data_18822
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18822
_Entry.PDB_ID 2M0S
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 18822
_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 ILE HA H 2 3.987 3.987 4.018 -0.031 18822
2 1 1 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.899 0.671 18822
3 1 1 . 1 1 2 2 ILE H H 2 8.372 8.372 8.424 -0.052 18822
4 1 1 . 1 1 3 3 GLY N N 3 107.813 107.813 105.531 2.282 18822
5 1 1 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.940 1.880 18822
6 1 1 . 1 1 3 3 GLY H H 3 8.410 8.410 7.709 0.701 18822
7 1 1 . 1 1 4 4 MET N N 4 120.990 120.990 122.314 -1.324 18822
8 1 1 . 1 1 4 4 MET HA H 4 4.237 4.237 4.373 -0.136 18822
9 1 1 . 1 1 4 4 MET CA C 4 57.960 57.960 57.367 0.592 18822
10 1 1 . 1 1 4 4 MET H H 4 8.039 8.039 8.058 -0.019 18822
11 1 1 . 1 1 5 5 GLY N N 5 106.894 106.894 105.212 1.682 18822
12 1 1 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.097 1.593 18822
13 1 1 . 1 1 5 5 GLY H H 5 8.199 8.199 8.564 -0.365 18822
14 1 1 . 1 1 6 6 VAL N N 6 115.379 115.379 118.803 -3.424 18822
15 1 1 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.103 -0.349 18822
16 1 1 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.813 1.657 18822
17 1 1 . 1 1 6 6 VAL H H 6 8.268 8.268 7.347 0.921 18822
18 1 1 . 1 1 7 7 THR N N 7 115.692 115.692 116.607 -0.915 18822
19 1 1 . 1 1 7 7 THR HA H 7 3.964 3.964 4.101 -0.137 18822
20 1 1 . 1 1 7 7 THR CA C 7 68.370 68.370 65.383 2.986 18822
21 1 1 . 1 1 7 7 THR H H 7 7.706 7.706 7.730 -0.024 18822
22 1 1 . 1 1 8 8 TYR N N 8 120.854 120.854 120.954 -0.100 18822
23 1 1 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.300 -0.091 18822
24 1 1 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.785 0.884 18822
25 1 1 . 1 1 8 8 TYR H H 8 8.100 8.100 7.851 0.249 18822
26 1 1 . 1 1 9 9 LEU N N 9 117.686 117.686 115.684 2.002 18822
27 1 1 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.401 -0.436 18822
28 1 1 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.775 3.315 18822
29 1 1 . 1 1 9 9 LEU H H 9 8.006 8.006 7.535 0.471 18822
30 1 1 . 1 1 10 10 ALA N N 10 121.286 121.286 123.121 -1.835 18822
31 1 1 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.365 -0.293 18822
32 1 1 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.098 0.362 18822
33 1 1 . 1 1 10 10 ALA H H 10 8.320 8.320 7.980 0.340 18822
34 1 1 . 1 1 11 11 LEU N N 11 119.311 119.311 118.940 0.371 18822
35 1 1 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.197 -0.144 18822
36 1 1 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.389 4.101 18822
37 1 1 . 1 1 11 11 LEU H H 11 8.158 8.158 7.556 0.602 18822
38 1 1 . 1 1 12 12 LEU N N 12 119.405 119.405 117.844 1.561 18822
39 1 1 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.125 -0.146 18822
40 1 1 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.275 1.815 18822
41 1 1 . 1 1 12 12 LEU H H 12 8.211 8.211 7.669 0.542 18822
42 1 1 . 1 1 13 13 ALA N N 13 120.690 120.690 119.010 1.680 18822
43 1 1 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.340 -0.344 18822
44 1 1 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.494 1.566 18822
45 1 1 . 1 1 13 13 ALA H H 13 8.353 8.353 7.646 0.707 18822
46 1 1 . 1 1 14 14 ALA N N 14 119.292 119.292 122.008 -2.716 18822
47 1 1 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.046 -0.039 18822
48 1 1 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.349 0.721 18822
49 1 1 . 1 1 14 14 ALA H H 14 8.140 8.140 7.692 0.448 18822
50 1 1 . 1 1 15 15 PHE N N 15 119.448 119.448 118.200 1.248 18822
51 1 1 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.322 0.030 18822
52 1 1 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.188 -0.118 18822
53 1 1 . 1 1 15 15 PHE H H 15 8.272 8.272 7.992 0.280 18822
54 1 1 . 1 1 16 16 LYS N N 16 116.153 116.153 120.889 -4.736 18822
55 1 1 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.219 0.043 18822
56 1 1 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.380 -1.490 18822
57 1 1 . 1 1 16 16 LYS H H 16 7.959 7.959 8.117 -0.158 18822
58 1 1 . 1 1 17 17 VAL N N 17 116.676 116.676 116.324 0.352 18822
59 1 1 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.373 -0.372 18822
60 1 1 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.012 2.528 18822
61 1 1 . 1 1 17 17 VAL H H 17 7.991 7.991 8.138 -0.147 18822
62 1 1 . 1 1 18 18 ARG N N 18 120.422 120.422 122.720 -2.298 18822
63 1 1 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.305 0.109 18822
64 1 1 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.855 -0.825 18822
65 1 1 . 1 1 18 18 ARG H H 18 8.075 8.075 8.047 0.028 18822
66 1 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.585 -0.215 18822
67 1 1 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.054 0.186 18822
68 1 1 . 1 1 20 20 THR N N 20 111.614 111.614 115.409 -3.795 18822
69 1 1 . 1 1 20 20 THR HA H 20 4.254 4.254 4.093 0.161 18822
70 1 1 . 1 1 20 20 THR CA C 20 63.960 63.960 66.424 -2.464 18822
71 1 1 . 1 1 20 20 THR H H 20 7.520 7.520 8.067 -0.547 18822
72 1 1 . 1 1 21 21 PHE N N 21 121.158 121.158 121.522 -0.364 18822
73 1 1 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.236 0.145 18822
74 1 1 . 1 1 21 21 PHE CA C 21 59.890 59.890 60.823 -0.933 18822
75 1 1 . 1 1 21 21 PHE H H 21 8.065 8.065 7.684 0.381 18822
76 1 1 . 1 1 22 22 ALA N N 22 120.586 120.586 119.340 1.246 18822
77 1 1 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.211 -0.184 18822
78 1 1 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.010 0.621 18822
79 1 1 . 1 1 22 22 ALA H H 22 8.161 8.161 8.209 -0.048 18822
80 1 1 . 1 1 23 23 ALA N N 23 118.530 118.530 121.914 -3.384 18822
81 1 1 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.213 -0.177 18822
82 1 1 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.496 0.224 18822
83 1 1 . 1 1 23 23 ALA H H 23 7.955 7.955 8.435 -0.480 18822
84 1 1 . 1 1 24 24 GLY N N 24 103.400 103.400 104.713 -1.313 18822
85 1 1 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.548 2.102 18822
86 1 1 . 1 1 24 24 GLY H H 24 7.990 7.990 7.760 0.230 18822
87 1 1 . 1 1 25 25 LEU N N 25 118.196 118.196 120.300 -2.104 18822
88 1 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.294 -0.140 18822
89 1 1 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.563 -0.013 18822
90 1 1 . 1 1 25 25 LEU H H 25 7.650 7.650 7.151 0.499 18822
91 1 1 . 1 1 26 26 LEU N N 26 116.901 116.901 117.310 -0.409 18822
92 1 1 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.261 -0.005 18822
93 1 1 . 1 1 26 26 LEU CA C 26 55.730 55.730 54.994 0.736 18822
94 1 1 . 1 1 26 26 LEU H H 26 7.638 7.638 7.608 0.030 18822
95 1 1 . 1 1 27 27 LEU N N 27 117.617 117.617 120.319 -2.702 18822
96 1 1 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.296 0.042 18822
97 1 1 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.295 -0.345 18822
98 1 1 . 1 1 27 27 LEU H H 27 7.673 7.673 7.522 0.151 18822
99 1 2 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.957 0.030 18822
100 1 2 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.974 0.596 18822
101 1 2 . 1 1 2 2 ILE H H 2 8.372 8.372 8.132 0.240 18822
102 1 2 . 1 1 3 3 GLY N N 3 107.813 107.813 105.520 2.293 18822
103 1 2 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.960 1.860 18822
104 1 2 . 1 1 3 3 GLY H H 3 8.410 8.410 7.777 0.633 18822
105 1 2 . 1 1 4 4 MET N N 4 120.990 120.990 122.031 -1.041 18822
106 1 2 . 1 1 4 4 MET HA H 4 4.237 4.237 4.491 -0.254 18822
107 1 2 . 1 1 4 4 MET CA C 4 57.960 57.960 56.547 1.413 18822
108 1 2 . 1 1 4 4 MET H H 4 8.039 8.039 8.156 -0.117 18822
109 1 2 . 1 1 5 5 GLY N N 5 106.894 106.894 105.916 0.978 18822
110 1 2 . 1 1 5 5 GLY CA C 5 47.690 47.690 45.951 1.739 18822
111 1 2 . 1 1 5 5 GLY H H 5 8.199 8.199 8.372 -0.173 18822
112 1 2 . 1 1 6 6 VAL N N 6 115.379 115.379 119.808 -4.429 18822
113 1 2 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.016 -0.262 18822
114 1 2 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.042 2.428 18822
115 1 2 . 1 1 6 6 VAL H H 6 8.268 8.268 7.405 0.863 18822
116 1 2 . 1 1 7 7 THR N N 7 115.692 115.692 115.712 -0.020 18822
117 1 2 . 1 1 7 7 THR HA H 7 3.964 3.964 4.078 -0.114 18822
118 1 2 . 1 1 7 7 THR CA C 7 68.370 68.370 65.884 2.486 18822
119 1 2 . 1 1 7 7 THR H H 7 7.706 7.706 7.837 -0.131 18822
120 1 2 . 1 1 8 8 TYR N N 8 120.854 120.854 121.315 -0.461 18822
121 1 2 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.327 -0.118 18822
122 1 2 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.893 0.777 18822
123 1 2 . 1 1 8 8 TYR H H 8 8.100 8.100 7.819 0.281 18822
124 1 2 . 1 1 9 9 LEU N N 9 117.686 117.686 117.120 0.566 18822
125 1 2 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.426 -0.461 18822
126 1 2 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.195 2.895 18822
127 1 2 . 1 1 9 9 LEU H H 9 8.006 8.006 7.599 0.407 18822
128 1 2 . 1 1 10 10 ALA N N 10 121.286 121.286 123.105 -1.819 18822
129 1 2 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.360 -0.288 18822
130 1 2 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.100 0.360 18822
131 1 2 . 1 1 10 10 ALA H H 10 8.320 8.320 7.997 0.323 18822
132 1 2 . 1 1 11 11 LEU N N 11 119.311 119.311 119.089 0.222 18822
133 1 2 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.345 -0.292 18822
134 1 2 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.580 3.910 18822
135 1 2 . 1 1 11 11 LEU H H 11 8.158 8.158 7.468 0.690 18822
136 1 2 . 1 1 12 12 LEU N N 12 119.405 119.405 118.593 0.812 18822
137 1 2 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.151 -0.172 18822
138 1 2 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.089 2.002 18822
139 1 2 . 1 1 12 12 LEU H H 12 8.211 8.211 7.837 0.374 18822
140 1 2 . 1 1 13 13 ALA N N 13 120.690 120.690 121.640 -0.950 18822
141 1 2 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.359 -0.363 18822
142 1 2 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.520 1.540 18822
143 1 2 . 1 1 13 13 ALA H H 13 8.353 8.353 7.858 0.495 18822
144 1 2 . 1 1 14 14 ALA N N 14 119.292 119.292 121.996 -2.704 18822
145 1 2 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.041 -0.034 18822
146 1 2 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.341 0.729 18822
147 1 2 . 1 1 14 14 ALA H H 14 8.140 8.140 7.687 0.453 18822
148 1 2 . 1 1 15 15 PHE N N 15 119.448 119.448 118.199 1.249 18822
149 1 2 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.312 0.040 18822
150 1 2 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.147 -0.077 18822
151 1 2 . 1 1 15 15 PHE H H 15 8.272 8.272 7.977 0.295 18822
152 1 2 . 1 1 16 16 LYS N N 16 116.153 116.153 120.798 -4.645 18822
153 1 2 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.276 -0.014 18822
154 1 2 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.322 -1.432 18822
155 1 2 . 1 1 16 16 LYS H H 16 7.959 7.959 8.095 -0.136 18822
156 1 2 . 1 1 17 17 VAL N N 17 116.676 116.676 116.715 -0.039 18822
157 1 2 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.274 -0.273 18822
158 1 2 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.949 1.591 18822
159 1 2 . 1 1 17 17 VAL H H 17 7.991 7.991 8.118 -0.127 18822
160 1 2 . 1 1 18 18 ARG N N 18 120.422 120.422 123.035 -2.613 18822
161 1 2 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.842 -0.428 18822
162 1 2 . 1 1 18 18 ARG CA C 18 58.030 58.030 52.888 5.143 18822
163 1 2 . 1 1 18 18 ARG H H 18 8.075 8.075 8.062 0.013 18822
164 1 2 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.607 -0.237 18822
165 1 2 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.240 1.000 18822
166 1 2 . 1 1 20 20 THR N N 20 111.614 111.614 116.409 -4.795 18822
167 1 2 . 1 1 20 20 THR HA H 20 4.254 4.254 3.971 0.283 18822
168 1 2 . 1 1 20 20 THR CA C 20 63.960 63.960 66.692 -2.732 18822
169 1 2 . 1 1 20 20 THR H H 20 7.520 7.520 8.172 -0.652 18822
170 1 2 . 1 1 21 21 PHE N N 21 121.158 121.158 121.383 -0.225 18822
171 1 2 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.126 0.255 18822
172 1 2 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.787 -1.897 18822
173 1 2 . 1 1 21 21 PHE H H 21 8.065 8.065 7.699 0.366 18822
174 1 2 . 1 1 22 22 ALA N N 22 120.586 120.586 120.005 0.581 18822
175 1 2 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.176 -0.149 18822
176 1 2 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.264 0.366 18822
177 1 2 . 1 1 22 22 ALA H H 22 8.161 8.161 7.717 0.444 18822
178 1 2 . 1 1 23 23 ALA N N 23 118.530 118.530 122.689 -4.159 18822
179 1 2 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.170 -0.134 18822
180 1 2 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.579 0.141 18822
181 1 2 . 1 1 23 23 ALA H H 23 7.955 7.955 8.445 -0.490 18822
182 1 2 . 1 1 24 24 GLY N N 24 103.400 103.400 105.338 -1.938 18822
183 1 2 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.090 2.560 18822
184 1 2 . 1 1 24 24 GLY H H 24 7.990 7.990 7.796 0.194 18822
185 1 2 . 1 1 25 25 LEU N N 25 118.196 118.196 117.367 0.829 18822
186 1 2 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.079 0.075 18822
187 1 2 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.368 0.182 18822
188 1 2 . 1 1 25 25 LEU H H 25 7.650 7.650 7.030 0.620 18822
189 1 2 . 1 1 26 26 LEU N N 26 116.901 116.901 120.510 -3.609 18822
190 1 2 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.154 0.102 18822
191 1 2 . 1 1 26 26 LEU CA C 26 55.730 55.730 55.801 -0.071 18822
192 1 2 . 1 1 26 26 LEU H H 26 7.638 7.638 7.650 -0.012 18822
193 1 2 . 1 1 27 27 LEU N N 27 117.617 117.617 123.992 -6.375 18822
194 1 2 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.540 -0.202 18822
195 1 2 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.258 0.692 18822
196 1 2 . 1 1 27 27 LEU H H 27 7.673 7.673 8.054 -0.381 18822
197 1 3 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.979 0.008 18822
198 1 3 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.913 0.657 18822
199 1 3 . 1 1 2 2 ILE H H 2 8.372 8.372 8.375 -0.003 18822
200 1 3 . 1 1 3 3 GLY N N 3 107.813 107.813 105.037 2.776 18822
201 1 3 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.993 1.827 18822
202 1 3 . 1 1 3 3 GLY H H 3 8.410 8.410 7.689 0.721 18822
203 1 3 . 1 1 4 4 MET N N 4 120.990 120.990 121.837 -0.847 18822
204 1 3 . 1 1 4 4 MET HA H 4 4.237 4.237 4.453 -0.216 18822
205 1 3 . 1 1 4 4 MET CA C 4 57.960 57.960 56.921 1.039 18822
206 1 3 . 1 1 4 4 MET H H 4 8.039 8.039 8.148 -0.109 18822
207 1 3 . 1 1 5 5 GLY N N 5 106.894 106.894 105.871 1.023 18822
208 1 3 . 1 1 5 5 GLY CA C 5 47.690 47.690 45.955 1.735 18822
209 1 3 . 1 1 5 5 GLY H H 5 8.199 8.199 8.357 -0.158 18822
210 1 3 . 1 1 6 6 VAL N N 6 115.379 115.379 119.809 -4.430 18822
211 1 3 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.012 -0.258 18822
212 1 3 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.035 2.435 18822
213 1 3 . 1 1 6 6 VAL H H 6 8.268 8.268 7.400 0.868 18822
214 1 3 . 1 1 7 7 THR N N 7 115.692 115.692 115.716 -0.024 18822
215 1 3 . 1 1 7 7 THR HA H 7 3.964 3.964 4.046 -0.082 18822
216 1 3 . 1 1 7 7 THR CA C 7 68.370 68.370 65.871 2.499 18822
217 1 3 . 1 1 7 7 THR H H 7 7.706 7.706 7.825 -0.119 18822
218 1 3 . 1 1 8 8 TYR N N 8 120.854 120.854 121.108 -0.254 18822
219 1 3 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.276 -0.067 18822
220 1 3 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.804 0.866 18822
221 1 3 . 1 1 8 8 TYR H H 8 8.100 8.100 7.776 0.324 18822
222 1 3 . 1 1 9 9 LEU N N 9 117.686 117.686 116.015 1.671 18822
223 1 3 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.412 -0.447 18822
224 1 3 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.836 3.254 18822
225 1 3 . 1 1 9 9 LEU H H 9 8.006 8.006 7.531 0.475 18822
226 1 3 . 1 1 10 10 ALA N N 10 121.286 121.286 123.114 -1.828 18822
227 1 3 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.364 -0.292 18822
228 1 3 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.115 0.345 18822
229 1 3 . 1 1 10 10 ALA H H 10 8.320 8.320 7.978 0.342 18822
230 1 3 . 1 1 11 11 LEU N N 11 119.311 119.311 119.047 0.264 18822
231 1 3 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.133 -0.080 18822
232 1 3 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.448 4.042 18822
233 1 3 . 1 1 11 11 LEU H H 11 8.158 8.158 7.441 0.717 18822
234 1 3 . 1 1 12 12 LEU N N 12 119.405 119.405 118.271 1.134 18822
235 1 3 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.195 -0.216 18822
236 1 3 . 1 1 12 12 LEU CA C 12 58.090 58.090 55.866 2.224 18822
237 1 3 . 1 1 12 12 LEU H H 12 8.211 8.211 7.726 0.485 18822
238 1 3 . 1 1 13 13 ALA N N 13 120.690 120.690 120.447 0.243 18822
239 1 3 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.305 -0.309 18822
240 1 3 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.817 1.243 18822
241 1 3 . 1 1 13 13 ALA H H 13 8.353 8.353 7.839 0.514 18822
242 1 3 . 1 1 14 14 ALA N N 14 119.292 119.292 122.928 -3.636 18822
243 1 3 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.104 -0.097 18822
244 1 3 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.651 0.419 18822
245 1 3 . 1 1 14 14 ALA H H 14 8.140 8.140 7.708 0.432 18822
246 1 3 . 1 1 15 15 PHE N N 15 119.448 119.448 119.134 0.314 18822
247 1 3 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.237 0.115 18822
248 1 3 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.746 -0.676 18822
249 1 3 . 1 1 15 15 PHE H H 15 8.272 8.272 8.298 -0.026 18822
250 1 3 . 1 1 16 16 LYS N N 16 116.153 116.153 118.540 -2.387 18822
251 1 3 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.060 0.202 18822
252 1 3 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.834 -2.944 18822
253 1 3 . 1 1 16 16 LYS H H 16 7.959 7.959 8.339 -0.380 18822
254 1 3 . 1 1 17 17 VAL N N 17 116.676 116.676 116.615 0.061 18822
255 1 3 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.839 0.162 18822
256 1 3 . 1 1 17 17 VAL CA C 17 63.540 63.540 63.972 -0.432 18822
257 1 3 . 1 1 17 17 VAL H H 17 7.991 7.991 7.364 0.627 18822
258 1 3 . 1 1 18 18 ARG N N 18 120.422 120.422 119.782 0.640 18822
259 1 3 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.301 0.113 18822
260 1 3 . 1 1 18 18 ARG CA C 18 58.030 58.030 60.517 -2.487 18822
261 1 3 . 1 1 18 18 ARG H H 18 8.075 8.075 7.232 0.843 18822
262 1 3 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.459 -0.089 18822
263 1 3 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.013 0.227 18822
264 1 3 . 1 1 20 20 THR N N 20 111.614 111.614 116.590 -4.976 18822
265 1 3 . 1 1 20 20 THR HA H 20 4.254 4.254 3.966 0.288 18822
266 1 3 . 1 1 20 20 THR CA C 20 63.960 63.960 66.668 -2.708 18822
267 1 3 . 1 1 20 20 THR H H 20 7.520 7.520 7.655 -0.135 18822
268 1 3 . 1 1 21 21 PHE N N 21 121.158 121.158 121.391 -0.233 18822
269 1 3 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.163 0.218 18822
270 1 3 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.595 -1.705 18822
271 1 3 . 1 1 21 21 PHE H H 21 8.065 8.065 7.663 0.402 18822
272 1 3 . 1 1 22 22 ALA N N 22 120.586 120.586 119.891 0.695 18822
273 1 3 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.203 -0.176 18822
274 1 3 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.207 0.423 18822
275 1 3 . 1 1 22 22 ALA H H 22 8.161 8.161 7.646 0.515 18822
276 1 3 . 1 1 23 23 ALA N N 23 118.530 118.530 122.499 -3.969 18822
277 1 3 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.174 -0.138 18822
278 1 3 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.552 0.168 18822
279 1 3 . 1 1 23 23 ALA H H 23 7.955 7.955 8.416 -0.461 18822
280 1 3 . 1 1 24 24 GLY N N 24 103.400 103.400 104.898 -1.498 18822
281 1 3 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.404 2.246 18822
282 1 3 . 1 1 24 24 GLY H H 24 7.990 7.990 7.783 0.207 18822
283 1 3 . 1 1 25 25 LEU N N 25 118.196 118.196 119.970 -1.774 18822
284 1 3 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.219 -0.065 18822
285 1 3 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.569 -1.019 18822
286 1 3 . 1 1 25 25 LEU H H 25 7.650 7.650 7.262 0.388 18822
287 1 3 . 1 1 26 26 LEU N N 26 116.901 116.901 118.925 -2.024 18822
288 1 3 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.090 0.166 18822
289 1 3 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.006 -1.276 18822
290 1 3 . 1 1 26 26 LEU H H 26 7.638 7.638 7.517 0.121 18822
291 1 3 . 1 1 27 27 LEU N N 27 117.617 117.617 119.933 -2.316 18822
292 1 3 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.165 0.173 18822
293 1 3 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.027 -1.077 18822
294 1 3 . 1 1 27 27 LEU H H 27 7.673 7.673 8.047 -0.374 18822
295 1 4 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.025 -0.038 18822
296 1 4 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.990 0.580 18822
297 1 4 . 1 1 2 2 ILE H H 2 8.372 8.372 8.511 -0.139 18822
298 1 4 . 1 1 3 3 GLY N N 3 107.813 107.813 105.337 2.476 18822
299 1 4 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.893 1.927 18822
300 1 4 . 1 1 3 3 GLY H H 3 8.410 8.410 7.705 0.705 18822
301 1 4 . 1 1 4 4 MET N N 4 120.990 120.990 121.496 -0.506 18822
302 1 4 . 1 1 4 4 MET HA H 4 4.237 4.237 4.491 -0.254 18822
303 1 4 . 1 1 4 4 MET CA C 4 57.960 57.960 55.067 2.893 18822
304 1 4 . 1 1 4 4 MET H H 4 8.039 8.039 8.398 -0.359 18822
305 1 4 . 1 1 5 5 GLY N N 5 106.894 106.894 106.036 0.858 18822
306 1 4 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.139 1.551 18822
307 1 4 . 1 1 5 5 GLY H H 5 8.199 8.199 8.395 -0.196 18822
308 1 4 . 1 1 6 6 VAL N N 6 115.379 115.379 120.373 -4.994 18822
309 1 4 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.120 -0.366 18822
310 1 4 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.138 2.332 18822
311 1 4 . 1 1 6 6 VAL H H 6 8.268 8.268 7.347 0.921 18822
312 1 4 . 1 1 7 7 THR N N 7 115.692 115.692 116.520 -0.828 18822
313 1 4 . 1 1 7 7 THR HA H 7 3.964 3.964 4.097 -0.133 18822
314 1 4 . 1 1 7 7 THR CA C 7 68.370 68.370 66.127 2.243 18822
315 1 4 . 1 1 7 7 THR H H 7 7.706 7.706 7.770 -0.064 18822
316 1 4 . 1 1 8 8 TYR N N 8 120.854 120.854 121.857 -1.003 18822
317 1 4 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.273 -0.064 18822
318 1 4 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.884 0.786 18822
319 1 4 . 1 1 8 8 TYR H H 8 8.100 8.100 7.776 0.324 18822
320 1 4 . 1 1 9 9 LEU N N 9 117.686 117.686 115.973 1.713 18822
321 1 4 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.410 -0.445 18822
322 1 4 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.868 3.221 18822
323 1 4 . 1 1 9 9 LEU H H 9 8.006 8.006 7.541 0.465 18822
324 1 4 . 1 1 10 10 ALA N N 10 121.286 121.286 123.098 -1.812 18822
325 1 4 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.363 -0.291 18822
326 1 4 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.098 0.362 18822
327 1 4 . 1 1 10 10 ALA H H 10 8.320 8.320 7.983 0.337 18822
328 1 4 . 1 1 11 11 LEU N N 11 119.311 119.311 118.914 0.397 18822
329 1 4 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.138 -0.085 18822
330 1 4 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.349 4.141 18822
331 1 4 . 1 1 11 11 LEU H H 11 8.158 8.158 7.536 0.622 18822
332 1 4 . 1 1 12 12 LEU N N 12 119.405 119.405 118.418 0.987 18822
333 1 4 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.157 -0.178 18822
334 1 4 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.605 1.485 18822
335 1 4 . 1 1 12 12 LEU H H 12 8.211 8.211 7.680 0.531 18822
336 1 4 . 1 1 13 13 ALA N N 13 120.690 120.690 121.068 -0.378 18822
337 1 4 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.350 -0.354 18822
338 1 4 . 1 1 13 13 ALA CA C 13 55.060 55.060 54.001 1.059 18822
339 1 4 . 1 1 13 13 ALA H H 13 8.353 8.353 7.911 0.442 18822
340 1 4 . 1 1 14 14 ALA N N 14 119.292 119.292 121.997 -2.705 18822
341 1 4 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.048 -0.041 18822
342 1 4 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.360 0.710 18822
343 1 4 . 1 1 14 14 ALA H H 14 8.140 8.140 7.689 0.451 18822
344 1 4 . 1 1 15 15 PHE N N 15 119.448 119.448 118.232 1.216 18822
345 1 4 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.327 0.025 18822
346 1 4 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.089 -0.019 18822
347 1 4 . 1 1 15 15 PHE H H 15 8.272 8.272 7.994 0.278 18822
348 1 4 . 1 1 16 16 LYS N N 16 116.153 116.153 121.825 -5.672 18822
349 1 4 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.177 0.085 18822
350 1 4 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.164 -1.274 18822
351 1 4 . 1 1 16 16 LYS H H 16 7.959 7.959 8.204 -0.245 18822
352 1 4 . 1 1 17 17 VAL N N 17 116.676 116.676 116.579 0.097 18822
353 1 4 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.282 -0.281 18822
354 1 4 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.990 1.550 18822
355 1 4 . 1 1 17 17 VAL H H 17 7.991 7.991 8.244 -0.253 18822
356 1 4 . 1 1 18 18 ARG N N 18 120.422 120.422 121.485 -1.063 18822
357 1 4 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.370 0.044 18822
358 1 4 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.434 -1.405 18822
359 1 4 . 1 1 18 18 ARG H H 18 8.075 8.075 8.140 -0.065 18822
360 1 4 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.571 -0.201 18822
361 1 4 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.009 0.231 18822
362 1 4 . 1 1 20 20 THR N N 20 111.614 111.614 115.501 -3.887 18822
363 1 4 . 1 1 20 20 THR HA H 20 4.254 4.254 4.096 0.158 18822
364 1 4 . 1 1 20 20 THR CA C 20 63.960 63.960 66.225 -2.265 18822
365 1 4 . 1 1 20 20 THR H H 20 7.520 7.520 8.106 -0.586 18822
366 1 4 . 1 1 21 21 PHE N N 21 121.158 121.158 121.599 -0.441 18822
367 1 4 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.218 0.163 18822
368 1 4 . 1 1 21 21 PHE CA C 21 59.890 59.890 60.758 -0.868 18822
369 1 4 . 1 1 21 21 PHE H H 21 8.065 8.065 7.690 0.375 18822
370 1 4 . 1 1 22 22 ALA N N 22 120.586 120.586 119.957 0.629 18822
371 1 4 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.143 -0.116 18822
372 1 4 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.269 0.361 18822
373 1 4 . 1 1 22 22 ALA H H 22 8.161 8.161 8.149 0.012 18822
374 1 4 . 1 1 23 23 ALA N N 23 118.530 118.530 122.137 -3.607 18822
375 1 4 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.176 -0.140 18822
376 1 4 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.567 0.153 18822
377 1 4 . 1 1 23 23 ALA H H 23 7.955 7.955 8.416 -0.461 18822
378 1 4 . 1 1 24 24 GLY N N 24 103.400 103.400 104.767 -1.367 18822
379 1 4 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.409 2.241 18822
380 1 4 . 1 1 24 24 GLY H H 24 7.990 7.990 7.751 0.239 18822
381 1 4 . 1 1 25 25 LEU N N 25 118.196 118.196 120.623 -2.427 18822
382 1 4 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.269 -0.115 18822
383 1 4 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.518 -0.968 18822
384 1 4 . 1 1 25 25 LEU H H 25 7.650 7.650 7.222 0.428 18822
385 1 4 . 1 1 26 26 LEU N N 26 116.901 116.901 118.117 -1.216 18822
386 1 4 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.068 0.188 18822
387 1 4 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.267 -1.537 18822
388 1 4 . 1 1 26 26 LEU H H 26 7.638 7.638 7.679 -0.041 18822
389 1 4 . 1 1 27 27 LEU N N 27 117.617 117.617 118.945 -1.328 18822
390 1 4 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.123 0.215 18822
391 1 4 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.368 -1.418 18822
392 1 4 . 1 1 27 27 LEU H H 27 7.673 7.673 7.954 -0.281 18822
393 1 5 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.024 -0.037 18822
394 1 5 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.774 0.796 18822
395 1 5 . 1 1 2 2 ILE H H 2 8.372 8.372 8.386 -0.014 18822
396 1 5 . 1 1 3 3 GLY N N 3 107.813 107.813 105.068 2.745 18822
397 1 5 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.055 1.765 18822
398 1 5 . 1 1 3 3 GLY H H 3 8.410 8.410 7.657 0.753 18822
399 1 5 . 1 1 4 4 MET N N 4 120.990 120.990 121.849 -0.859 18822
400 1 5 . 1 1 4 4 MET HA H 4 4.237 4.237 4.463 -0.226 18822
401 1 5 . 1 1 4 4 MET CA C 4 57.960 57.960 56.956 1.004 18822
402 1 5 . 1 1 4 4 MET H H 4 8.039 8.039 8.155 -0.116 18822
403 1 5 . 1 1 5 5 GLY N N 5 106.894 106.894 106.184 0.710 18822
404 1 5 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.055 1.635 18822
405 1 5 . 1 1 5 5 GLY H H 5 8.199 8.199 8.381 -0.182 18822
406 1 5 . 1 1 6 6 VAL N N 6 115.379 115.379 120.215 -4.836 18822
407 1 5 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.129 -0.375 18822
408 1 5 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.148 2.322 18822
409 1 5 . 1 1 6 6 VAL H H 6 8.268 8.268 7.424 0.844 18822
410 1 5 . 1 1 7 7 THR N N 7 115.692 115.692 116.759 -1.067 18822
411 1 5 . 1 1 7 7 THR HA H 7 3.964 3.964 4.126 -0.162 18822
412 1 5 . 1 1 7 7 THR CA C 7 68.370 68.370 65.172 3.198 18822
413 1 5 . 1 1 7 7 THR H H 7 7.706 7.706 7.811 -0.105 18822
414 1 5 . 1 1 8 8 TYR N N 8 120.854 120.854 121.342 -0.488 18822
415 1 5 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.348 -0.139 18822
416 1 5 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.785 0.885 18822
417 1 5 . 1 1 8 8 TYR H H 8 8.100 8.100 7.764 0.336 18822
418 1 5 . 1 1 9 9 LEU N N 9 117.686 117.686 117.101 0.585 18822
419 1 5 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.425 -0.460 18822
420 1 5 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.208 2.882 18822
421 1 5 . 1 1 9 9 LEU H H 9 8.006 8.006 7.599 0.407 18822
422 1 5 . 1 1 10 10 ALA N N 10 121.286 121.286 123.116 -1.830 18822
423 1 5 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.362 -0.290 18822
424 1 5 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.120 0.340 18822
425 1 5 . 1 1 10 10 ALA H H 10 8.320 8.320 7.980 0.340 18822
426 1 5 . 1 1 11 11 LEU N N 11 119.311 119.311 118.921 0.390 18822
427 1 5 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.225 -0.172 18822
428 1 5 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.422 4.069 18822
429 1 5 . 1 1 11 11 LEU H H 11 8.158 8.158 7.571 0.587 18822
430 1 5 . 1 1 12 12 LEU N N 12 119.405 119.405 118.599 0.806 18822
431 1 5 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.133 -0.154 18822
432 1 5 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.373 1.716 18822
433 1 5 . 1 1 12 12 LEU H H 12 8.211 8.211 7.794 0.417 18822
434 1 5 . 1 1 13 13 ALA N N 13 120.690 120.690 121.203 -0.513 18822
435 1 5 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.401 -0.405 18822
436 1 5 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.566 1.494 18822
437 1 5 . 1 1 13 13 ALA H H 13 8.353 8.353 7.813 0.540 18822
438 1 5 . 1 1 14 14 ALA N N 14 119.292 119.292 122.880 -3.588 18822
439 1 5 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.089 -0.082 18822
440 1 5 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.614 0.456 18822
441 1 5 . 1 1 14 14 ALA H H 14 8.140 8.140 7.703 0.437 18822
442 1 5 . 1 1 15 15 PHE N N 15 119.448 119.448 119.207 0.241 18822
443 1 5 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.216 0.136 18822
444 1 5 . 1 1 15 15 PHE CA C 15 60.070 60.070 61.224 -1.154 18822
445 1 5 . 1 1 15 15 PHE H H 15 8.272 8.272 8.307 -0.035 18822
446 1 5 . 1 1 16 16 LYS N N 16 116.153 116.153 118.973 -2.820 18822
447 1 5 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.126 0.136 18822
448 1 5 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.669 -2.779 18822
449 1 5 . 1 1 16 16 LYS H H 16 7.959 7.959 8.346 -0.387 18822
450 1 5 . 1 1 17 17 VAL N N 17 116.676 116.676 119.389 -2.713 18822
451 1 5 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.838 0.163 18822
452 1 5 . 1 1 17 17 VAL CA C 17 63.540 63.540 64.303 -0.763 18822
453 1 5 . 1 1 17 17 VAL H H 17 7.991 7.991 7.516 0.475 18822
454 1 5 . 1 1 18 18 ARG N N 18 120.422 120.422 119.216 1.206 18822
455 1 5 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.228 0.186 18822
456 1 5 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.820 -1.790 18822
457 1 5 . 1 1 18 18 ARG H H 18 8.075 8.075 7.312 0.763 18822
458 1 5 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.494 -0.124 18822
459 1 5 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.854 0.386 18822
460 1 5 . 1 1 20 20 THR N N 20 111.614 111.614 116.799 -5.185 18822
461 1 5 . 1 1 20 20 THR HA H 20 4.254 4.254 3.996 0.258 18822
462 1 5 . 1 1 20 20 THR CA C 20 63.960 63.960 66.969 -3.009 18822
463 1 5 . 1 1 20 20 THR H H 20 7.520 7.520 7.609 -0.089 18822
464 1 5 . 1 1 21 21 PHE N N 21 121.158 121.158 121.174 -0.016 18822
465 1 5 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.148 0.233 18822
466 1 5 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.467 -1.577 18822
467 1 5 . 1 1 21 21 PHE H H 21 8.065 8.065 7.680 0.385 18822
468 1 5 . 1 1 22 22 ALA N N 22 120.586 120.586 119.956 0.630 18822
469 1 5 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.094 -0.067 18822
470 1 5 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.203 0.427 18822
471 1 5 . 1 1 22 22 ALA H H 22 8.161 8.161 7.668 0.493 18822
472 1 5 . 1 1 23 23 ALA N N 23 118.530 118.530 122.506 -3.976 18822
473 1 5 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.166 -0.130 18822
474 1 5 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.548 0.172 18822
475 1 5 . 1 1 23 23 ALA H H 23 7.955 7.955 8.465 -0.510 18822
476 1 5 . 1 1 24 24 GLY N N 24 103.400 103.400 104.798 -1.398 18822
477 1 5 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.401 2.249 18822
478 1 5 . 1 1 24 24 GLY H H 24 7.990 7.990 7.885 0.105 18822
479 1 5 . 1 1 25 25 LEU N N 25 118.196 118.196 120.032 -1.836 18822
480 1 5 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.896 0.258 18822
481 1 5 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.754 -0.204 18822
482 1 5 . 1 1 25 25 LEU H H 25 7.650 7.650 6.974 0.676 18822
483 1 5 . 1 1 26 26 LEU N N 26 116.901 116.901 117.372 -0.471 18822
484 1 5 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.161 0.095 18822
485 1 5 . 1 1 26 26 LEU CA C 26 55.730 55.730 55.986 -0.256 18822
486 1 5 . 1 1 26 26 LEU H H 26 7.638 7.638 7.484 0.154 18822
487 1 5 . 1 1 27 27 LEU N N 27 117.617 117.617 120.539 -2.922 18822
488 1 5 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.173 0.165 18822
489 1 5 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.182 -0.232 18822
490 1 5 . 1 1 27 27 LEU H H 27 7.673 7.673 7.613 0.060 18822
491 1 6 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.044 -0.057 18822
492 1 6 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.893 0.677 18822
493 1 6 . 1 1 2 2 ILE H H 2 8.372 8.372 8.310 0.062 18822
494 1 6 . 1 1 3 3 GLY N N 3 107.813 107.813 105.719 2.094 18822
495 1 6 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.853 1.967 18822
496 1 6 . 1 1 3 3 GLY H H 3 8.410 8.410 7.714 0.696 18822
497 1 6 . 1 1 4 4 MET N N 4 120.990 120.990 121.825 -0.835 18822
498 1 6 . 1 1 4 4 MET HA H 4 4.237 4.237 4.456 -0.219 18822
499 1 6 . 1 1 4 4 MET CA C 4 57.960 57.960 56.574 1.387 18822
500 1 6 . 1 1 4 4 MET H H 4 8.039 8.039 8.272 -0.233 18822
501 1 6 . 1 1 5 5 GLY N N 5 106.894 106.894 105.981 0.913 18822
502 1 6 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.049 1.641 18822
503 1 6 . 1 1 5 5 GLY H H 5 8.199 8.199 8.392 -0.193 18822
504 1 6 . 1 1 6 6 VAL N N 6 115.379 115.379 119.705 -4.326 18822
505 1 6 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.062 -0.308 18822
506 1 6 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.487 1.983 18822
507 1 6 . 1 1 6 6 VAL H H 6 8.268 8.268 7.380 0.888 18822
508 1 6 . 1 1 7 7 THR N N 7 115.692 115.692 116.374 -0.682 18822
509 1 6 . 1 1 7 7 THR HA H 7 3.964 3.964 4.082 -0.118 18822
510 1 6 . 1 1 7 7 THR CA C 7 68.370 68.370 65.187 3.183 18822
511 1 6 . 1 1 7 7 THR H H 7 7.706 7.706 7.831 -0.125 18822
512 1 6 . 1 1 8 8 TYR N N 8 120.854 120.854 121.331 -0.477 18822
513 1 6 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.346 -0.137 18822
514 1 6 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.761 0.909 18822
515 1 6 . 1 1 8 8 TYR H H 8 8.100 8.100 7.760 0.340 18822
516 1 6 . 1 1 9 9 LEU N N 9 117.686 117.686 117.115 0.571 18822
517 1 6 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.428 -0.463 18822
518 1 6 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.194 2.896 18822
519 1 6 . 1 1 9 9 LEU H H 9 8.006 8.006 7.594 0.412 18822
520 1 6 . 1 1 10 10 ALA N N 10 121.286 121.286 123.106 -1.820 18822
521 1 6 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.369 -0.297 18822
522 1 6 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.105 0.355 18822
523 1 6 . 1 1 10 10 ALA H H 10 8.320 8.320 7.991 0.329 18822
524 1 6 . 1 1 11 11 LEU N N 11 119.311 119.311 119.053 0.258 18822
525 1 6 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.210 -0.157 18822
526 1 6 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.469 4.021 18822
527 1 6 . 1 1 11 11 LEU H H 11 8.158 8.158 7.444 0.714 18822
528 1 6 . 1 1 12 12 LEU N N 12 119.405 119.405 118.578 0.827 18822
529 1 6 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.165 -0.186 18822
530 1 6 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.058 2.032 18822
531 1 6 . 1 1 12 12 LEU H H 12 8.211 8.211 7.813 0.398 18822
532 1 6 . 1 1 13 13 ALA N N 13 120.690 120.690 121.666 -0.976 18822
533 1 6 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.371 -0.375 18822
534 1 6 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.532 1.528 18822
535 1 6 . 1 1 13 13 ALA H H 13 8.353 8.353 7.861 0.492 18822
536 1 6 . 1 1 14 14 ALA N N 14 119.292 119.292 122.005 -2.713 18822
537 1 6 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.057 -0.050 18822
538 1 6 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.362 0.708 18822
539 1 6 . 1 1 14 14 ALA H H 14 8.140 8.140 7.698 0.442 18822
540 1 6 . 1 1 15 15 PHE N N 15 119.448 119.448 118.214 1.234 18822
541 1 6 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.327 0.025 18822
542 1 6 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.165 -0.095 18822
543 1 6 . 1 1 15 15 PHE H H 15 8.272 8.272 7.999 0.273 18822
544 1 6 . 1 1 16 16 LYS N N 16 116.153 116.153 120.563 -4.410 18822
545 1 6 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.251 0.011 18822
546 1 6 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.100 -1.210 18822
547 1 6 . 1 1 16 16 LYS H H 16 7.959 7.959 8.127 -0.168 18822
548 1 6 . 1 1 17 17 VAL N N 17 116.676 116.676 116.318 0.358 18822
549 1 6 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.370 -0.369 18822
550 1 6 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.597 1.942 18822
551 1 6 . 1 1 17 17 VAL H H 17 7.991 7.991 8.270 -0.279 18822
552 1 6 . 1 1 18 18 ARG N N 18 120.422 120.422 122.545 -2.123 18822
553 1 6 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.231 0.183 18822
554 1 6 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.986 -0.956 18822
555 1 6 . 1 1 18 18 ARG H H 18 8.075 8.075 8.157 -0.082 18822
556 1 6 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.586 -0.216 18822
557 1 6 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.021 0.219 18822
558 1 6 . 1 1 20 20 THR N N 20 111.614 111.614 115.422 -3.808 18822
559 1 6 . 1 1 20 20 THR HA H 20 4.254 4.254 4.149 0.105 18822
560 1 6 . 1 1 20 20 THR CA C 20 63.960 63.960 66.384 -2.424 18822
561 1 6 . 1 1 20 20 THR H H 20 7.520 7.520 8.222 -0.702 18822
562 1 6 . 1 1 21 21 PHE N N 21 121.158 121.158 121.696 -0.538 18822
563 1 6 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.121 0.260 18822
564 1 6 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.758 -1.868 18822
565 1 6 . 1 1 21 21 PHE H H 21 8.065 8.065 7.748 0.317 18822
566 1 6 . 1 1 22 22 ALA N N 22 120.586 120.586 119.857 0.729 18822
567 1 6 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.115 -0.088 18822
568 1 6 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.265 0.365 18822
569 1 6 . 1 1 22 22 ALA H H 22 8.161 8.161 8.144 0.017 18822
570 1 6 . 1 1 23 23 ALA N N 23 118.530 118.530 122.114 -3.584 18822
571 1 6 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.162 -0.126 18822
572 1 6 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.548 0.172 18822
573 1 6 . 1 1 23 23 ALA H H 23 7.955 7.955 8.400 -0.445 18822
574 1 6 . 1 1 24 24 GLY N N 24 103.400 103.400 104.722 -1.322 18822
575 1 6 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.358 2.292 18822
576 1 6 . 1 1 24 24 GLY H H 24 7.990 7.990 7.701 0.289 18822
577 1 6 . 1 1 25 25 LEU N N 25 118.196 118.196 120.136 -1.940 18822
578 1 6 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.963 0.191 18822
579 1 6 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.961 -0.411 18822
580 1 6 . 1 1 25 25 LEU H H 25 7.650 7.650 7.047 0.603 18822
581 1 6 . 1 1 26 26 LEU N N 26 116.901 116.901 117.484 -0.583 18822
582 1 6 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.146 0.110 18822
583 1 6 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.189 -0.459 18822
584 1 6 . 1 1 26 26 LEU H H 26 7.638 7.638 7.531 0.107 18822
585 1 6 . 1 1 27 27 LEU N N 27 117.617 117.617 120.142 -2.525 18822
586 1 6 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.238 0.100 18822
587 1 6 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.436 0.514 18822
588 1 6 . 1 1 27 27 LEU H H 27 7.673 7.673 7.652 0.021 18822
589 1 7 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.979 0.008 18822
590 1 7 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.926 0.644 18822
591 1 7 . 1 1 2 2 ILE H H 2 8.372 8.372 8.363 0.009 18822
592 1 7 . 1 1 3 3 GLY N N 3 107.813 107.813 105.010 2.803 18822
593 1 7 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.974 1.846 18822
594 1 7 . 1 1 3 3 GLY H H 3 8.410 8.410 7.663 0.747 18822
595 1 7 . 1 1 4 4 MET N N 4 120.990 120.990 121.874 -0.884 18822
596 1 7 . 1 1 4 4 MET HA H 4 4.237 4.237 4.452 -0.215 18822
597 1 7 . 1 1 4 4 MET CA C 4 57.960 57.960 56.938 1.022 18822
598 1 7 . 1 1 4 4 MET H H 4 8.039 8.039 8.143 -0.104 18822
599 1 7 . 1 1 5 5 GLY N N 5 106.894 106.894 106.091 0.803 18822
600 1 7 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.014 1.676 18822
601 1 7 . 1 1 5 5 GLY H H 5 8.199 8.199 8.407 -0.208 18822
602 1 7 . 1 1 6 6 VAL N N 6 115.379 115.379 119.640 -4.261 18822
603 1 7 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.055 -0.301 18822
604 1 7 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.408 2.062 18822
605 1 7 . 1 1 6 6 VAL H H 6 8.268 8.268 7.314 0.954 18822
606 1 7 . 1 1 7 7 THR N N 7 115.692 115.692 116.130 -0.438 18822
607 1 7 . 1 1 7 7 THR HA H 7 3.964 3.964 4.048 -0.084 18822
608 1 7 . 1 1 7 7 THR CA C 7 68.370 68.370 66.039 2.331 18822
609 1 7 . 1 1 7 7 THR H H 7 7.706 7.706 7.800 -0.094 18822
610 1 7 . 1 1 8 8 TYR N N 8 120.854 120.854 121.711 -0.857 18822
611 1 7 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.325 -0.116 18822
612 1 7 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.867 0.803 18822
613 1 7 . 1 1 8 8 TYR H H 8 8.100 8.100 7.750 0.350 18822
614 1 7 . 1 1 9 9 LEU N N 9 117.686 117.686 117.080 0.606 18822
615 1 7 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.415 -0.450 18822
616 1 7 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.175 2.916 18822
617 1 7 . 1 1 9 9 LEU H H 9 8.006 8.006 7.576 0.430 18822
618 1 7 . 1 1 10 10 ALA N N 10 121.286 121.286 123.058 -1.772 18822
619 1 7 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.354 -0.282 18822
620 1 7 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.052 0.408 18822
621 1 7 . 1 1 10 10 ALA H H 10 8.320 8.320 7.970 0.350 18822
622 1 7 . 1 1 11 11 LEU N N 11 119.311 119.311 118.869 0.442 18822
623 1 7 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.081 -0.028 18822
624 1 7 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.277 4.213 18822
625 1 7 . 1 1 11 11 LEU H H 11 8.158 8.158 7.500 0.658 18822
626 1 7 . 1 1 12 12 LEU N N 12 119.405 119.405 118.605 0.800 18822
627 1 7 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.120 -0.141 18822
628 1 7 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.341 1.749 18822
629 1 7 . 1 1 12 12 LEU H H 12 8.211 8.211 7.762 0.449 18822
630 1 7 . 1 1 13 13 ALA N N 13 120.690 120.690 121.155 -0.465 18822
631 1 7 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.365 -0.369 18822
632 1 7 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.566 1.494 18822
633 1 7 . 1 1 13 13 ALA H H 13 8.353 8.353 7.818 0.535 18822
634 1 7 . 1 1 14 14 ALA N N 14 119.292 119.292 122.554 -3.262 18822
635 1 7 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.115 -0.108 18822
636 1 7 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.534 0.536 18822
637 1 7 . 1 1 14 14 ALA H H 14 8.140 8.140 7.700 0.440 18822
638 1 7 . 1 1 15 15 PHE N N 15 119.448 119.448 118.633 0.815 18822
639 1 7 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.295 0.057 18822
640 1 7 . 1 1 15 15 PHE CA C 15 60.070 60.070 59.837 0.233 18822
641 1 7 . 1 1 15 15 PHE H H 15 8.272 8.272 8.106 0.166 18822
642 1 7 . 1 1 16 16 LYS N N 16 116.153 116.153 117.908 -1.755 18822
643 1 7 . 1 1 16 16 LYS HA H 16 4.262 4.262 3.876 0.386 18822
644 1 7 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.595 -2.705 18822
645 1 7 . 1 1 16 16 LYS H H 16 7.959 7.959 7.977 -0.018 18822
646 1 7 . 1 1 17 17 VAL N N 17 116.676 116.676 113.652 3.024 18822
647 1 7 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.673 0.328 18822
648 1 7 . 1 1 17 17 VAL CA C 17 63.540 63.540 63.945 -0.405 18822
649 1 7 . 1 1 17 17 VAL H H 17 7.991 7.991 7.216 0.775 18822
650 1 7 . 1 1 18 18 ARG N N 18 120.422 120.422 122.096 -1.674 18822
651 1 7 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.071 0.343 18822
652 1 7 . 1 1 18 18 ARG CA C 18 58.030 58.030 55.778 2.252 18822
653 1 7 . 1 1 18 18 ARG H H 18 8.075 8.075 7.221 0.854 18822
654 1 7 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.433 -0.063 18822
655 1 7 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.760 0.480 18822
656 1 7 . 1 1 20 20 THR N N 20 111.614 111.614 114.860 -3.246 18822
657 1 7 . 1 1 20 20 THR HA H 20 4.254 4.254 4.055 0.199 18822
658 1 7 . 1 1 20 20 THR CA C 20 63.960 63.960 66.158 -2.198 18822
659 1 7 . 1 1 20 20 THR H H 20 7.520 7.520 8.413 -0.893 18822
660 1 7 . 1 1 21 21 PHE N N 21 121.158 121.158 122.238 -1.080 18822
661 1 7 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.171 0.210 18822
662 1 7 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.445 -1.555 18822
663 1 7 . 1 1 21 21 PHE H H 21 8.065 8.065 7.732 0.333 18822
664 1 7 . 1 1 22 22 ALA N N 22 120.586 120.586 120.017 0.569 18822
665 1 7 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.124 -0.097 18822
666 1 7 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.116 0.514 18822
667 1 7 . 1 1 22 22 ALA H H 22 8.161 8.161 7.717 0.444 18822
668 1 7 . 1 1 23 23 ALA N N 23 118.530 118.530 122.532 -4.002 18822
669 1 7 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.167 -0.131 18822
670 1 7 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.537 0.183 18822
671 1 7 . 1 1 23 23 ALA H H 23 7.955 7.955 8.406 -0.451 18822
672 1 7 . 1 1 24 24 GLY N N 24 103.400 103.400 105.306 -1.906 18822
673 1 7 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.084 2.566 18822
674 1 7 . 1 1 24 24 GLY H H 24 7.990 7.990 7.731 0.259 18822
675 1 7 . 1 1 25 25 LEU N N 25 118.196 118.196 117.496 0.700 18822
676 1 7 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.964 0.190 18822
677 1 7 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.213 0.337 18822
678 1 7 . 1 1 25 25 LEU H H 25 7.650 7.650 6.930 0.720 18822
679 1 7 . 1 1 26 26 LEU N N 26 116.901 116.901 120.368 -3.467 18822
680 1 7 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.166 0.090 18822
681 1 7 . 1 1 26 26 LEU CA C 26 55.730 55.730 54.910 0.820 18822
682 1 7 . 1 1 26 26 LEU H H 26 7.638 7.638 7.466 0.172 18822
683 1 7 . 1 1 27 27 LEU N N 27 117.617 117.617 125.862 -8.245 18822
684 1 7 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.200 0.138 18822
685 1 7 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.145 -0.195 18822
686 1 7 . 1 1 27 27 LEU H H 27 7.673 7.673 8.188 -0.515 18822
687 1 8 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.069 -0.082 18822
688 1 8 . 1 1 2 2 ILE CA C 2 63.570 63.570 63.035 0.535 18822
689 1 8 . 1 1 2 2 ILE H H 2 8.372 8.372 8.603 -0.231 18822
690 1 8 . 1 1 3 3 GLY N N 3 107.813 107.813 105.980 1.833 18822
691 1 8 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.823 1.997 18822
692 1 8 . 1 1 3 3 GLY H H 3 8.410 8.410 7.717 0.693 18822
693 1 8 . 1 1 4 4 MET N N 4 120.990 120.990 121.542 -0.552 18822
694 1 8 . 1 1 4 4 MET HA H 4 4.237 4.237 4.493 -0.256 18822
695 1 8 . 1 1 4 4 MET CA C 4 57.960 57.960 55.086 2.874 18822
696 1 8 . 1 1 4 4 MET H H 4 8.039 8.039 8.417 -0.378 18822
697 1 8 . 1 1 5 5 GLY N N 5 106.894 106.894 105.965 0.929 18822
698 1 8 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.142 1.548 18822
699 1 8 . 1 1 5 5 GLY H H 5 8.199 8.199 8.424 -0.225 18822
700 1 8 . 1 1 6 6 VAL N N 6 115.379 115.379 119.802 -4.423 18822
701 1 8 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.037 -0.283 18822
702 1 8 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.561 1.909 18822
703 1 8 . 1 1 6 6 VAL H H 6 8.268 8.268 7.372 0.896 18822
704 1 8 . 1 1 7 7 THR N N 7 115.692 115.692 116.337 -0.645 18822
705 1 8 . 1 1 7 7 THR HA H 7 3.964 3.964 4.062 -0.098 18822
706 1 8 . 1 1 7 7 THR CA C 7 68.370 68.370 65.160 3.210 18822
707 1 8 . 1 1 7 7 THR H H 7 7.706 7.706 7.817 -0.111 18822
708 1 8 . 1 1 8 8 TYR N N 8 120.854 120.854 120.923 -0.069 18822
709 1 8 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.303 -0.094 18822
710 1 8 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.879 0.791 18822
711 1 8 . 1 1 8 8 TYR H H 8 8.100 8.100 7.777 0.323 18822
712 1 8 . 1 1 9 9 LEU N N 9 117.686 117.686 116.071 1.615 18822
713 1 8 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.418 -0.453 18822
714 1 8 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.888 3.202 18822
715 1 8 . 1 1 9 9 LEU H H 9 8.006 8.006 7.533 0.473 18822
716 1 8 . 1 1 10 10 ALA N N 10 121.286 121.286 123.130 -1.844 18822
717 1 8 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.347 -0.275 18822
718 1 8 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.151 0.309 18822
719 1 8 . 1 1 10 10 ALA H H 10 8.320 8.320 7.992 0.328 18822
720 1 8 . 1 1 11 11 LEU N N 11 119.311 119.311 119.079 0.232 18822
721 1 8 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.032 0.021 18822
722 1 8 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.399 4.091 18822
723 1 8 . 1 1 11 11 LEU H H 11 8.158 8.158 7.461 0.697 18822
724 1 8 . 1 1 12 12 LEU N N 12 119.405 119.405 118.112 1.293 18822
725 1 8 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.144 -0.165 18822
726 1 8 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.413 1.677 18822
727 1 8 . 1 1 12 12 LEU H H 12 8.211 8.211 7.677 0.534 18822
728 1 8 . 1 1 13 13 ALA N N 13 120.690 120.690 120.881 -0.191 18822
729 1 8 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.311 -0.315 18822
730 1 8 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.976 1.084 18822
731 1 8 . 1 1 13 13 ALA H H 13 8.353 8.353 7.869 0.484 18822
732 1 8 . 1 1 14 14 ALA N N 14 119.292 119.292 122.021 -2.729 18822
733 1 8 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.053 -0.046 18822
734 1 8 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.398 0.672 18822
735 1 8 . 1 1 14 14 ALA H H 14 8.140 8.140 7.678 0.462 18822
736 1 8 . 1 1 15 15 PHE N N 15 119.448 119.448 118.330 1.118 18822
737 1 8 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.336 0.016 18822
738 1 8 . 1 1 15 15 PHE CA C 15 60.070 60.070 59.770 0.300 18822
739 1 8 . 1 1 15 15 PHE H H 15 8.272 8.272 8.022 0.250 18822
740 1 8 . 1 1 16 16 LYS N N 16 116.153 116.153 121.236 -5.083 18822
741 1 8 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.178 0.084 18822
742 1 8 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.359 -1.469 18822
743 1 8 . 1 1 16 16 LYS H H 16 7.959 7.959 8.174 -0.215 18822
744 1 8 . 1 1 17 17 VAL N N 17 116.676 116.676 116.330 0.346 18822
745 1 8 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.433 -0.432 18822
746 1 8 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.523 2.017 18822
747 1 8 . 1 1 17 17 VAL H H 17 7.991 7.991 8.097 -0.106 18822
748 1 8 . 1 1 18 18 ARG N N 18 120.422 120.422 122.489 -2.067 18822
749 1 8 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.273 0.141 18822
750 1 8 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.787 -1.757 18822
751 1 8 . 1 1 18 18 ARG H H 18 8.075 8.075 8.173 -0.098 18822
752 1 8 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.638 -0.268 18822
753 1 8 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.876 0.364 18822
754 1 8 . 1 1 20 20 THR N N 20 111.614 111.614 115.881 -4.267 18822
755 1 8 . 1 1 20 20 THR HA H 20 4.254 4.254 4.139 0.115 18822
756 1 8 . 1 1 20 20 THR CA C 20 63.960 63.960 66.428 -2.468 18822
757 1 8 . 1 1 20 20 THR H H 20 7.520 7.520 8.195 -0.675 18822
758 1 8 . 1 1 21 21 PHE N N 21 121.158 121.158 121.707 -0.549 18822
759 1 8 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.234 0.147 18822
760 1 8 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.290 -1.400 18822
761 1 8 . 1 1 21 21 PHE H H 21 8.065 8.065 7.688 0.377 18822
762 1 8 . 1 1 22 22 ALA N N 22 120.586 120.586 119.948 0.638 18822
763 1 8 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.156 -0.129 18822
764 1 8 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.240 0.390 18822
765 1 8 . 1 1 22 22 ALA H H 22 8.161 8.161 8.134 0.027 18822
766 1 8 . 1 1 23 23 ALA N N 23 118.530 118.530 122.338 -3.808 18822
767 1 8 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.162 -0.126 18822
768 1 8 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.593 0.127 18822
769 1 8 . 1 1 23 23 ALA H H 23 7.955 7.955 8.394 -0.439 18822
770 1 8 . 1 1 24 24 GLY N N 24 103.400 103.400 105.160 -1.760 18822
771 1 8 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.055 2.595 18822
772 1 8 . 1 1 24 24 GLY H H 24 7.990 7.990 7.646 0.344 18822
773 1 8 . 1 1 25 25 LEU N N 25 118.196 118.196 118.067 0.129 18822
774 1 8 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.269 -0.115 18822
775 1 8 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.688 -0.138 18822
776 1 8 . 1 1 25 25 LEU H H 25 7.650 7.650 7.166 0.484 18822
777 1 8 . 1 1 26 26 LEU N N 26 116.901 116.901 120.424 -3.523 18822
778 1 8 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.252 0.004 18822
779 1 8 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.003 -0.273 18822
780 1 8 . 1 1 26 26 LEU H H 26 7.638 7.638 7.573 0.065 18822
781 1 8 . 1 1 27 27 LEU N N 27 117.617 117.617 120.738 -3.121 18822
782 1 8 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.569 -0.231 18822
783 1 8 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.999 -0.049 18822
784 1 8 . 1 1 27 27 LEU H H 27 7.673 7.673 8.299 -0.626 18822
785 1 9 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.120 -0.133 18822
786 1 9 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.079 1.491 18822
787 1 9 . 1 1 2 2 ILE H H 2 8.372 8.372 8.490 -0.118 18822
788 1 9 . 1 1 3 3 GLY N N 3 107.813 107.813 116.447 -8.634 18822
789 1 9 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.938 0.882 18822
790 1 9 . 1 1 3 3 GLY H H 3 8.410 8.410 8.683 -0.273 18822
791 1 9 . 1 1 4 4 MET N N 4 120.990 120.990 119.344 1.646 18822
792 1 9 . 1 1 4 4 MET HA H 4 4.237 4.237 4.230 0.007 18822
793 1 9 . 1 1 4 4 MET CA C 4 57.960 57.960 57.228 0.732 18822
794 1 9 . 1 1 4 4 MET H H 4 8.039 8.039 7.600 0.439 18822
795 1 9 . 1 1 5 5 GLY N N 5 106.894 106.894 105.234 1.660 18822
796 1 9 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.054 1.635 18822
797 1 9 . 1 1 5 5 GLY H H 5 8.199 8.199 8.285 -0.086 18822
798 1 9 . 1 1 6 6 VAL N N 6 115.379 115.379 119.531 -4.152 18822
799 1 9 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.125 -0.371 18822
800 1 9 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.088 2.382 18822
801 1 9 . 1 1 6 6 VAL H H 6 8.268 8.268 8.050 0.218 18822
802 1 9 . 1 1 7 7 THR N N 7 115.692 115.692 116.295 -0.603 18822
803 1 9 . 1 1 7 7 THR HA H 7 3.964 3.964 4.121 -0.157 18822
804 1 9 . 1 1 7 7 THR CA C 7 68.370 68.370 65.830 2.540 18822
805 1 9 . 1 1 7 7 THR H H 7 7.706 7.706 7.391 0.315 18822
806 1 9 . 1 1 8 8 TYR N N 8 120.854 120.854 121.943 -1.089 18822
807 1 9 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.330 -0.121 18822
808 1 9 . 1 1 8 8 TYR CA C 8 61.670 61.670 61.053 0.617 18822
809 1 9 . 1 1 8 8 TYR H H 8 8.100 8.100 7.851 0.249 18822
810 1 9 . 1 1 9 9 LEU N N 9 117.686 117.686 116.959 0.727 18822
811 1 9 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.433 -0.468 18822
812 1 9 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.195 2.895 18822
813 1 9 . 1 1 9 9 LEU H H 9 8.006 8.006 7.545 0.461 18822
814 1 9 . 1 1 10 10 ALA N N 10 121.286 121.286 123.092 -1.806 18822
815 1 9 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.356 -0.284 18822
816 1 9 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.116 0.344 18822
817 1 9 . 1 1 10 10 ALA H H 10 8.320 8.320 7.808 0.512 18822
818 1 9 . 1 1 11 11 LEU N N 11 119.311 119.311 118.992 0.319 18822
819 1 9 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.192 -0.139 18822
820 1 9 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.460 4.030 18822
821 1 9 . 1 1 11 11 LEU H H 11 8.158 8.158 7.446 0.712 18822
822 1 9 . 1 1 12 12 LEU N N 12 119.405 119.405 118.247 1.158 18822
823 1 9 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.191 -0.212 18822
824 1 9 . 1 1 12 12 LEU CA C 12 58.090 58.090 55.882 2.208 18822
825 1 9 . 1 1 12 12 LEU H H 12 8.211 8.211 7.713 0.498 18822
826 1 9 . 1 1 13 13 ALA N N 13 120.690 120.690 120.326 0.364 18822
827 1 9 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.312 -0.316 18822
828 1 9 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.781 1.279 18822
829 1 9 . 1 1 13 13 ALA H H 13 8.353 8.353 7.847 0.506 18822
830 1 9 . 1 1 14 14 ALA N N 14 119.292 119.292 122.010 -2.718 18822
831 1 9 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.055 -0.048 18822
832 1 9 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.364 0.706 18822
833 1 9 . 1 1 14 14 ALA H H 14 8.140 8.140 7.695 0.445 18822
834 1 9 . 1 1 15 15 PHE N N 15 119.448 119.448 118.225 1.223 18822
835 1 9 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.330 0.022 18822
836 1 9 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.135 -0.065 18822
837 1 9 . 1 1 15 15 PHE H H 15 8.272 8.272 8.002 0.270 18822
838 1 9 . 1 1 16 16 LYS N N 16 116.153 116.153 121.270 -5.117 18822
839 1 9 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.217 0.045 18822
840 1 9 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.388 -1.498 18822
841 1 9 . 1 1 16 16 LYS H H 16 7.959 7.959 8.174 -0.215 18822
842 1 9 . 1 1 17 17 VAL N N 17 116.676 116.676 116.139 0.537 18822
843 1 9 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.443 -0.442 18822
844 1 9 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.536 2.004 18822
845 1 9 . 1 1 17 17 VAL H H 17 7.991 7.991 8.133 -0.142 18822
846 1 9 . 1 1 18 18 ARG N N 18 120.422 120.422 122.524 -2.102 18822
847 1 9 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.271 0.143 18822
848 1 9 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.815 -1.785 18822
849 1 9 . 1 1 18 18 ARG H H 18 8.075 8.075 8.176 -0.101 18822
850 1 9 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.646 -0.276 18822
851 1 9 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.882 0.358 18822
852 1 9 . 1 1 20 20 THR N N 20 111.614 111.614 115.823 -4.209 18822
853 1 9 . 1 1 20 20 THR HA H 20 4.254 4.254 4.150 0.104 18822
854 1 9 . 1 1 20 20 THR CA C 20 63.960 63.960 66.199 -2.239 18822
855 1 9 . 1 1 20 20 THR H H 20 7.520 7.520 8.230 -0.710 18822
856 1 9 . 1 1 21 21 PHE N N 21 121.158 121.158 121.618 -0.460 18822
857 1 9 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.173 0.208 18822
858 1 9 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.743 -1.853 18822
859 1 9 . 1 1 21 21 PHE H H 21 8.065 8.065 7.723 0.342 18822
860 1 9 . 1 1 22 22 ALA N N 22 120.586 120.586 119.892 0.694 18822
861 1 9 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.150 -0.123 18822
862 1 9 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.291 0.339 18822
863 1 9 . 1 1 22 22 ALA H H 22 8.161 8.161 8.122 0.039 18822
864 1 9 . 1 1 23 23 ALA N N 23 118.530 118.530 122.105 -3.575 18822
865 1 9 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.168 -0.132 18822
866 1 9 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.558 0.162 18822
867 1 9 . 1 1 23 23 ALA H H 23 7.955 7.955 8.405 -0.450 18822
868 1 9 . 1 1 24 24 GLY N N 24 103.400 103.400 104.719 -1.319 18822
869 1 9 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.372 2.278 18822
870 1 9 . 1 1 24 24 GLY H H 24 7.990 7.990 7.708 0.282 18822
871 1 9 . 1 1 25 25 LEU N N 25 118.196 118.196 120.763 -2.567 18822
872 1 9 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.114 0.040 18822
873 1 9 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.499 -0.949 18822
874 1 9 . 1 1 25 25 LEU H H 25 7.650 7.650 7.185 0.465 18822
875 1 9 . 1 1 26 26 LEU N N 26 116.901 116.901 118.581 -1.680 18822
876 1 9 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.075 0.181 18822
877 1 9 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.447 -1.717 18822
878 1 9 . 1 1 26 26 LEU H H 26 7.638 7.638 7.662 -0.024 18822
879 1 9 . 1 1 27 27 LEU N N 27 117.617 117.617 119.338 -1.721 18822
880 1 9 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.164 0.174 18822
881 1 9 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.050 -1.099 18822
882 1 9 . 1 1 27 27 LEU H H 27 7.673 7.673 7.961 -0.288 18822
883 1 10 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.045 -0.058 18822
884 1 10 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.927 0.643 18822
885 1 10 . 1 1 2 2 ILE H H 2 8.372 8.372 8.308 0.064 18822
886 1 10 . 1 1 3 3 GLY N N 3 107.813 107.813 105.701 2.112 18822
887 1 10 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.790 2.030 18822
888 1 10 . 1 1 3 3 GLY H H 3 8.410 8.410 7.753 0.657 18822
889 1 10 . 1 1 4 4 MET N N 4 120.990 120.990 122.279 -1.289 18822
890 1 10 . 1 1 4 4 MET HA H 4 4.237 4.237 4.434 -0.197 18822
891 1 10 . 1 1 4 4 MET CA C 4 57.960 57.960 56.390 1.570 18822
892 1 10 . 1 1 4 4 MET H H 4 8.039 8.039 8.192 -0.153 18822
893 1 10 . 1 1 5 5 GLY N N 5 106.894 106.894 105.512 1.382 18822
894 1 10 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.189 1.501 18822
895 1 10 . 1 1 5 5 GLY H H 5 8.199 8.199 8.658 -0.459 18822
896 1 10 . 1 1 6 6 VAL N N 6 115.379 115.379 118.711 -3.332 18822
897 1 10 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.130 -0.376 18822
898 1 10 . 1 1 6 6 VAL CA C 6 66.470 66.470 63.791 2.679 18822
899 1 10 . 1 1 6 6 VAL H H 6 8.268 8.268 7.311 0.957 18822
900 1 10 . 1 1 7 7 THR N N 7 115.692 115.692 115.935 -0.243 18822
901 1 10 . 1 1 7 7 THR HA H 7 3.964 3.964 4.059 -0.095 18822
902 1 10 . 1 1 7 7 THR CA C 7 68.370 68.370 65.944 2.426 18822
903 1 10 . 1 1 7 7 THR H H 7 7.706 7.706 7.676 0.030 18822
904 1 10 . 1 1 8 8 TYR N N 8 120.854 120.854 121.408 -0.554 18822
905 1 10 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.313 -0.104 18822
906 1 10 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.999 0.671 18822
907 1 10 . 1 1 8 8 TYR H H 8 8.100 8.100 7.889 0.211 18822
908 1 10 . 1 1 9 9 LEU N N 9 117.686 117.686 117.010 0.676 18822
909 1 10 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.431 -0.466 18822
910 1 10 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.171 2.919 18822
911 1 10 . 1 1 9 9 LEU H H 9 8.006 8.006 7.541 0.465 18822
912 1 10 . 1 1 10 10 ALA N N 10 121.286 121.286 123.119 -1.833 18822
913 1 10 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.364 -0.292 18822
914 1 10 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.096 0.364 18822
915 1 10 . 1 1 10 10 ALA H H 10 8.320 8.320 7.976 0.344 18822
916 1 10 . 1 1 11 11 LEU N N 11 119.311 119.311 118.915 0.396 18822
917 1 10 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.138 -0.085 18822
918 1 10 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.350 4.140 18822
919 1 10 . 1 1 11 11 LEU H H 11 8.158 8.158 7.544 0.614 18822
920 1 10 . 1 1 12 12 LEU N N 12 119.405 119.405 118.540 0.865 18822
921 1 10 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.137 -0.158 18822
922 1 10 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.369 1.721 18822
923 1 10 . 1 1 12 12 LEU H H 12 8.211 8.211 7.766 0.445 18822
924 1 10 . 1 1 13 13 ALA N N 13 120.690 120.690 121.195 -0.505 18822
925 1 10 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.408 -0.412 18822
926 1 10 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.536 1.524 18822
927 1 10 . 1 1 13 13 ALA H H 13 8.353 8.353 7.799 0.554 18822
928 1 10 . 1 1 14 14 ALA N N 14 119.292 119.292 121.998 -2.706 18822
929 1 10 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.051 -0.044 18822
930 1 10 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.363 0.707 18822
931 1 10 . 1 1 14 14 ALA H H 14 8.140 8.140 7.690 0.450 18822
932 1 10 . 1 1 15 15 PHE N N 15 119.448 119.448 118.231 1.217 18822
933 1 10 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.330 0.022 18822
934 1 10 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.086 -0.016 18822
935 1 10 . 1 1 15 15 PHE H H 15 8.272 8.272 7.995 0.277 18822
936 1 10 . 1 1 16 16 LYS N N 16 116.153 116.153 121.468 -5.315 18822
937 1 10 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.179 0.083 18822
938 1 10 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.447 -1.556 18822
939 1 10 . 1 1 16 16 LYS H H 16 7.959 7.959 8.159 -0.200 18822
940 1 10 . 1 1 17 17 VAL N N 17 116.676 116.676 115.616 1.060 18822
941 1 10 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.414 -0.413 18822
942 1 10 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.234 2.306 18822
943 1 10 . 1 1 17 17 VAL H H 17 7.991 7.991 8.057 -0.066 18822
944 1 10 . 1 1 18 18 ARG N N 18 120.422 120.422 122.712 -2.290 18822
945 1 10 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.284 0.130 18822
946 1 10 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.779 -1.749 18822
947 1 10 . 1 1 18 18 ARG H H 18 8.075 8.075 8.051 0.024 18822
948 1 10 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.645 -0.275 18822
949 1 10 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.891 0.348 18822
950 1 10 . 1 1 20 20 THR N N 20 111.614 111.614 115.912 -4.298 18822
951 1 10 . 1 1 20 20 THR HA H 20 4.254 4.254 4.139 0.115 18822
952 1 10 . 1 1 20 20 THR CA C 20 63.960 63.960 66.582 -2.622 18822
953 1 10 . 1 1 20 20 THR H H 20 7.520 7.520 8.186 -0.666 18822
954 1 10 . 1 1 21 21 PHE N N 21 121.158 121.158 121.845 -0.687 18822
955 1 10 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.149 0.232 18822
956 1 10 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.141 -1.251 18822
957 1 10 . 1 1 21 21 PHE H H 21 8.065 8.065 7.679 0.386 18822
958 1 10 . 1 1 22 22 ALA N N 22 120.586 120.586 119.974 0.612 18822
959 1 10 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.154 -0.127 18822
960 1 10 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.237 0.393 18822
961 1 10 . 1 1 22 22 ALA H H 22 8.161 8.161 8.137 0.024 18822
962 1 10 . 1 1 23 23 ALA N N 23 118.530 118.530 122.342 -3.812 18822
963 1 10 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.167 -0.131 18822
964 1 10 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.602 0.118 18822
965 1 10 . 1 1 23 23 ALA H H 23 7.955 7.955 8.402 -0.447 18822
966 1 10 . 1 1 24 24 GLY N N 24 103.400 103.400 105.167 -1.767 18822
967 1 10 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.781 1.869 18822
968 1 10 . 1 1 24 24 GLY H H 24 7.990 7.990 7.808 0.182 18822
969 1 10 . 1 1 25 25 LEU N N 25 118.196 118.196 119.111 -0.915 18822
970 1 10 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.239 -0.085 18822
971 1 10 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.364 -0.814 18822
972 1 10 . 1 1 25 25 LEU H H 25 7.650 7.650 7.425 0.225 18822
973 1 10 . 1 1 26 26 LEU N N 26 116.901 116.901 120.130 -3.229 18822
974 1 10 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.086 0.170 18822
975 1 10 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.679 -0.949 18822
976 1 10 . 1 1 26 26 LEU H H 26 7.638 7.638 8.056 -0.418 18822
977 1 10 . 1 1 27 27 LEU N N 27 117.617 117.617 118.171 -0.554 18822
978 1 10 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.153 0.185 18822
979 1 10 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.929 0.021 18822
980 1 10 . 1 1 27 27 LEU H H 27 7.673 7.673 7.802 -0.129 18822
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 24 2.170 0.791 2.064 18822
2 1 1 "Average Difference" HA 29 0.238 0.136 0.199 18822
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18822
4 1 1 "Average Difference" CA 26 1.702 -0.860 1.498 18822
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18822
6 1 1 "Average Difference" HN 25 0.418 -0.190 0.380 18822
7 1 2 "Average Difference" N 24 2.649 1.346 2.331 18822
8 1 2 "Average Difference" HA 29 0.259 0.147 0.217 18822
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18822
10 1 2 "Average Difference" CA 26 1.986 -1.085 1.697 18822
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18822
12 1 2 "Average Difference" HN 25 0.418 -0.179 0.385 18822
13 1 3 "Average Difference" N 24 2.161 0.891 2.011 18822
14 1 3 "Average Difference" HA 29 0.242 0.084 0.231 18822
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18822
16 1 3 "Average Difference" CA 26 1.854 -0.436 1.838 18822
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18822
18 1 3 "Average Difference" HN 25 0.457 -0.249 0.392 18822
19 1 4 "Average Difference" N 24 2.264 1.036 2.057 18822
20 1 4 "Average Difference" HA 29 0.244 0.120 0.216 18822
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18822
22 1 4 "Average Difference" CA 26 1.752 -0.695 1.640 18822
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18822
24 1 4 "Average Difference" HN 25 0.413 -0.138 0.397 18822
25 1 5 "Average Difference" N 24 2.284 1.134 2.025 18822
26 1 5 "Average Difference" HA 29 0.254 0.087 0.242 18822
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18822
28 1 5 "Average Difference" CA 26 1.799 -0.540 1.750 18822
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18822
30 1 5 "Average Difference" HN 25 0.440 -0.253 0.367 18822
31 1 6 "Average Difference" N 24 2.082 1.070 1.824 18822
32 1 6 "Average Difference" HA 29 0.244 0.117 0.219 18822
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18822
34 1 6 "Average Difference" CA 26 1.722 -0.822 1.543 18822
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18822
36 1 6 "Average Difference" HN 25 0.416 -0.167 0.389 18822
37 1 7 "Average Difference" N 24 2.673 1.115 2.481 18822
38 1 7 "Average Difference" HA 29 0.254 0.059 0.252 18822
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18822
40 1 7 "Average Difference" CA 26 1.730 -0.847 1.538 18822
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18822
42 1 7 "Average Difference" HN 25 0.515 -0.254 0.457 18822
43 1 8 "Average Difference" N 24 2.326 1.104 2.092 18822
44 1 8 "Average Difference" HA 29 0.238 0.134 0.200 18822
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18822
46 1 8 "Average Difference" CA 26 1.815 -0.851 1.634 18822
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18822
48 1 8 "Average Difference" HN 25 0.441 -0.133 0.429 18822
49 1 9 "Average Difference" N 24 2.808 1.393 2.491 18822
50 1 9 "Average Difference" HA 29 0.250 0.086 0.239 18822
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18822
52 1 9 "Average Difference" CA 26 1.742 -0.603 1.667 18822
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18822
54 1 9 "Average Difference" HN 25 0.376 -0.134 0.359 18822
55 1 10 "Average Difference" N 24 2.203 1.042 1.982 18822
56 1 10 "Average Difference" HA 29 0.232 0.114 0.206 18822
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18822
58 1 10 "Average Difference" CA 26 1.742 -0.730 1.613 18822
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18822
60 1 10 "Average Difference" HN 25 0.412 -0.135 0.397 18822
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 18822
_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 ILE HA H 2 3.987 3.987 4.026 -0.039 18822
2 1 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.841 0.729 18822
3 1 . 1 1 2 2 ILE H H 2 8.372 8.372 8.390 -0.018 18822
4 1 . 1 1 3 3 GLY N N 3 107.813 107.813 106.535 1.278 18822
5 1 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.022 1.798 18822
6 1 . 1 1 3 3 GLY H H 3 8.410 8.410 7.807 0.603 18822
7 1 . 1 1 4 4 MET N N 4 120.990 120.990 121.639 -0.649 18822
8 1 . 1 1 4 4 MET HA H 4 4.237 4.237 4.434 -0.197 18822
9 1 . 1 1 4 4 MET CA C 4 57.960 57.960 56.507 1.453 18822
10 1 . 1 1 4 4 MET H H 4 8.039 8.039 8.154 -0.115 18822
11 1 . 1 1 5 5 GLY N N 5 106.894 106.894 105.800 1.094 18822
12 1 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.065 1.625 18822
13 1 . 1 1 5 5 GLY H H 5 8.199 8.199 8.424 -0.225 18822
14 1 . 1 1 6 6 VAL N N 6 115.379 115.379 119.640 -4.261 18822
15 1 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.079 -0.325 18822
16 1 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.251 2.219 18822
17 1 . 1 1 6 6 VAL H H 6 8.268 8.268 7.435 0.833 18822
18 1 . 1 1 7 7 THR N N 7 115.692 115.692 116.239 -0.546 18822
19 1 . 1 1 7 7 THR HA H 7 3.964 3.964 4.082 -0.118 18822
20 1 . 1 1 7 7 THR CA C 7 68.370 68.370 65.660 2.710 18822
21 1 . 1 1 7 7 THR H H 7 7.706 7.706 7.749 -0.043 18822
22 1 . 1 1 8 8 TYR N N 8 120.854 120.854 121.389 -0.535 18822
23 1 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.314 -0.105 18822
24 1 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.871 0.799 18822
25 1 . 1 1 8 8 TYR H H 8 8.100 8.100 7.801 0.299 18822
26 1 . 1 1 9 9 LEU N N 9 117.686 117.686 116.613 1.073 18822
27 1 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.420 -0.455 18822
28 1 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.050 3.040 18822
29 1 . 1 1 9 9 LEU H H 9 8.006 8.006 7.559 0.447 18822
30 1 . 1 1 10 10 ALA N N 10 121.286 121.286 123.106 -1.820 18822
31 1 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.360 -0.288 18822
32 1 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.105 0.355 18822
33 1 . 1 1 10 10 ALA H H 10 8.320 8.320 7.966 0.354 18822
34 1 . 1 1 11 11 LEU N N 11 119.311 119.311 118.982 0.329 18822
35 1 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.169 -0.116 18822
36 1 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.414 4.076 18822
37 1 . 1 1 11 11 LEU H H 11 8.158 8.158 7.497 0.661 18822
38 1 . 1 1 12 12 LEU N N 12 119.405 119.405 118.381 1.024 18822
39 1 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.152 -0.173 18822
40 1 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.227 1.863 18822
41 1 . 1 1 12 12 LEU H H 12 8.211 8.211 7.744 0.467 18822
42 1 . 1 1 13 13 ALA N N 13 120.690 120.690 120.859 -0.169 18822
43 1 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.352 -0.356 18822
44 1 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.679 1.381 18822
45 1 . 1 1 13 13 ALA H H 13 8.353 8.353 7.826 0.527 18822
46 1 . 1 1 14 14 ALA N N 14 119.292 119.292 122.240 -2.948 18822
47 1 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.066 -0.059 18822
48 1 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.434 0.636 18822
49 1 . 1 1 14 14 ALA H H 14 8.140 8.140 7.694 0.446 18822
50 1 . 1 1 15 15 PHE N N 15 119.448 119.448 118.460 0.988 18822
51 1 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.303 0.049 18822
52 1 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.239 -0.169 18822
53 1 . 1 1 15 15 PHE H H 15 8.272 8.272 8.069 0.203 18822
54 1 . 1 1 16 16 LYS N N 16 116.153 116.153 120.347 -4.194 18822
55 1 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.156 0.106 18822
56 1 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.726 -1.836 18822
57 1 . 1 1 16 16 LYS H H 16 7.959 7.959 8.171 -0.212 18822
58 1 . 1 1 17 17 VAL N N 17 116.676 116.676 116.368 0.308 18822
59 1 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.194 -0.193 18822
60 1 . 1 1 17 17 VAL CA C 17 63.540 63.540 62.306 1.234 18822
61 1 . 1 1 17 17 VAL H H 17 7.991 7.991 7.915 0.076 18822
62 1 . 1 1 18 18 ARG N N 18 120.422 120.422 121.860 -1.438 18822
63 1 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.318 0.096 18822
64 1 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.566 -0.536 18822
65 1 . 1 1 18 18 ARG H H 18 8.075 8.075 7.857 0.218 18822
66 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.566 -0.196 18822
67 1 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.860 0.380 18822
68 1 . 1 1 20 20 THR N N 20 111.614 111.614 115.861 -4.247 18822
69 1 . 1 1 20 20 THR HA H 20 4.254 4.254 4.075 0.179 18822
70 1 . 1 1 20 20 THR CA C 20 63.960 63.960 66.473 -2.513 18822
71 1 . 1 1 20 20 THR H H 20 7.520 7.520 8.085 -0.566 18822
72 1 . 1 1 21 21 PHE N N 21 121.158 121.158 121.617 -0.459 18822
73 1 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.174 0.207 18822
74 1 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.381 -1.491 18822
75 1 . 1 1 21 21 PHE H H 21 8.065 8.065 7.699 0.366 18822
76 1 . 1 1 22 22 ALA N N 22 120.586 120.586 119.884 0.702 18822
77 1 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.153 -0.126 18822
78 1 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.210 0.420 18822
79 1 . 1 1 22 22 ALA H H 22 8.161 8.161 7.964 0.197 18822
80 1 . 1 1 23 23 ALA N N 23 118.530 118.530 122.318 -3.788 18822
81 1 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.172 -0.137 18822
82 1 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.558 0.162 18822
83 1 . 1 1 23 23 ALA H H 23 7.955 7.955 8.418 -0.463 18822
84 1 . 1 1 24 24 GLY N N 24 103.400 103.400 104.959 -1.559 18822
85 1 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.350 2.300 18822
86 1 . 1 1 24 24 GLY H H 24 7.990 7.990 7.757 0.233 18822
87 1 . 1 1 25 25 LEU N N 25 118.196 118.196 119.386 -1.191 18822
88 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.131 0.023 18822
89 1 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.950 -0.400 18822
90 1 . 1 1 25 25 LEU H H 25 7.650 7.650 7.139 0.511 18822
91 1 . 1 1 26 26 LEU N N 26 116.901 116.901 118.922 -2.021 18822
92 1 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.146 0.110 18822
93 1 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.228 -0.498 18822
94 1 . 1 1 26 26 LEU H H 26 7.638 7.638 7.623 0.015 18822
95 1 . 1 1 27 27 LEU N N 27 117.617 117.617 120.798 -3.181 18822
96 1 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.262 0.076 18822
97 1 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.269 -0.319 18822
98 1 . 1 1 27 27 LEU H H 27 7.673 7.673 7.909 -0.236 18822
stop_
save_