7 ALA H H 136 8.085 8.085 7.620 0.465 18340
1396 1 20 . 1 1 8 8 LEU N N 137 120.600 120.600 120.334 0.266 18340
1397 1 20 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.883 0.361 18340
1398 1 20 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.334 -2.387 18340
1399 1 20 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.077 1.161 18340
1400 1 20 . 1 1 8 8 LEU H H 137 8.191 8.191 7.545 0.646 18340
1401 1 20 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.082 0.084 18340
1402 1 20 . 1 1 9 9 ARG H H 138 8.099 8.099 7.555 0.544 18340
1403 1 20 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.391 -0.188 18340
1404 1 20 . 1 1 10 10 ARG H H 139 8.163 8.163 8.028 0.135 18340
1405 1 20 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.552 -0.049 18340
1406 1 20 . 1 1 11 11 HIS H H 140 8.447 8.447 7.636 0.811 18340
1407 1 20 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340
1408 1 20 . 1 1 12 12 ARG H H 141 8.320 8.320 7.913 0.407 18340
1409 1 20 . 1 1 13 13 PHE N N 142 120.300 120.300 118.810 1.490 18340
1410 1 20 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340
1411 1 20 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.628 -3.497 18340
1412 1 20 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.232 0.118 18340
1413 1 20 . 1 1 13 13 PHE H H 142 8.301 8.301 8.121 0.180 18340
1414 1 20 . 1 1 14 14 LEU N N 143 122.800 122.800 120.941 1.859 18340
1415 1 20 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340
1416 1 20 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.919 -1.826 18340
1417 1 20 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340
1418 1 20 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340
1419 1 20 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.528 -0.089 18340
1420 1 20 . 1 1 15 15 TRP H H 144 8.043 8.043 8.917 -0.874 18340
1421 1 20 . 1 1 16 16 GLN N N 145 120.900 120.900 117.030 3.870 18340
1422 1 20 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340
1423 1 20 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.867 -1.376 18340
1424 1 20 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.939 0.321 18340
1425 1 20 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340
1426 1 20 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.481 -0.401 18340
1427 1 20 . 1 1 17 17 ARG H H 146 8.069 8.069 7.792 0.278 18340
1428 1 20 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.478 -0.398 18340
1429 1 20 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340
1430 1 20 . 1 1 19 19 GLN N N 148 121.600 121.600 119.073 2.527 18340
1431 1 20 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.180 -0.105 18340
1432 1 20 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.790 -2.829 18340
1433 1 20 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.133 2.178 18340
1434 1 20 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340
1435 1 20 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.960 0.101 18340
1436 1 20 . 1 1 20 20 ARG H H 149 8.195 8.195 8.128 0.067 18340
1437 1 20 . 1 1 21 21 ALA N N 150 126.000 126.000 119.604 6.396 18340
1438 1 20 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.797 0.459 18340
1439 1 20 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.926 -1.616 18340
1440 1 20 . 1 1 21 21 ALA H H 150 8.380 8.380 8.396 -0.016 18340
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 11 2.687 -1.757 2.132 18340
2 1 1 "Average Difference" HA 20 0.540 -0.171 0.525 18340
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18340
4 1 1 "Average Difference" CA 11 2.199 2.086 0.729 18340
5 1 1 "Average Difference" CB 10 0.988 -0.615 0.814 18340
6 1 1 "Average Difference" HN 20 0.516 -0.284 0.442 18340
7 1 2 "Average Difference" N 11 2.718 -2.024 1.903 18340
8 1 2 "Average Difference" HA 20 0.585 -0.200 0.564 18340
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18340
10 1 2 "Average Difference" CA 11 2.218 2.072 0.831 18340
11 1 2 "Average Difference" CB 10 0.884 -0.442 0.807 18340
12 1 2 "Average Difference" HN 20 0.556 -0.332 0.457 18340
13 1 3 "Average Difference" N 11 2.617 -1.647 2.133 18340
14 1 3 "Average Difference" HA 20 0.530 -0.168 0.515 18340
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18340
16 1 3 "Average Difference" CA 11 2.149 2.043 0.697 18340
17 1 3 "Average Difference" CB 10 0.987 -0.539 0.872 18340
18 1 3 "Average Difference" HN 20 0.533 -0.303 0.449 18340
19 1 4 "Average Difference" N 11 2.680 -1.818 2.066 18340
20 1 4 "Average Difference" HA 20 0.541 -0.177 0.525 18340
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18340
22 1 4 "Average Difference" CA 11 2.258 2.146 0.739 18340
23 1 4 "Average Difference" CB 10 1.016 -0.626 0.844 18340
24 1 4 "Average Difference" HN 20 0.509 -0.292 0.427 18340
25 1 5 "Average Difference" N 11 2.766 -1.784 2.216 18340
26 1 5 "Average Difference" HA 20 0.558 -0.175 0.544 18340
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18340
28 1 5 "Average Difference" CA 11 2.260 2.153 0.723 18340
29 1 5 "Average Difference" CB 10 0.950 -0.607 0.771 18340
30 1 5 "Average Difference" HN 20 0.540 -0.281 0.473 18340
31 1 6 "Average Difference" N 11 2.927 -2.038 2.203 18340
32 1 6 "Average Difference" HA 20 0.545 -0.182 0.527 18340
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18340
34 1 6 "Average Difference" CA 11 2.220 2.109 0.725 18340
35 1 6 "Average Difference" CB 10 1.117 -0.712 0.906 18340
36 1 6 "Average Difference" HN 20 0.516 -0.290 0.437 18340
37 1 7 "Average Difference" N 11 2.796 -2.256 1.733 18340
38 1 7 "Average Difference" HA 20 0.582 -0.198 0.561 18340
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18340
40 1 7 "Average Difference" CA 11 2.096 1.996 0.670 18340
41 1 7 "Average Difference" CB 10 1.019 -0.675 0.805 18340
42 1 7 "Average Difference" HN 20 0.486 -0.270 0.415 18340
43 1 8 "Average Difference" N 11 2.785 -2.159 1.845 18340
44 1 8 "Average Difference" HA 20 0.587 -0.197 0.567 18340
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18340
46 1 8 "Average Difference" CA 11 2.080 1.965 0.717 18340
47 1 8 "Average Difference" CB 10 1.001 -0.611 0.836 18340
48 1 8 "Average Difference" HN 20 0.541 -0.317 0.450 18340
49 1 9 "Average Difference" N 11 2.864 -2.018 2.131 18340
50 1 9 "Average Difference" HA 20 0.562 -0.164 0.551 18340
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18340
52 1 9 "Average Difference" CA 11 2.130 2.030 0.675 18340
53 1 9 "Average Difference" CB 10 0.945 -0.556 0.805 18340
54 1 9 "Average Difference" HN 20 0.528 -0.298 0.448 18340
55 1 10 "Average Difference" N 11 2.701 -1.708 2.195 18340
56 1 10 "Average Difference" HA 20 0.523 -0.153 0.513 18340
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18340
58 1 10 "Average Difference" CA 11 2.240 2.138 0.701 18340
59 1 10 "Average Difference" CB 10 0.961 -0.576 0.811 18340
60 1 10 "Average Difference" HN 20 0.521 -0.272 0.456 18340
61 1 11 "Average Difference" N 11 2.681 -1.717 2.159 18340
62 1 11 "Average Difference" HA 20 0.537 -0.168 0.523 18340
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18340
64 1 11 "Average Difference" CA 11 2.300 2.187 0.748 18340
65 1 11 "Average Difference" CB 10 0.974 -0.570 0.833 18340
66 1 11 "Average Difference" HN 20 0.515 -0.253 0.461 18340
67 1 12 "Average Difference" N 11 2.638 -1.568 2.224 18340
68 1 12 "Average Difference" HA 20 0.227 -0.038 0.230 18340
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18340
70 1 12 "Average Difference" CA 11 2.220 2.131 0.652 18340
71 1 12 "Average Difference" CB 10 0.975 -0.554 0.845 18340
72 1 12 "Average Difference" HN 20 0.466 -0.196 0.434 18340
73 1 13 "Average Difference" N 11 2.793 -1.973 2.073 18340
74 1 13 "Average Difference" HA 20 0.532 -0.168 0.518 18340
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18340
76 1 13 "Average Difference" CA 11 2.277 2.167 0.734 18340
77 1 13 "Average Difference" CB 10 0.877 -0.506 0.755 18340
78 1 13 "Average Difference" HN 20 0.531 -0.303 0.448 18340
79 1 14 "Average Difference" N 11 2.694 -1.731 2.165 18340
80 1 14 "Average Difference" HA 20 0.254 -0.049 0.255 18340
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18340
82 1 14 "Average Difference" CA 11 2.398 2.286 0.758 18340
83 1 14 "Average Difference" CB 10 1.016 -0.507 0.928 18340
84 1 14 "Average Difference" HN 20 0.477 -0.198 0.445 18340
85 1 15 "Average Difference" N 11 2.731 -2.156 1.759 18340
86 1 15 "Average Difference" HA 20 0.586 -0.174 0.574 18340
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18340
88 1 15 "Average Difference" CA 11 2.107 1.981 0.753 18340
89 1 15 "Average Difference" CB 10 1.003 -0.570 0.870 18340
90 1 15 "Average Difference" HN 20 0.539 -0.308 0.453 18340
91 1 16 "Average Difference" N 11 2.717 -1.736 2.192 18340
92 1 16 "Average Difference" HA 20 0.246 -0.061 0.244 18340
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18340
94 1 16 "Average Difference" CA 11 2.336 2.234 0.714 18340
95 1 16 "Average Difference" CB 10 0.991 -0.570 0.855 18340
96 1 16 "Average Difference" HN 20 0.485 -0.203 0.452 18340
97 1 17 "Average Difference" N 11 2.690 -1.853 2.045 18340
98 1 17 "Average Difference" HA 20 0.562 -0.196 0.541 18340
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18340
100 1 17 "Average Difference" CA 11 2.240 2.117 0.769 18340
101 1 17 "Average Difference" CB 10 1.019 -0.634 0.841 18340
102 1 17 "Average Difference" HN 20 0.539 -0.326 0.441 18340
103 1 18 "Average Difference" N 11 2.751 -1.918 2.069 18340
104 1 18 "Average Difference" HA 20 0.550 -0.187 0.531 18340
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18340
106 1 18 "Average Difference" CA 11 2.115 1.985 0.765 18340
107 1 18 "Average Difference" CB 10 1.065 -0.698 0.847 18340
108 1 18 "Average Difference" HN 20 0.531 -0.285 0.461 18340
109 1 19 "Average Difference" N 11 2.687 -1.842 2.052 18340
110 1 19 "Average Difference" HA 20 0.533 -0.164 0.520 18340
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18340
112 1 19 "Average Difference" CA 11 2.180 2.079 0.687 18340
113 1 19 "Average Difference" CB 10 1.011 -0.628 0.835 18340
114 1 19 "Average Difference" HN 20 0.519 -0.289 0.442 18340
115 1 20 "Average Difference" N 11 2.681 -1.679 2.192 18340
116 1 20 "Average Difference" HA 20 0.518 -0.154 0.508 18340
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18340
118 1 20 "Average Difference" CA 11 2.076 1.932 0.796 18340
119 1 20 "Average Difference" CB 10 1.037 -0.686 0.820 18340
120 1 20 "Average Difference" HN 20 0.518 -0.288 0.442 18340
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 18340
_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 2 2 GLU HA H 131 4.084 4.084 4.072 0.012 18340
2 1 . 1 1 2 2 GLU H H 131 8.553 8.553 8.384 0.169 18340
3 1 . 1 1 3 3 ALA N N 132 123.300 123.300 121.361 1.939 18340
4 1 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.995 0.165 18340
5 1 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.018 -1.328 18340
6 1 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.553 -0.053 18340
7 1 . 1 1 3 3 ALA H H 132 8.601 8.601 7.447 1.154 18340
8 1 . 1 1 4 4 LEU N N 133 120.400 120.400 119.200 1.200 18340
9 1 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.606 0.607 18340
10 1 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.888 -1.938 18340
11 1 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.554 1.466 18340
12 1 . 1 1 4 4 LEU H H 133 7.984 7.984 7.471 0.513 18340
13 1 . 1 1 5 5 LYS N N 134 120.700 120.700 118.840 1.860 18340
14 1 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.968 0.172 18340
15 1 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.513 -1.723 18340
16 1 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.304 0.386 18340
17 1 . 1 1 5 5 LYS H H 134 7.988 7.988 7.468 0.520 18340
18 1 . 1 1 6 6 LYS N N 135 120.900 120.900 121.899 -0.999 18340
19 1 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340
20 1 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.254 -2.616 18340
21 1 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.015 0.845 18340
22 1 . 1 1 6 6 LYS H H 135 8.405 8.405 7.793 0.612 18340
23 1 . 1 1 7 7 ALA N N 136 123.900 123.900 124.270 -0.370 18340
24 1 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.328 1.856 18340
25 1 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.019 -1.809 18340
26 1 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.520 0.250 18340
27 1 . 1 1 7 7 ALA H H 136 8.085 8.085 7.680 0.405 18340
28 1 . 1 1 8 8 LEU N N 137 120.600 120.600 119.786 0.814 18340
29 1 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.818 0.426 18340
30 1 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.450 -2.503 18340
31 1 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.176 1.062 18340
32 1 . 1 1 8 8 LEU H H 137 8.191 8.191 7.585 0.606 18340
33 1 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.067 0.099 18340
34 1 . 1 1 9 9 ARG H H 138 8.099 8.099 7.552 0.547 18340
35 1 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340
36 1 . 1 1 10 10 ARG H H 139 8.163 8.163 8.070 0.093 18340
37 1 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.531 -0.028 18340
38 1 . 1 1 11 11 HIS H H 140 8.447 8.447 7.620 0.827 18340
39 1 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.025 0.143 18340
40 1 . 1 1 12 12 ARG H H 141 8.320 8.320 7.998 0.322 18340
41 1 . 1 1 13 13 PHE N N 142 120.300 120.300 118.810 1.490 18340
42 1 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.377 0.140 18340
43 1 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.603 -3.472 18340
44 1 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.204 0.146 18340
45 1 . 1 1 13 13 PHE H H 142 8.301 8.301 8.112 0.189 18340
46 1 . 1 1 14 14 LEU N N 143 122.800 122.800 120.956 1.844 18340
47 1 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.191 0.051 18340
48 1 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.926 -1.833 18340
49 1 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.682 -0.658 18340
50 1 . 1 1 14 14 LEU H H 143 8.270 8.270 7.894 0.376 18340
51 1 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.530 -0.090 18340
52 1 . 1 1 15 15 TRP H H 144 8.043 8.043 8.924 -0.881 18340
53 1 . 1 1 16 16 GLN N N 145 120.900 120.900 116.935 3.965 18340
54 1 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.230 -0.140 18340
55 1 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.885 -1.394 18340
56 1 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340
57 1 . 1 1 16 16 GLN H H 145 8.037 8.037 8.397 -0.360 18340
58 1 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340
59 1 . 1 1 17 17 ARG H H 146 8.069 8.069 7.787 0.282 18340
60 1 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.498 -0.418 18340
61 1 . 1 1 18 18 ARG H H 147 8.069 8.069 7.747 0.322 18340
62 1 . 1 1 19 19 GLN N N 148 121.600 121.600 119.189 2.411 18340
63 1 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.180 -0.105 18340
64 1 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.776 -2.815 18340
65 1 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.141 2.169 18340
66 1 . 1 1 19 19 GLN H H 148 8.370 8.370 8.576 -0.206 18340
67 1 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.933 0.128 18340
68 1 . 1 1 20 20 ARG H H 149 8.195 8.195 8.096 0.099 18340
69 1 . 1 1 21 21 ALA N N 150 126.000 126.000 119.593 6.407 18340
70 1 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.772 0.484 18340
71 1 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.890 -1.580 18340
72 1 . 1 1 21 21 ALA H H 150 8.380 8.380 8.382 -0.002 18340
stop_
save_