data_19855
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19855
_Entry.PDB_ID 2MMI
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 19855
_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 SER N N 2 139.648 139.648 116.024 23.624 19855
2 1 1 . 1 1 2 2 SER C C 2 174.804 174.804 174.213 0.591 19855
3 1 1 . 1 1 2 2 SER CB C 2 63.961 63.961 64.773 -0.812 19855
4 1 1 . 1 1 2 2 SER H H 2 8.157 8.157 8.206 -0.049 19855
5 1 1 . 1 1 3 3 THR N N 3 137.305 137.305 119.577 17.728 19855
6 1 1 . 1 1 3 3 THR C C 3 174.266 174.266 173.158 1.108 19855
7 1 1 . 1 1 3 3 THR CB C 3 70.406 70.406 68.330 2.076 19855
8 1 1 . 1 1 3 3 THR H H 3 7.531 7.531 8.413 -0.882 19855
9 1 1 . 1 1 4 4 ALA N N 4 137.305 137.305 130.113 7.192 19855
10 1 1 . 1 1 4 4 ALA C C 4 177.557 177.557 176.458 1.099 19855
11 1 1 . 1 1 4 4 ALA CB C 4 20.601 20.601 20.523 0.078 19855
12 1 1 . 1 1 4 4 ALA H H 4 6.807 6.807 8.082 -1.275 19855
13 1 1 . 1 1 5 5 MET N N 5 137.109 137.109 121.342 15.767 19855
14 1 1 . 1 1 5 5 MET C C 5 175.910 175.910 176.480 -0.570 19855
15 1 1 . 1 1 5 5 MET CB C 5 33.199 33.199 31.078 2.121 19855
16 1 1 . 1 1 5 5 MET H H 5 5.242 5.242 8.618 -3.376 19855
17 1 1 . 1 1 6 6 ALA N N 6 136.914 136.914 126.225 10.689 19855
18 1 1 . 1 1 6 6 ALA C C 6 177.841 177.841 176.809 1.032 19855
19 1 1 . 1 1 6 6 ALA CB C 6 21.187 21.187 16.811 4.376 19855
20 1 1 . 1 1 6 6 ALA H H 6 5.223 5.223 8.890 -3.667 19855
21 1 1 . 1 1 7 7 THR N N 7 113.281 113.281 108.172 5.109 19855
22 1 1 . 1 1 7 7 THR C C 7 174.783 174.783 174.290 0.493 19855
23 1 1 . 1 1 7 7 THR CB C 7 69.234 69.234 67.182 2.052 19855
24 1 1 . 1 1 7 7 THR H H 7 5.233 5.233 8.051 -2.818 19855
25 1 1 . 1 1 8 8 THR N N 8 134.375 134.375 116.155 18.220 19855
26 1 1 . 1 1 8 8 THR C C 8 176.149 176.149 174.767 1.382 19855
27 1 1 . 1 1 8 8 THR CB C 8 70.113 70.113 69.610 0.503 19855
28 1 1 . 1 1 8 8 THR H H 8 8.381 8.381 7.721 0.660 19855
29 1 1 . 1 1 9 9 MET N N 9 132.812 132.812 124.730 8.082 19855
30 1 1 . 1 1 9 9 MET C C 9 176.317 176.317 176.751 -0.434 19855
31 1 1 . 1 1 9 9 MET CB C 9 32.320 32.320 33.063 -0.743 19855
32 1 1 . 1 1 9 9 MET H H 9 5.252 5.252 8.332 -3.080 19855
33 1 1 . 1 1 10 10 GLU N N 10 139.844 139.844 124.490 15.354 19855
34 1 1 . 1 1 10 10 GLU C C 10 176.344 176.344 176.642 -0.298 19855
35 1 1 . 1 1 10 10 GLU CB C 10 30.269 30.269 29.825 0.444 19855
36 1 1 . 1 1 10 10 GLU H H 10 5.673 5.673 8.748 -3.075 19855
37 1 1 . 1 1 11 11 GLN N N 11 134.961 134.961 118.879 16.082 19855
38 1 1 . 1 1 11 11 GLN C C 11 175.611 175.611 175.554 0.057 19855
39 1 1 . 1 1 11 11 GLN CB C 11 29.683 29.683 29.251 0.432 19855
40 1 1 . 1 1 11 11 GLN H H 11 8.538 8.538 7.835 0.703 19855
41 1 1 . 1 1 12 12 GLU N N 12 117.969 117.969 120.929 -2.960 19855
42 1 1 . 1 1 12 12 GLU C C 12 175.333 175.333 176.098 -0.765 19855
43 1 1 . 1 1 12 12 GLU CB C 12 33.785 33.785 28.394 5.391 19855
44 1 1 . 1 1 12 12 GLU H H 12 5.193 5.193 8.758 -3.565 19855
45 1 1 . 1 1 13 13 ILE N N 13 90.234 90.234 118.892 -28.658 19855
46 1 1 . 1 1 13 13 ILE C C 13 175.997 175.997 176.381 -0.384 19855
47 1 1 . 1 1 13 13 ILE CB C 13 41.109 41.109 37.889 3.220 19855
48 1 1 . 1 1 13 13 ILE H H 13 6.817 6.817 7.806 -0.989 19855
49 1 1 . 1 1 14 14 CYS N N 14 90.625 90.625 121.599 -30.974 19855
50 1 1 . 1 1 14 14 CYS C C 14 177.200 177.200 175.780 1.420 19855
51 1 1 . 1 1 14 14 CYS CB C 14 33.492 33.492 29.765 3.728 19855
52 1 1 . 1 1 14 14 CYS H H 14 8.235 8.235 8.035 0.200 19855
53 1 1 . 1 1 15 15 ALA N N 15 91.016 91.016 128.747 -37.731 19855
54 1 1 . 1 1 15 15 ALA C C 15 177.920 177.920 178.469 -0.549 19855
55 1 1 . 1 1 15 15 ALA CB C 15 19.136 19.136 19.192 -0.056 19855
56 1 1 . 1 1 15 15 ALA H H 15 8.274 8.274 8.721 -0.447 19855
57 1 1 . 1 1 16 16 HIS N N 16 91.406 91.406 114.720 -23.314 19855
58 1 1 . 1 1 16 16 HIS C C 16 174.638 174.638 175.997 -1.359 19855
59 1 1 . 1 1 16 16 HIS CB C 16 28.511 28.511 30.581 -2.070 19855
60 1 1 . 1 1 16 16 HIS H H 16 8.411 8.411 8.261 0.150 19855
61 1 1 . 1 1 17 17 SER N N 17 112.891 112.891 108.164 4.727 19855
62 1 1 . 1 1 17 17 SER C C 17 172.992 172.992 173.788 -0.796 19855
63 1 1 . 1 1 17 17 SER CB C 17 62.496 62.496 63.365 -0.869 19855
64 1 1 . 1 1 17 17 SER H H 17 5.370 5.370 8.163 -2.793 19855
65 1 1 . 1 1 18 18 MET N N 18 104.492 104.492 122.533 -18.041 19855
66 1 1 . 1 1 18 18 MET C C 18 174.174 174.174 176.187 -2.013 19855
67 1 1 . 1 1 18 18 MET CB C 18 37.007 37.007 34.148 2.858 19855
68 1 1 . 1 1 18 18 MET H H 18 10.103 10.103 7.416 2.687 19855
69 1 1 . 1 1 19 19 THR N N 19 104.297 104.297 114.007 -9.710 19855
70 1 1 . 1 1 19 19 THR C C 19 174.626 174.626 174.539 0.087 19855
71 1 1 . 1 1 19 19 THR CB C 19 70.406 70.406 69.541 0.865 19855
72 1 1 . 1 1 19 19 THR H H 19 10.073 10.073 8.255 1.818 19855
73 1 1 . 1 1 20 20 PHE N N 20 104.297 104.297 122.973 -18.676 19855
74 1 1 . 1 1 20 20 PHE C C 20 177.239 177.239 177.486 -0.247 19855
75 1 1 . 1 1 20 20 PHE CB C 20 39.351 39.351 39.480 -0.129 19855
76 1 1 . 1 1 20 20 PHE H H 20 5.536 5.536 9.002 -3.466 19855
77 1 1 . 1 1 21 21 GLU N N 21 104.297 104.297 120.830 -16.533 19855
78 1 1 . 1 1 21 21 GLU C C 21 177.414 177.414 176.740 0.674 19855
79 1 1 . 1 1 21 21 GLU CB C 21 30.562 30.562 29.016 1.546 19855
80 1 1 . 1 1 21 21 GLU H H 21 5.418 5.418 9.018 -3.600 19855
81 1 1 . 1 1 22 22 GLU N N 22 104.102 104.102 117.038 -12.936 19855
82 1 1 . 1 1 22 22 GLU C C 22 175.998 175.998 176.345 -0.347 19855
83 1 1 . 1 1 22 22 GLU CB C 22 31.148 31.148 27.845 3.303 19855
84 1 1 . 1 1 22 22 GLU H H 22 5.233 5.233 8.312 -3.079 19855
85 1 1 . 1 1 23 23 CYS N N 23 104.102 104.102 119.437 -15.335 19855
86 1 1 . 1 1 23 23 CYS CB C 23 29.976 29.976 26.457 3.519 19855
87 1 1 . 1 1 23 23 CYS H H 23 4.988 4.988 7.370 -2.382 19855
88 1 1 . 1 1 24 24 PRO C C 24 177.793 177.793 178.229 -0.436 19855
89 1 1 . 1 1 24 24 PRO CB C 24 34.664 34.664 31.071 3.593 19855
90 1 1 . 1 1 25 25 LYS N N 25 102.539 102.539 118.633 -16.094 19855
91 1 1 . 1 1 25 25 LYS C C 25 178.891 178.891 179.078 -0.187 19855
92 1 1 . 1 1 25 25 LYS CB C 25 34.664 34.664 31.944 2.720 19855
93 1 1 . 1 1 25 25 LYS H H 25 8.069 8.069 7.780 0.289 19855
94 1 1 . 1 1 26 26 CYS N N 26 102.539 102.539 118.613 -16.074 19855
95 1 1 . 1 1 26 26 CYS C C 26 177.188 177.188 175.940 1.248 19855
96 1 1 . 1 1 26 26 CYS CB C 26 30.562 30.562 27.421 3.141 19855
97 1 1 . 1 1 26 26 CYS H H 26 5.184 5.184 7.718 -2.534 19855
98 1 1 . 1 1 27 27 SER N N 27 113.867 113.867 113.994 -0.127 19855
99 1 1 . 1 1 27 27 SER H H 27 5.438 5.438 7.433 -1.995 19855
100 1 1 . 1 1 28 28 ALA N N 28 123.437 123.437 123.543 -0.106 19855
101 1 1 . 1 1 28 28 ALA C C 28 178.400 178.400 177.246 1.154 19855
102 1 1 . 1 1 28 28 ALA CB C 28 17.379 17.379 19.785 -2.406 19855
103 1 1 . 1 1 28 28 ALA H H 28 5.673 5.673 7.330 -1.657 19855
104 1 1 . 1 1 29 29 LEU N N 29 101.758 101.758 122.918 -21.160 19855
105 1 1 . 1 1 29 29 LEU C C 29 177.715 177.715 177.944 -0.229 19855
106 1 1 . 1 1 29 29 LEU CB C 29 43.160 43.160 41.589 1.571 19855
107 1 1 . 1 1 29 29 LEU H H 29 7.971 7.971 8.353 -0.382 19855
108 1 1 . 1 1 30 30 GLN N N 30 101.563 101.563 119.795 -18.232 19855
109 1 1 . 1 1 30 30 GLN C C 30 175.829 175.829 176.797 -0.968 19855
110 1 1 . 1 1 30 30 GLN CB C 30 30.562 30.562 28.313 2.249 19855
111 1 1 . 1 1 30 30 GLN H H 30 7.892 7.892 8.337 -0.445 19855
112 1 1 . 1 1 31 31 TYR N N 31 100.977 100.977 114.428 -13.451 19855
113 1 1 . 1 1 31 31 TYR C C 31 176.074 176.074 177.178 -1.104 19855
114 1 1 . 1 1 31 31 TYR CB C 31 41.402 41.402 37.641 3.761 19855
115 1 1 . 1 1 31 31 TYR H H 31 8.117 8.117 8.157 -0.040 19855
116 1 1 . 1 1 32 32 ARG N N 32 100.391 100.391 118.241 -17.850 19855
117 1 1 . 1 1 32 32 ARG C C 32 175.924 175.924 176.326 -0.402 19855
118 1 1 . 1 1 32 32 ARG CB C 32 31.441 31.441 29.913 1.528 19855
119 1 1 . 1 1 32 32 ARG H H 32 7.961 7.961 6.875 1.086 19855
120 1 1 . 1 1 33 33 ASN N N 33 100.391 100.391 115.999 -15.608 19855
121 1 1 . 1 1 33 33 ASN C C 33 175.488 175.488 175.994 -0.506 19855
122 1 1 . 1 1 33 33 ASN CB C 33 38.472 38.472 38.918 -0.446 19855
123 1 1 . 1 1 33 33 ASN H H 33 5.301 5.301 7.509 -2.208 19855
124 1 1 . 1 1 34 34 GLY N N 34 100.195 100.195 107.548 -7.353 19855
125 1 1 . 1 1 34 34 GLY C C 34 173.894 173.894 173.345 0.549 19855
126 1 1 . 1 1 34 34 GLY H H 34 8.303 8.303 8.617 -0.314 19855
127 1 1 . 1 1 35 35 PHE N N 35 100.195 100.195 120.637 -20.442 19855
128 1 1 . 1 1 35 35 PHE C C 35 175.393 175.393 175.717 -0.324 19855
129 1 1 . 1 1 35 35 PHE CB C 35 42.281 42.281 41.341 0.940 19855
130 1 1 . 1 1 35 35 PHE H H 35 7.746 7.746 7.650 0.096 19855
131 1 1 . 1 1 36 36 TYR N N 36 100.195 100.195 122.861 -22.666 19855
132 1 1 . 1 1 36 36 TYR C C 36 175.157 175.157 174.701 0.456 19855
133 1 1 . 1 1 36 36 TYR CB C 36 42.867 42.867 37.811 5.056 19855
134 1 1 . 1 1 36 36 TYR H H 36 5.448 5.448 7.906 -2.458 19855
135 1 1 . 1 1 37 37 LEU N N 37 100.195 100.195 120.088 -19.893 19855
136 1 1 . 1 1 37 37 LEU C C 37 176.500 176.500 177.354 -0.854 19855
137 1 1 . 1 1 37 37 LEU CB C 37 46.675 46.675 43.800 2.875 19855
138 1 1 . 1 1 37 37 LEU H H 37 5.242 5.242 7.027 -1.785 19855
139 1 1 . 1 1 38 38 LEU N N 38 100.000 100.000 125.519 -25.519 19855
140 1 1 . 1 1 38 38 LEU C C 38 176.636 176.636 178.547 -1.911 19855
141 1 1 . 1 1 38 38 LEU CB C 38 49.605 49.605 41.945 7.660 19855
142 1 1 . 1 1 38 38 LEU H H 38 8.333 8.333 8.976 -0.643 19855
143 1 1 . 1 1 39 39 LYS N N 39 99.609 99.609 115.142 -15.533 19855
144 1 1 . 1 1 39 39 LYS C C 39 175.954 175.954 176.740 -0.786 19855
145 1 1 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.145 7.792 19855
146 1 1 . 1 1 39 39 LYS H H 39 8.372 8.372 8.024 0.348 19855
147 1 1 . 1 1 40 40 TYR N N 40 99.609 99.609 121.608 -21.999 19855
148 1 1 . 1 1 40 40 TYR CB C 40 44.332 44.332 39.369 4.963 19855
149 1 1 . 1 1 40 40 TYR H H 40 8.137 8.137 7.424 0.713 19855
150 1 1 . 1 1 41 41 ASP N N 41 99.023 99.023 127.254 -28.231 19855
151 1 1 . 1 1 41 41 ASP C C 41 176.291 176.291 174.789 1.502 19855
152 1 1 . 1 1 41 41 ASP CB C 41 51.949 51.949 40.815 11.134 19855
153 1 1 . 1 1 41 41 ASP H H 41 8.254 8.254 7.453 0.801 19855
154 1 1 . 1 1 42 42 GLU N N 42 120.703 120.703 124.127 -3.424 19855
155 1 1 . 1 1 42 42 GLU C C 42 176.561 176.561 175.416 1.145 19855
156 1 1 . 1 1 42 42 GLU CB C 42 30.562 30.562 31.512 -0.950 19855
157 1 1 . 1 1 42 42 GLU H H 42 13.877 13.877 7.846 6.031 19855
158 1 1 . 1 1 43 43 GLU N N 43 98.828 98.828 120.347 -21.519 19855
159 1 1 . 1 1 43 43 GLU C C 43 176.291 176.291 176.243 0.048 19855
160 1 1 . 1 1 43 43 GLU CB C 43 37.300 37.300 29.940 7.360 19855
161 1 1 . 1 1 43 43 GLU H H 43 7.716 7.716 8.522 -0.806 19855
162 1 1 . 1 1 44 44 TRP N N 44 98.828 98.828 118.485 -19.657 19855
163 1 1 . 1 1 44 44 TRP C C 44 179.291 179.291 175.898 3.393 19855
164 1 1 . 1 1 44 44 TRP CB C 44 34.664 34.664 29.531 5.133 19855
165 1 1 . 1 1 44 44 TRP H H 44 5.497 5.497 7.455 -1.958 19855
166 1 1 . 1 1 45 45 TYR N N 45 98.633 98.633 121.871 -23.238 19855
167 1 1 . 1 1 45 45 TYR CB C 45 45.504 45.504 37.856 7.648 19855
168 1 1 . 1 1 45 45 TYR H H 45 8.597 8.597 8.890 -0.293 19855
169 1 1 . 1 1 46 46 PRO C C 46 176.789 176.789 176.592 0.197 19855
170 1 1 . 1 1 46 46 PRO CB C 46 33.492 33.492 32.094 1.398 19855
171 1 1 . 1 1 47 47 GLU N N 47 98.438 98.438 119.082 -20.644 19855
172 1 1 . 1 1 47 47 GLU CB C 47 27.047 27.047 30.129 -3.082 19855
173 1 1 . 1 1 47 47 GLU H H 47 8.235 8.235 8.013 0.222 19855
174 1 1 . 1 1 48 48 GLU N N 48 97.656 97.656 124.776 -27.120 19855
175 1 1 . 1 1 48 48 GLU H H 48 8.391 8.391 8.243 0.148 19855
176 1 1 . 1 1 49 49 LEU N N 49 97.656 97.656 126.693 -29.037 19855
177 1 1 . 1 1 49 49 LEU C C 49 176.939 176.939 177.654 -0.715 19855
178 1 1 . 1 1 49 49 LEU CB C 49 43.160 43.160 42.068 1.092 19855
179 1 1 . 1 1 49 49 LEU H H 49 8.215 8.215 8.766 -0.551 19855
180 1 1 . 1 1 50 50 LEU N N 50 97.266 97.266 117.320 -20.054 19855
181 1 1 . 1 1 50 50 LEU C C 50 177.384 177.384 176.984 0.400 19855
182 1 1 . 1 1 50 50 LEU CB C 50 43.160 43.160 41.727 1.433 19855
183 1 1 . 1 1 50 50 LEU H H 50 8.000 8.000 7.998 0.002 19855
184 1 1 . 1 1 51 51 THR N N 51 114.062 114.062 107.655 6.407 19855
185 1 1 . 1 1 51 51 THR C C 51 174.158 174.158 173.738 0.420 19855
186 1 1 . 1 1 51 51 THR CB C 51 73.922 73.922 68.224 5.698 19855
187 1 1 . 1 1 51 51 THR H H 51 5.184 5.184 7.660 -2.476 19855
188 1 1 . 1 1 52 52 ASP N N 52 97.070 97.070 126.025 -28.955 19855
189 1 1 . 1 1 52 52 ASP C C 52 176.584 176.584 177.111 -0.527 19855
190 1 1 . 1 1 52 52 ASP CB C 52 41.402 41.402 40.761 0.641 19855
191 1 1 . 1 1 52 52 ASP H H 52 8.108 8.108 7.890 0.218 19855
192 1 1 . 1 1 53 53 GLY N N 53 97.070 97.070 112.656 -15.586 19855
193 1 1 . 1 1 53 53 GLY C C 53 174.215 174.215 174.878 -0.663 19855
194 1 1 . 1 1 53 53 GLY H H 53 7.990 7.990 8.997 -1.007 19855
195 1 1 . 1 1 54 54 GLU N N 54 96.680 96.680 120.342 -23.662 19855
196 1 1 . 1 1 54 54 GLU C C 54 175.982 175.982 177.207 -1.225 19855
197 1 1 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.610 0.659 19855
198 1 1 . 1 1 54 54 GLU H H 54 7.726 7.726 8.318 -0.592 19855
199 1 1 . 1 1 55 55 ASP N N 55 96.484 96.484 118.420 -21.936 19855
200 1 1 . 1 1 55 55 ASP C C 55 175.857 175.857 176.171 -0.314 19855
201 1 1 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.975 5.993 19855
202 1 1 . 1 1 55 55 ASP H H 55 8.440 8.440 8.238 0.202 19855
203 1 1 . 1 1 56 56 ASP N N 56 96.484 96.484 116.494 -20.010 19855
204 1 1 . 1 1 56 56 ASP C C 56 175.795 175.795 175.612 0.183 19855
205 1 1 . 1 1 56 56 ASP CB C 56 40.816 40.816 40.166 0.650 19855
206 1 1 . 1 1 56 56 ASP H H 56 7.756 7.756 8.696 -0.940 19855
207 1 1 . 1 1 57 57 VAL N N 57 96.094 96.094 116.120 -20.026 19855
208 1 1 . 1 1 57 57 VAL C C 57 175.567 175.567 176.984 -1.417 19855
209 1 1 . 1 1 57 57 VAL CB C 57 33.199 33.199 32.776 0.423 19855
210 1 1 . 1 1 57 57 VAL H H 57 8.274 8.274 8.066 0.208 19855
211 1 1 . 1 1 58 58 PHE N N 58 96.094 96.094 116.849 -20.755 19855
212 1 1 . 1 1 58 58 PHE C C 58 174.537 174.537 176.528 -1.991 19855
213 1 1 . 1 1 58 58 PHE CB C 58 41.109 41.109 38.010 3.099 19855
214 1 1 . 1 1 58 58 PHE H H 58 5.262 5.262 8.313 -3.051 19855
215 1 1 . 1 1 59 59 ASP N N 59 95.898 95.898 119.939 -24.041 19855
216 1 1 . 1 1 59 59 ASP CB C 59 42.281 42.281 38.203 4.078 19855
217 1 1 . 1 1 59 59 ASP H H 59 8.411 8.411 7.903 0.508 19855
218 1 1 . 1 1 60 60 PRO C C 60 176.830 176.830 176.782 0.048 19855
219 1 1 . 1 1 60 60 PRO CB C 60 33.199 33.199 32.275 0.924 19855
220 1 1 . 1 1 61 61 ASP N N 61 95.508 95.508 118.408 -22.900 19855
221 1 1 . 1 1 61 61 ASP C C 61 176.348 176.348 174.730 1.618 19855
222 1 1 . 1 1 61 61 ASP CB C 61 39.644 39.644 39.442 0.202 19855
223 1 1 . 1 1 61 61 ASP H H 61 8.147 8.147 8.138 0.009 19855
224 1 1 . 1 1 62 62 LEU N N 62 95.313 95.313 120.453 -25.140 19855
225 1 1 . 1 1 62 62 LEU C C 62 177.087 177.087 175.146 1.941 19855
226 1 1 . 1 1 62 62 LEU CB C 62 43.746 43.746 43.690 0.056 19855
227 1 1 . 1 1 62 62 LEU H H 62 8.333 8.333 7.591 0.742 19855
228 1 1 . 1 1 63 63 ASP N N 63 95.313 95.313 127.055 -31.742 19855
229 1 1 . 1 1 63 63 ASP C C 63 176.075 176.075 174.864 1.211 19855
230 1 1 . 1 1 63 63 ASP CB C 63 41.988 41.988 42.055 -0.067 19855
231 1 1 . 1 1 63 63 ASP H H 63 8.127 8.127 8.612 -0.485 19855
232 1 1 . 1 1 64 64 MET N N 64 95.313 95.313 124.085 -28.772 19855
233 1 1 . 1 1 64 64 MET CB C 64 36.422 36.422 34.647 1.775 19855
234 1 1 . 1 1 64 64 MET H H 64 5.575 5.575 8.687 -3.112 19855
235 1 1 . 1 1 65 65 GLU N N 65 95.117 95.117 127.189 -32.072 19855
236 1 1 . 1 1 65 65 GLU C C 65 176.208 176.208 177.808 -1.600 19855
237 1 1 . 1 1 65 65 GLU CB C 65 32.027 32.027 29.259 2.768 19855
238 1 1 . 1 1 65 65 GLU H H 65 8.225 8.225 9.027 -0.802 19855
239 1 1 . 1 1 66 66 VAL N N 66 95.117 95.117 117.646 -22.529 19855
240 1 1 . 1 1 66 66 VAL C C 66 175.656 175.656 177.134 -1.478 19855
241 1 1 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.423 2.362 19855
242 1 1 . 1 1 66 66 VAL H H 66 8.010 8.010 8.108 -0.098 19855
243 1 1 . 1 1 67 67 VAL N N 67 94.922 94.922 116.506 -21.584 19855
244 1 1 . 1 1 67 67 VAL C C 67 175.643 175.643 177.335 -1.692 19855
245 1 1 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.953 2.125 19855
246 1 1 . 1 1 67 67 VAL H H 67 8.000 8.000 7.469 0.531 19855
247 1 1 . 1 1 68 68 PHE N N 68 94.531 94.531 116.322 -21.791 19855
248 1 1 . 1 1 68 68 PHE C C 68 175.499 175.499 176.764 -1.265 19855
249 1 1 . 1 1 68 68 PHE CB C 68 40.230 40.230 39.015 1.215 19855
250 1 1 . 1 1 68 68 PHE H H 68 7.912 7.912 7.424 0.488 19855
251 1 1 . 1 1 69 69 GLU N N 69 94.141 94.141 121.882 -27.741 19855
252 1 1 . 1 1 69 69 GLU C C 69 176.182 176.182 176.758 -0.576 19855
253 1 1 . 1 1 69 69 GLU CB C 69 29.976 29.976 27.943 2.033 19855
254 1 1 . 1 1 69 69 GLU H H 69 8.323 8.323 7.771 0.552 19855
255 1 1 . 1 1 70 70 THR N N 70 93.750 93.750 115.452 -21.702 19855
256 1 1 . 1 1 70 70 THR C C 70 173.695 173.695 175.113 -1.418 19855
257 1 1 . 1 1 70 70 THR CB C 70 69.820 69.820 69.453 0.367 19855
258 1 1 . 1 1 70 70 THR H H 70 8.284 8.284 8.249 0.035 19855
259 1 2 . 1 1 2 2 SER N N 2 139.648 139.648 116.909 22.739 19855
260 1 2 . 1 1 2 2 SER C C 2 174.804 174.804 173.927 0.877 19855
261 1 2 . 1 1 2 2 SER CB C 2 63.961 63.961 64.160 -0.199 19855
262 1 2 . 1 1 2 2 SER H H 2 8.157 8.157 7.814 0.343 19855
263 1 2 . 1 1 3 3 THR N N 3 137.305 137.305 118.284 19.021 19855
264 1 2 . 1 1 3 3 THR C C 3 174.266 174.266 173.585 0.681 19855
265 1 2 . 1 1 3 3 THR CB C 3 70.406 70.406 69.066 1.340 19855
266 1 2 . 1 1 3 3 THR H H 3 7.531 7.531 8.261 -0.730 19855
267 1 2 . 1 1 4 4 ALA N N 4 137.305 137.305 131.901 5.404 19855
268 1 2 . 1 1 4 4 ALA C C 4 177.557 177.557 176.809 0.748 19855
269 1 2 . 1 1 4 4 ALA CB C 4 20.601 20.601 20.409 0.192 19855
270 1 2 . 1 1 4 4 ALA H H 4 6.807 6.807 8.274 -1.467 19855
271 1 2 . 1 1 5 5 MET N N 5 137.109 137.109 123.526 13.583 19855
272 1 2 . 1 1 5 5 MET C C 5 175.910 175.910 176.563 -0.653 19855
273 1 2 . 1 1 5 5 MET CB C 5 33.199 33.199 31.814 1.385 19855
274 1 2 . 1 1 5 5 MET H H 5 5.242 5.242 8.576 -3.334 19855
275 1 2 . 1 1 6 6 ALA N N 6 136.914 136.914 123.114 13.800 19855
276 1 2 . 1 1 6 6 ALA C C 6 177.841 177.841 176.744 1.097 19855
277 1 2 . 1 1 6 6 ALA CB C 6 21.187 21.187 16.948 4.239 19855
278 1 2 . 1 1 6 6 ALA H H 6 5.223 5.223 8.817 -3.594 19855
279 1 2 . 1 1 7 7 THR N N 7 113.281 113.281 107.644 5.637 19855
280 1 2 . 1 1 7 7 THR C C 7 174.783 174.783 175.051 -0.268 19855
281 1 2 . 1 1 7 7 THR CB C 7 69.234 69.234 67.316 1.918 19855
282 1 2 . 1 1 7 7 THR H H 7 5.233 5.233 8.026 -2.793 19855
283 1 2 . 1 1 8 8 THR N N 8 134.375 134.375 114.865 19.510 19855
284 1 2 . 1 1 8 8 THR C C 8 176.149 176.149 175.615 0.534 19855
285 1 2 . 1 1 8 8 THR CB C 8 70.113 70.113 68.816 1.297 19855
286 1 2 . 1 1 8 8 THR H H 8 8.381 8.381 8.031 0.350 19855
287 1 2 . 1 1 9 9 MET N N 9 132.812 132.812 119.296 13.516 19855
288 1 2 . 1 1 9 9 MET C C 9 176.317 176.317 176.413 -0.096 19855
289 1 2 . 1 1 9 9 MET CB C 9 32.320 32.320 32.507 -0.187 19855
290 1 2 . 1 1 9 9 MET H H 9 5.252 5.252 8.094 -2.842 19855
291 1 2 . 1 1 10 10 GLU N N 10 139.844 139.844 114.404 25.440 19855
292 1 2 . 1 1 10 10 GLU C C 10 176.344 176.344 176.336 0.008 19855
293 1 2 . 1 1 10 10 GLU CB C 10 30.269 30.269 27.827 2.442 19855
294 1 2 . 1 1 10 10 GLU H H 10 5.673 5.673 8.723 -3.050 19855
295 1 2 . 1 1 11 11 GLN N N 11 134.961 134.961 121.405 13.556 19855
296 1 2 . 1 1 11 11 GLN C C 11 175.611 175.611 175.688 -0.077 19855
297 1 2 . 1 1 11 11 GLN CB C 11 29.683 29.683 28.802 0.881 19855
298 1 2 . 1 1 11 11 GLN H H 11 8.538 8.538 7.810 0.728 19855
299 1 2 . 1 1 12 12 GLU N N 12 117.969 117.969 118.648 -0.679 19855
300 1 2 . 1 1 12 12 GLU C C 12 175.333 175.333 174.885 0.448 19855
301 1 2 . 1 1 12 12 GLU CB C 12 33.785 33.785 28.162 5.623 19855
302 1 2 . 1 1 12 12 GLU H H 12 5.193 5.193 8.769 -3.576 19855
303 1 2 . 1 1 13 13 ILE N N 13 90.234 90.234 111.787 -21.553 19855
304 1 2 . 1 1 13 13 ILE C C 13 175.997 175.997 174.305 1.692 19855
305 1 2 . 1 1 13 13 ILE CB C 13 41.109 41.109 40.214 0.895 19855
306 1 2 . 1 1 13 13 ILE H H 13 6.817 6.817 7.400 -0.583 19855
307 1 2 . 1 1 14 14 CYS N N 14 90.625 90.625 121.776 -31.151 19855
308 1 2 . 1 1 14 14 CYS C C 14 177.200 177.200 175.599 1.601 19855
309 1 2 . 1 1 14 14 CYS CB C 14 33.492 33.492 31.307 2.185 19855
310 1 2 . 1 1 14 14 CYS H H 14 8.235 8.235 8.432 -0.197 19855
311 1 2 . 1 1 15 15 ALA N N 15 91.016 91.016 123.338 -32.322 19855
312 1 2 . 1 1 15 15 ALA C C 15 177.920 177.920 177.998 -0.078 19855
313 1 2 . 1 1 15 15 ALA CB C 15 19.136 19.136 18.794 0.342 19855
314 1 2 . 1 1 15 15 ALA H H 15 8.274 8.274 8.533 -0.259 19855
315 1 2 . 1 1 16 16 HIS N N 16 91.406 91.406 116.275 -24.869 19855
316 1 2 . 1 1 16 16 HIS C C 16 174.638 174.638 175.926 -1.288 19855
317 1 2 . 1 1 16 16 HIS CB C 16 28.511 28.511 31.250 -2.739 19855
318 1 2 . 1 1 16 16 HIS H H 16 8.411 8.411 8.079 0.332 19855
319 1 2 . 1 1 17 17 SER N N 17 112.891 112.891 113.959 -1.068 19855
320 1 2 . 1 1 17 17 SER C C 17 172.992 172.992 174.777 -1.785 19855
321 1 2 . 1 1 17 17 SER CB C 17 62.496 62.496 65.618 -3.122 19855
322 1 2 . 1 1 17 17 SER H H 17 5.370 5.370 8.353 -2.983 19855
323 1 2 . 1 1 18 18 MET N N 18 104.492 104.492 121.928 -17.436 19855
324 1 2 . 1 1 18 18 MET C C 18 174.174 174.174 176.633 -2.459 19855
325 1 2 . 1 1 18 18 MET CB C 18 37.007 37.007 34.441 2.566 19855
326 1 2 . 1 1 18 18 MET H H 18 10.103 10.103 7.756 2.347 19855
327 1 2 . 1 1 19 19 THR N N 19 104.297 104.297 113.035 -8.738 19855
328 1 2 . 1 1 19 19 THR C C 19 174.626 174.626 176.445 -1.819 19855
329 1 2 . 1 1 19 19 THR CB C 19 70.406 70.406 70.048 0.358 19855
330 1 2 . 1 1 19 19 THR H H 19 10.073 10.073 7.990 2.083 19855
331 1 2 . 1 1 20 20 PHE N N 20 104.297 104.297 121.365 -17.068 19855
332 1 2 . 1 1 20 20 PHE C C 20 177.239 177.239 178.246 -1.007 19855
333 1 2 . 1 1 20 20 PHE CB C 20 39.351 39.351 38.447 0.905 19855
334 1 2 . 1 1 20 20 PHE H H 20 5.536 5.536 8.665 -3.129 19855
335 1 2 . 1 1 21 21 GLU N N 21 104.297 104.297 118.951 -14.654 19855
336 1 2 . 1 1 21 21 GLU C C 21 177.414 177.414 177.719 -0.305 19855
337 1 2 . 1 1 21 21 GLU CB C 21 30.562 30.562 29.134 1.428 19855
338 1 2 . 1 1 21 21 GLU H H 21 5.418 5.418 8.758 -3.340 19855
339 1 2 . 1 1 22 22 GLU N N 22 104.102 104.102 117.276 -13.174 19855
340 1 2 . 1 1 22 22 GLU C C 22 175.998 175.998 177.375 -1.377 19855
341 1 2 . 1 1 22 22 GLU CB C 22 31.148 31.148 29.531 1.617 19855
342 1 2 . 1 1 22 22 GLU H H 22 5.233 5.233 7.685 -2.452 19855
343 1 2 . 1 1 23 23 CYS N N 23 104.102 104.102 119.340 -15.238 19855
344 1 2 . 1 1 23 23 CYS CB C 23 29.976 29.976 25.854 4.122 19855
345 1 2 . 1 1 23 23 CYS H H 23 4.988 4.988 7.721 -2.733 19855
346 1 2 . 1 1 24 24 PRO C C 24 177.793 177.793 177.513 0.280 19855
347 1 2 . 1 1 24 24 PRO CB C 24 34.664 34.664 30.881 3.783 19855
348 1 2 . 1 1 25 25 LYS N N 25 102.539 102.539 117.843 -15.304 19855
349 1 2 . 1 1 25 25 LYS C C 25 178.891 178.891 178.017 0.874 19855
350 1 2 . 1 1 25 25 LYS CB C 25 34.664 34.664 32.160 2.504 19855
351 1 2 . 1 1 25 25 LYS H H 25 8.069 8.069 7.283 0.786 19855
352 1 2 . 1 1 26 26 CYS N N 26 102.539 102.539 115.921 -13.382 19855
353 1 2 . 1 1 26 26 CYS C C 26 177.188 177.188 175.096 2.092 19855
354 1 2 . 1 1 26 26 CYS CB C 26 30.562 30.562 28.226 2.336 19855
355 1 2 . 1 1 26 26 CYS H H 26 5.184 5.184 7.641 -2.457 19855
356 1 2 . 1 1 27 27 SER N N 27 113.867 113.867 114.049 -0.182 19855
357 1 2 . 1 1 27 27 SER H H 27 5.438 5.438 7.683 -2.245 19855
358 1 2 . 1 1 28 28 ALA N N 28 123.437 123.437 125.227 -1.790 19855
359 1 2 . 1 1 28 28 ALA C C 28 178.400 178.400 177.462 0.938 19855
360 1 2 . 1 1 28 28 ALA CB C 28 17.379 17.379 17.288 0.091 19855
361 1 2 . 1 1 28 28 ALA H H 28 5.673 5.673 8.694 -3.021 19855
362 1 2 . 1 1 29 29 LEU N N 29 101.758 101.758 122.359 -20.601 19855
363 1 2 . 1 1 29 29 LEU C C 29 177.715 177.715 176.977 0.738 19855
364 1 2 . 1 1 29 29 LEU CB C 29 43.160 43.160 39.707 3.453 19855
365 1 2 . 1 1 29 29 LEU H H 29 7.971 7.971 8.007 -0.036 19855
366 1 2 . 1 1 30 30 GLN N N 30 101.563 101.563 122.607 -21.044 19855
367 1 2 . 1 1 30 30 GLN C C 30 175.829 175.829 176.559 -0.730 19855
368 1 2 . 1 1 30 30 GLN CB C 30 30.562 30.562 28.830 1.732 19855
369 1 2 . 1 1 30 30 GLN H H 30 7.892 7.892 8.050 -0.158 19855
370 1 2 . 1 1 31 31 TYR N N 31 100.977 100.977 115.746 -14.769 19855
371 1 2 . 1 1 31 31 TYR C C 31 176.074 176.074 176.595 -0.521 19855
372 1 2 . 1 1 31 31 TYR CB C 31 41.402 41.402 38.284 3.118 19855
373 1 2 . 1 1 31 31 TYR H H 31 8.117 8.117 8.674 -0.557 19855
374 1 2 . 1 1 32 32 ARG N N 32 100.391 100.391 117.896 -17.505 19855
375 1 2 . 1 1 32 32 ARG C C 32 175.924 175.924 176.663 -0.739 19855
376 1 2 . 1 1 32 32 ARG CB C 32 31.441 31.441 30.943 0.498 19855
377 1 2 . 1 1 32 32 ARG H H 32 7.961 7.961 8.171 -0.210 19855
378 1 2 . 1 1 33 33 ASN N N 33 100.391 100.391 117.118 -16.727 19855
379 1 2 . 1 1 33 33 ASN C C 33 175.488 175.488 175.600 -0.112 19855
380 1 2 . 1 1 33 33 ASN CB C 33 38.472 38.472 39.117 -0.645 19855
381 1 2 . 1 1 33 33 ASN H H 33 5.301 5.301 7.754 -2.453 19855
382 1 2 . 1 1 34 34 GLY N N 34 100.195 100.195 107.660 -7.465 19855
383 1 2 . 1 1 34 34 GLY C C 34 173.894 173.894 173.753 0.141 19855
384 1 2 . 1 1 34 34 GLY H H 34 8.303 8.303 8.686 -0.383 19855
385 1 2 . 1 1 35 35 PHE N N 35 100.195 100.195 119.255 -19.060 19855
386 1 2 . 1 1 35 35 PHE C C 35 175.393 175.393 175.136 0.257 19855
387 1 2 . 1 1 35 35 PHE CB C 35 42.281 42.281 42.062 0.219 19855
388 1 2 . 1 1 35 35 PHE H H 35 7.746 7.746 7.484 0.263 19855
389 1 2 . 1 1 36 36 TYR N N 36 100.195 100.195 120.283 -20.088 19855
390 1 2 . 1 1 36 36 TYR C C 36 175.157 175.157 174.964 0.193 19855
391 1 2 . 1 1 36 36 TYR CB C 36 42.867 42.867 37.468 5.399 19855
392 1 2 . 1 1 36 36 TYR H H 36 5.448 5.448 7.617 -2.169 19855
393 1 2 . 1 1 37 37 LEU N N 37 100.195 100.195 120.734 -20.539 19855
394 1 2 . 1 1 37 37 LEU C C 37 176.500 176.500 176.554 -0.054 19855
395 1 2 . 1 1 37 37 LEU CB C 37 46.675 46.675 41.857 4.818 19855
396 1 2 . 1 1 37 37 LEU H H 37 5.242 5.242 7.522 -2.280 19855
397 1 2 . 1 1 38 38 LEU N N 38 100.000 100.000 124.061 -24.061 19855
398 1 2 . 1 1 38 38 LEU C C 38 176.636 176.636 178.399 -1.763 19855
399 1 2 . 1 1 38 38 LEU CB C 38 49.605 49.605 42.350 7.255 19855
400 1 2 . 1 1 38 38 LEU H H 38 8.333 8.333 8.577 -0.244 19855
401 1 2 . 1 1 39 39 LYS N N 39 99.609 99.609 118.997 -19.388 19855
402 1 2 . 1 1 39 39 LYS C C 39 175.954 175.954 176.379 -0.425 19855
403 1 2 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.288 7.649 19855
404 1 2 . 1 1 39 39 LYS H H 39 8.372 8.372 8.159 0.213 19855
405 1 2 . 1 1 40 40 TYR N N 40 99.609 99.609 118.560 -18.951 19855
406 1 2 . 1 1 40 40 TYR CB C 40 44.332 44.332 38.782 5.550 19855
407 1 2 . 1 1 40 40 TYR H H 40 8.137 8.137 7.791 0.346 19855
408 1 2 . 1 1 41 41 ASP N N 41 99.023 99.023 126.948 -27.925 19855
409 1 2 . 1 1 41 41 ASP C C 41 176.291 176.291 174.820 1.471 19855
410 1 2 . 1 1 41 41 ASP CB C 41 51.949 51.949 43.343 8.606 19855
411 1 2 . 1 1 41 41 ASP H H 41 8.254 8.254 8.073 0.181 19855
412 1 2 . 1 1 42 42 GLU N N 42 120.703 120.703 122.369 -1.666 19855
413 1 2 . 1 1 42 42 GLU C C 42 176.561 176.561 176.123 0.438 19855
414 1 2 . 1 1 42 42 GLU CB C 42 30.562 30.562 29.767 0.795 19855
415 1 2 . 1 1 42 42 GLU H H 42 13.877 13.877 8.219 5.658 19855
416 1 2 . 1 1 43 43 GLU N N 43 98.828 98.828 122.052 -23.224 19855
417 1 2 . 1 1 43 43 GLU C C 43 176.291 176.291 176.527 -0.236 19855
418 1 2 . 1 1 43 43 GLU CB C 43 37.300 37.300 30.379 6.921 19855
419 1 2 . 1 1 43 43 GLU H H 43 7.716 7.716 8.748 -1.032 19855
420 1 2 . 1 1 44 44 TRP N N 44 98.828 98.828 117.548 -18.720 19855
421 1 2 . 1 1 44 44 TRP C C 44 179.291 179.291 174.898 4.393 19855
422 1 2 . 1 1 44 44 TRP CB C 44 34.664 34.664 29.020 5.644 19855
423 1 2 . 1 1 44 44 TRP H H 44 5.497 5.497 7.739 -2.242 19855
424 1 2 . 1 1 45 45 TYR N N 45 98.633 98.633 119.012 -20.379 19855
425 1 2 . 1 1 45 45 TYR CB C 45 45.504 45.504 36.426 9.078 19855
426 1 2 . 1 1 45 45 TYR H H 45 8.597 8.597 8.235 0.362 19855
427 1 2 . 1 1 46 46 PRO C C 46 176.789 176.789 176.761 0.028 19855
428 1 2 . 1 1 46 46 PRO CB C 46 33.492 33.492 32.562 0.930 19855
429 1 2 . 1 1 47 47 GLU N N 47 98.438 98.438 119.907 -21.469 19855
430 1 2 . 1 1 47 47 GLU CB C 47 27.047 27.047 30.064 -3.017 19855
431 1 2 . 1 1 47 47 GLU H H 47 8.235 8.235 8.309 -0.074 19855
432 1 2 . 1 1 48 48 GLU N N 48 97.656 97.656 123.983 -26.327 19855
433 1 2 . 1 1 48 48 GLU H H 48 8.391 8.391 8.434 -0.043 19855
434 1 2 . 1 1 49 49 LEU N N 49 97.656 97.656 125.637 -27.981 19855
435 1 2 . 1 1 49 49 LEU C C 49 176.939 176.939 177.597 -0.658 19855
436 1 2 . 1 1 49 49 LEU CB C 49 43.160 43.160 42.087 1.073 19855
437 1 2 . 1 1 49 49 LEU H H 49 8.215 8.215 8.652 -0.437 19855
438 1 2 . 1 1 50 50 LEU N N 50 97.266 97.266 117.786 -20.520 19855
439 1 2 . 1 1 50 50 LEU C C 50 177.384 177.384 176.557 0.827 19855
440 1 2 . 1 1 50 50 LEU CB C 50 43.160 43.160 41.634 1.526 19855
441 1 2 . 1 1 50 50 LEU H H 50 8.000 8.000 7.812 0.188 19855
442 1 2 . 1 1 51 51 THR N N 51 114.062 114.062 107.202 6.860 19855
443 1 2 . 1 1 51 51 THR C C 51 174.158 174.158 173.555 0.603 19855
444 1 2 . 1 1 51 51 THR CB C 51 73.922 73.922 69.966 3.956 19855
445 1 2 . 1 1 51 51 THR H H 51 5.184 5.184 7.434 -2.250 19855
446 1 2 . 1 1 52 52 ASP N N 52 97.070 97.070 125.487 -28.417 19855
447 1 2 . 1 1 52 52 ASP C C 52 176.584 176.584 177.236 -0.652 19855
448 1 2 . 1 1 52 52 ASP CB C 52 41.402 41.402 40.860 0.542 19855
449 1 2 . 1 1 52 52 ASP H H 52 8.108 8.108 8.705 -0.597 19855
450 1 2 . 1 1 53 53 GLY N N 53 97.070 97.070 106.828 -9.758 19855
451 1 2 . 1 1 53 53 GLY C C 53 174.215 174.215 175.078 -0.863 19855
452 1 2 . 1 1 53 53 GLY H H 53 7.990 7.990 8.363 -0.373 19855
453 1 2 . 1 1 54 54 GLU N N 54 96.680 96.680 119.637 -22.957 19855
454 1 2 . 1 1 54 54 GLU C C 54 175.982 175.982 176.951 -0.969 19855
455 1 2 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.452 0.817 19855
456 1 2 . 1 1 54 54 GLU H H 54 7.726 7.726 8.394 -0.668 19855
457 1 2 . 1 1 55 55 ASP N N 55 96.484 96.484 118.687 -22.203 19855
458 1 2 . 1 1 55 55 ASP C C 55 175.857 175.857 175.503 0.354 19855
459 1 2 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.642 6.326 19855
460 1 2 . 1 1 55 55 ASP H H 55 8.440 8.440 8.422 0.018 19855
461 1 2 . 1 1 56 56 ASP N N 56 96.484 96.484 115.217 -18.733 19855
462 1 2 . 1 1 56 56 ASP C C 56 175.795 175.795 176.698 -0.903 19855
463 1 2 . 1 1 56 56 ASP CB C 56 40.816 40.816 39.649 1.167 19855
464 1 2 . 1 1 56 56 ASP H H 56 7.756 7.756 8.472 -0.716 19855
465 1 2 . 1 1 57 57 VAL N N 57 96.094 96.094 116.788 -20.694 19855
466 1 2 . 1 1 57 57 VAL C C 57 175.567 175.567 176.930 -1.363 19855
467 1 2 . 1 1 57 57 VAL CB C 57 33.199 33.199 32.054 1.145 19855
468 1 2 . 1 1 57 57 VAL H H 57 8.274 8.274 7.812 0.462 19855
469 1 2 . 1 1 58 58 PHE N N 58 96.094 96.094 118.514 -22.420 19855
470 1 2 . 1 1 58 58 PHE C C 58 174.537 174.537 177.351 -2.814 19855
471 1 2 . 1 1 58 58 PHE CB C 58 41.109 41.109 37.739 3.370 19855
472 1 2 . 1 1 58 58 PHE H H 58 5.262 5.262 8.133 -2.871 19855
473 1 2 . 1 1 59 59 ASP N N 59 95.898 95.898 120.234 -24.336 19855
474 1 2 . 1 1 59 59 ASP CB C 59 42.281 42.281 38.446 3.835 19855
475 1 2 . 1 1 59 59 ASP H H 59 8.411 8.411 8.006 0.405 19855
476 1 2 . 1 1 60 60 PRO C C 60 176.830 176.830 175.785 1.045 19855
477 1 2 . 1 1 60 60 PRO CB C 60 33.199 33.199 31.966 1.233 19855
478 1 2 . 1 1 61 61 ASP N N 61 95.508 95.508 117.257 -21.749 19855
479 1 2 . 1 1 61 61 ASP C C 61 176.348 176.348 175.204 1.144 19855
480 1 2 . 1 1 61 61 ASP CB C 61 39.644 39.644 39.290 0.354 19855
481 1 2 . 1 1 61 61 ASP H H 61 8.147 8.147 7.826 0.321 19855
482 1 2 . 1 1 62 62 LEU N N 62 95.313 95.313 120.444 -25.131 19855
483 1 2 . 1 1 62 62 LEU C C 62 177.087 177.087 175.546 1.541 19855
484 1 2 . 1 1 62 62 LEU CB C 62 43.746 43.746 42.261 1.485 19855
485 1 2 . 1 1 62 62 LEU H H 62 8.333 8.333 7.545 0.788 19855
486 1 2 . 1 1 63 63 ASP N N 63 95.313 95.313 125.096 -29.783 19855
487 1 2 . 1 1 63 63 ASP C C 63 176.075 176.075 175.067 1.008 19855
488 1 2 . 1 1 63 63 ASP CB C 63 41.988 41.988 42.680 -0.692 19855
489 1 2 . 1 1 63 63 ASP H H 63 8.127 8.127 8.431 -0.304 19855
490 1 2 . 1 1 64 64 MET N N 64 95.313 95.313 123.120 -27.807 19855
491 1 2 . 1 1 64 64 MET CB C 64 36.422 36.422 34.265 2.157 19855
492 1 2 . 1 1 64 64 MET H H 64 5.575 5.575 8.180 -2.605 19855
493 1 2 . 1 1 65 65 GLU N N 65 95.117 95.117 127.897 -32.780 19855
494 1 2 . 1 1 65 65 GLU C C 65 176.208 176.208 177.690 -1.482 19855
495 1 2 . 1 1 65 65 GLU CB C 65 32.027 32.027 29.213 2.814 19855
496 1 2 . 1 1 65 65 GLU H H 65 8.225 8.225 8.941 -0.716 19855
497 1 2 . 1 1 66 66 VAL N N 66 95.117 95.117 117.792 -22.675 19855
498 1 2 . 1 1 66 66 VAL C C 66 175.656 175.656 176.754 -1.098 19855
499 1 2 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.450 2.335 19855
500 1 2 . 1 1 66 66 VAL H H 66 8.010 8.010 8.042 -0.032 19855
501 1 2 . 1 1 67 67 VAL N N 67 94.922 94.922 116.220 -21.298 19855
502 1 2 . 1 1 67 67 VAL C C 67 175.643 175.643 176.873 -1.230 19855
503 1 2 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.459 2.619 19855
504 1 2 . 1 1 67 67 VAL H H 67 8.000 8.000 6.989 1.011 19855
505 1 2 . 1 1 68 68 PHE N N 68 94.531 94.531 118.717 -24.186 19855
506 1 2 . 1 1 68 68 PHE C C 68 175.499 175.499 176.617 -1.118 19855
507 1 2 . 1 1 68 68 PHE CB C 68 40.230 40.230 40.071 0.159 19855
508 1 2 . 1 1 68 68 PHE H H 68 7.912 7.912 7.212 0.700 19855
509 1 2 . 1 1 69 69 GLU N N 69 94.141 94.141 119.222 -25.081 19855
510 1 2 . 1 1 69 69 GLU C C 69 176.182 176.182 176.384 -0.202 19855
511 1 2 . 1 1 69 69 GLU CB C 69 29.976 29.976 28.122 1.854 19855
512 1 2 . 1 1 69 69 GLU H H 69 8.323 8.323 8.008 0.315 19855
513 1 2 . 1 1 70 70 THR N N 70 93.750 93.750 115.038 -21.288 19855
514 1 2 . 1 1 70 70 THR C C 70 173.695 173.695 175.435 -1.740 19855
515 1 2 . 1 1 70 70 THR CB C 70 69.820 69.820 69.580 0.240 19855
516 1 2 . 1 1 70 70 THR H H 70 8.284 8.284 8.038 0.246 19855
517 1 3 . 1 1 2 2 SER N N 2 139.648 139.648 118.417 21.231 19855
518 1 3 . 1 1 2 2 SER C C 2 174.804 174.804 173.404 1.400 19855
519 1 3 . 1 1 2 2 SER CB C 2 63.961 63.961 64.430 -0.469 19855
520 1 3 . 1 1 2 2 SER H H 2 8.157 8.157 8.217 -0.060 19855
521 1 3 . 1 1 3 3 THR N N 3 137.305 137.305 119.844 17.461 19855
522 1 3 . 1 1 3 3 THR C C 3 174.266 174.266 174.127 0.139 19855
523 1 3 . 1 1 3 3 THR CB C 3 70.406 70.406 68.761 1.645 19855
524 1 3 . 1 1 3 3 THR H H 3 7.531 7.531 8.297 -0.766 19855
525 1 3 . 1 1 4 4 ALA N N 4 137.305 137.305 131.607 5.698 19855
526 1 3 . 1 1 4 4 ALA C C 4 177.557 177.557 177.816 -0.259 19855
527 1 3 . 1 1 4 4 ALA CB C 4 20.601 20.601 19.856 0.745 19855
528 1 3 . 1 1 4 4 ALA H H 4 6.807 6.807 8.241 -1.434 19855
529 1 3 . 1 1 5 5 MET N N 5 137.109 137.109 121.348 15.761 19855
530 1 3 . 1 1 5 5 MET C C 5 175.910 175.910 176.480 -0.570 19855
531 1 3 . 1 1 5 5 MET CB C 5 33.199 33.199 31.782 1.417 19855
532 1 3 . 1 1 5 5 MET H H 5 5.242 5.242 8.361 -3.119 19855
533 1 3 . 1 1 6 6 ALA N N 6 136.914 136.914 124.548 12.366 19855
534 1 3 . 1 1 6 6 ALA C C 6 177.841 177.841 176.721 1.120 19855
535 1 3 . 1 1 6 6 ALA CB C 6 21.187 21.187 16.847 4.340 19855
536 1 3 . 1 1 6 6 ALA H H 6 5.223 5.223 8.814 -3.591 19855
537 1 3 . 1 1 7 7 THR N N 7 113.281 113.281 106.641 6.640 19855
538 1 3 . 1 1 7 7 THR C C 7 174.783 174.783 173.688 1.095 19855
539 1 3 . 1 1 7 7 THR CB C 7 69.234 69.234 67.192 2.042 19855
540 1 3 . 1 1 7 7 THR H H 7 5.233 5.233 8.061 -2.828 19855
541 1 3 . 1 1 8 8 THR N N 8 134.375 134.375 116.686 17.689 19855
542 1 3 . 1 1 8 8 THR C C 8 176.149 176.149 173.537 2.612 19855
543 1 3 . 1 1 8 8 THR CB C 8 70.113 70.113 70.101 0.012 19855
544 1 3 . 1 1 8 8 THR H H 8 8.381 8.381 7.702 0.679 19855
545 1 3 . 1 1 9 9 MET N N 9 132.812 132.812 124.520 8.292 19855
546 1 3 . 1 1 9 9 MET C C 9 176.317 176.317 175.705 0.612 19855
547 1 3 . 1 1 9 9 MET CB C 9 32.320 32.320 33.779 -1.458 19855
548 1 3 . 1 1 9 9 MET H H 9 5.252 5.252 8.936 -3.684 19855
549 1 3 . 1 1 10 10 GLU N N 10 139.844 139.844 115.125 24.719 19855
550 1 3 . 1 1 10 10 GLU C C 10 176.344 176.344 175.512 0.832 19855
551 1 3 . 1 1 10 10 GLU CB C 10 30.269 30.269 28.274 1.995 19855
552 1 3 . 1 1 10 10 GLU H H 10 5.673 5.673 8.689 -3.016 19855
553 1 3 . 1 1 11 11 GLN N N 11 134.961 134.961 117.995 16.966 19855
554 1 3 . 1 1 11 11 GLN C C 11 175.611 175.611 175.171 0.440 19855
555 1 3 . 1 1 11 11 GLN CB C 11 29.683 29.683 29.514 0.169 19855
556 1 3 . 1 1 11 11 GLN H H 11 8.538 8.538 7.690 0.848 19855
557 1 3 . 1 1 12 12 GLU N N 12 117.969 117.969 118.110 -0.141 19855
558 1 3 . 1 1 12 12 GLU C C 12 175.333 175.333 175.043 0.290 19855
559 1 3 . 1 1 12 12 GLU CB C 12 33.785 33.785 29.280 4.505 19855
560 1 3 . 1 1 12 12 GLU H H 12 5.193 5.193 8.687 -3.494 19855
561 1 3 . 1 1 13 13 ILE N N 13 90.234 90.234 114.193 -23.959 19855
562 1 3 . 1 1 13 13 ILE C C 13 175.997 175.997 174.146 1.851 19855
563 1 3 . 1 1 13 13 ILE CB C 13 41.109 41.109 37.935 3.174 19855
564 1 3 . 1 1 13 13 ILE H H 13 6.817 6.817 7.587 -0.770 19855
565 1 3 . 1 1 14 14 CYS N N 14 90.625 90.625 125.117 -34.492 19855
566 1 3 . 1 1 14 14 CYS C C 14 177.200 177.200 174.227 2.973 19855
567 1 3 . 1 1 14 14 CYS CB C 14 33.492 33.492 30.986 2.506 19855
568 1 3 . 1 1 14 14 CYS H H 14 8.235 8.235 8.118 0.117 19855
569 1 3 . 1 1 15 15 ALA N N 15 91.016 91.016 127.146 -36.130 19855
570 1 3 . 1 1 15 15 ALA C C 15 177.920 177.920 178.086 -0.166 19855
571 1 3 . 1 1 15 15 ALA CB C 15 19.136 19.136 18.924 0.211 19855
572 1 3 . 1 1 15 15 ALA H H 15 8.274 8.274 8.662 -0.388 19855
573 1 3 . 1 1 16 16 HIS N N 16 91.406 91.406 116.097 -24.691 19855
574 1 3 . 1 1 16 16 HIS C C 16 174.638 174.638 175.543 -0.905 19855
575 1 3 . 1 1 16 16 HIS CB C 16 28.511 28.511 31.385 -2.874 19855
576 1 3 . 1 1 16 16 HIS H H 16 8.411 8.411 8.024 0.387 19855
577 1 3 . 1 1 17 17 SER N N 17 112.891 112.891 112.141 0.750 19855
578 1 3 . 1 1 17 17 SER C C 17 172.992 172.992 173.341 -0.349 19855
579 1 3 . 1 1 17 17 SER CB C 17 62.496 62.496 65.169 -2.673 19855
580 1 3 . 1 1 17 17 SER H H 17 5.370 5.370 8.260 -2.890 19855
581 1 3 . 1 1 18 18 MET N N 18 104.492 104.492 120.534 -16.042 19855
582 1 3 . 1 1 18 18 MET C C 18 174.174 174.174 174.587 -0.413 19855
583 1 3 . 1 1 18 18 MET CB C 18 37.007 37.007 36.170 0.837 19855
584 1 3 . 1 1 18 18 MET H H 18 10.103 10.103 7.670 2.433 19855
585 1 3 . 1 1 19 19 THR N N 19 104.297 104.297 112.334 -8.037 19855
586 1 3 . 1 1 19 19 THR C C 19 174.626 174.626 173.323 1.303 19855
587 1 3 . 1 1 19 19 THR CB C 19 70.406 70.406 68.582 1.824 19855
588 1 3 . 1 1 19 19 THR H H 19 10.073 10.073 8.373 1.700 19855
589 1 3 . 1 1 20 20 PHE N N 20 104.297 104.297 120.801 -16.504 19855
590 1 3 . 1 1 20 20 PHE C C 20 177.239 177.239 177.910 -0.671 19855
591 1 3 . 1 1 20 20 PHE CB C 20 39.351 39.351 38.803 0.548 19855
592 1 3 . 1 1 20 20 PHE H H 20 5.536 5.536 8.474 -2.938 19855
593 1 3 . 1 1 21 21 GLU N N 21 104.297 104.297 119.111 -14.814 19855
594 1 3 . 1 1 21 21 GLU C C 21 177.414 177.414 177.699 -0.285 19855
595 1 3 . 1 1 21 21 GLU CB C 21 30.562 30.562 29.148 1.414 19855
596 1 3 . 1 1 21 21 GLU H H 21 5.418 5.418 8.821 -3.403 19855
597 1 3 . 1 1 22 22 GLU N N 22 104.102 104.102 117.342 -13.240 19855
598 1 3 . 1 1 22 22 GLU C C 22 175.998 175.998 177.086 -1.088 19855
599 1 3 . 1 1 22 22 GLU CB C 22 31.148 31.148 29.632 1.516 19855
600 1 3 . 1 1 22 22 GLU H H 22 5.233 5.233 7.856 -2.623 19855
601 1 3 . 1 1 23 23 CYS N N 23 104.102 104.102 120.342 -16.240 19855
602 1 3 . 1 1 23 23 CYS CB C 23 29.976 29.976 26.730 3.245 19855
603 1 3 . 1 1 23 23 CYS H H 23 4.988 4.988 7.676 -2.688 19855
604 1 3 . 1 1 24 24 PRO C C 24 177.793 177.793 178.341 -0.548 19855
605 1 3 . 1 1 24 24 PRO CB C 24 34.664 34.664 30.872 3.792 19855
606 1 3 . 1 1 25 25 LYS N N 25 102.539 102.539 119.187 -16.648 19855
607 1 3 . 1 1 25 25 LYS C C 25 178.891 178.891 179.682 -0.791 19855
608 1 3 . 1 1 25 25 LYS CB C 25 34.664 34.664 31.544 3.120 19855
609 1 3 . 1 1 25 25 LYS H H 25 8.069 8.069 7.441 0.628 19855
610 1 3 . 1 1 26 26 CYS N N 26 102.539 102.539 118.939 -16.400 19855
611 1 3 . 1 1 26 26 CYS C C 26 177.188 177.188 177.074 0.114 19855
612 1 3 . 1 1 26 26 CYS CB C 26 30.562 30.562 27.709 2.853 19855
613 1 3 . 1 1 26 26 CYS H H 26 5.184 5.184 8.447 -3.263 19855
614 1 3 . 1 1 27 27 SER N N 27 113.867 113.867 114.034 -0.167 19855
615 1 3 . 1 1 27 27 SER H H 27 5.438 5.438 7.984 -2.546 19855
616 1 3 . 1 1 28 28 ALA N N 28 123.437 123.437 120.089 3.348 19855
617 1 3 . 1 1 28 28 ALA C C 28 178.400 178.400 177.049 1.351 19855
618 1 3 . 1 1 28 28 ALA CB C 28 17.379 17.379 16.891 0.488 19855
619 1 3 . 1 1 28 28 ALA H H 28 5.673 5.673 7.275 -1.602 19855
620 1 3 . 1 1 29 29 LEU N N 29 101.758 101.758 117.224 -15.466 19855
621 1 3 . 1 1 29 29 LEU C C 29 177.715 177.715 178.383 -0.668 19855
622 1 3 . 1 1 29 29 LEU CB C 29 43.160 43.160 42.158 1.002 19855
623 1 3 . 1 1 29 29 LEU H H 29 7.971 7.971 8.098 -0.127 19855
624 1 3 . 1 1 30 30 GLN N N 30 101.563 101.563 117.503 -15.940 19855
625 1 3 . 1 1 30 30 GLN C C 30 175.829 175.829 177.554 -1.725 19855
626 1 3 . 1 1 30 30 GLN CB C 30 30.562 30.562 28.081 2.482 19855
627 1 3 . 1 1 30 30 GLN H H 30 7.892 7.892 7.418 0.474 19855
628 1 3 . 1 1 31 31 TYR N N 31 100.977 100.977 114.650 -13.673 19855
629 1 3 . 1 1 31 31 TYR C C 31 176.074 176.074 176.530 -0.456 19855
630 1 3 . 1 1 31 31 TYR CB C 31 41.402 41.402 37.348 4.054 19855
631 1 3 . 1 1 31 31 TYR H H 31 8.117 8.117 8.187 -0.070 19855
632 1 3 . 1 1 32 32 ARG N N 32 100.391 100.391 118.057 -17.666 19855
633 1 3 . 1 1 32 32 ARG C C 32 175.924 175.924 175.563 0.361 19855
634 1 3 . 1 1 32 32 ARG CB C 32 31.441 31.441 30.116 1.325 19855
635 1 3 . 1 1 32 32 ARG H H 32 7.961 7.961 7.245 0.716 19855
636 1 3 . 1 1 33 33 ASN N N 33 100.391 100.391 115.778 -15.387 19855
637 1 3 . 1 1 33 33 ASN C C 33 175.488 175.488 175.740 -0.252 19855
638 1 3 . 1 1 33 33 ASN CB C 33 38.472 38.472 39.805 -1.333 19855
639 1 3 . 1 1 33 33 ASN H H 33 5.301 5.301 7.359 -2.058 19855
640 1 3 . 1 1 34 34 GLY N N 34 100.195 100.195 108.116 -7.921 19855
641 1 3 . 1 1 34 34 GLY C C 34 173.894 173.894 173.502 0.392 19855
642 1 3 . 1 1 34 34 GLY H H 34 8.303 8.303 8.528 -0.225 19855
643 1 3 . 1 1 35 35 PHE N N 35 100.195 100.195 119.702 -19.507 19855
644 1 3 . 1 1 35 35 PHE C C 35 175.393 175.393 174.399 0.994 19855
645 1 3 . 1 1 35 35 PHE CB C 35 42.281 42.281 39.514 2.767 19855
646 1 3 . 1 1 35 35 PHE H H 35 7.746 7.746 7.884 -0.138 19855
647 1 3 . 1 1 36 36 TYR N N 36 100.195 100.195 125.380 -25.185 19855
648 1 3 . 1 1 36 36 TYR C C 36 175.157 175.157 175.188 -0.031 19855
649 1 3 . 1 1 36 36 TYR CB C 36 42.867 42.867 38.923 3.944 19855
650 1 3 . 1 1 36 36 TYR H H 36 5.448 5.448 8.219 -2.771 19855
651 1 3 . 1 1 37 37 LEU N N 37 100.195 100.195 120.214 -20.019 19855
652 1 3 . 1 1 37 37 LEU C C 37 176.500 176.500 176.516 -0.016 19855
653 1 3 . 1 1 37 37 LEU CB C 37 46.675 46.675 42.637 4.038 19855
654 1 3 . 1 1 37 37 LEU H H 37 5.242 5.242 7.494 -2.252 19855
655 1 3 . 1 1 38 38 LEU N N 38 100.000 100.000 124.451 -24.451 19855
656 1 3 . 1 1 38 38 LEU C C 38 176.636 176.636 177.715 -1.079 19855
657 1 3 . 1 1 38 38 LEU CB C 38 49.605 49.605 42.051 7.553 19855
658 1 3 . 1 1 38 38 LEU H H 38 8.333 8.333 8.537 -0.204 19855
659 1 3 . 1 1 39 39 LYS N N 39 99.609 99.609 116.034 -16.425 19855
660 1 3 . 1 1 39 39 LYS C C 39 175.954 175.954 176.990 -1.036 19855
661 1 3 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.501 7.436 19855
662 1 3 . 1 1 39 39 LYS H H 39 8.372 8.372 7.941 0.431 19855
663 1 3 . 1 1 40 40 TYR N N 40 99.609 99.609 120.682 -21.073 19855
664 1 3 . 1 1 40 40 TYR CB C 40 44.332 44.332 38.653 5.679 19855
665 1 3 . 1 1 40 40 TYR H H 40 8.137 8.137 7.695 0.442 19855
666 1 3 . 1 1 41 41 ASP N N 41 99.023 99.023 126.901 -27.878 19855
667 1 3 . 1 1 41 41 ASP C C 41 176.291 176.291 174.561 1.730 19855
668 1 3 . 1 1 41 41 ASP CB C 41 51.949 51.949 42.441 9.508 19855
669 1 3 . 1 1 41 41 ASP H H 41 8.254 8.254 7.829 0.425 19855
670 1 3 . 1 1 42 42 GLU N N 42 120.703 120.703 122.530 -1.827 19855
671 1 3 . 1 1 42 42 GLU C C 42 176.561 176.561 176.631 -0.070 19855
672 1 3 . 1 1 42 42 GLU CB C 42 30.562 30.562 31.935 -1.373 19855
673 1 3 . 1 1 42 42 GLU H H 42 13.877 13.877 8.441 5.436 19855
674 1 3 . 1 1 43 43 GLU N N 43 98.828 98.828 122.297 -23.469 19855
675 1 3 . 1 1 43 43 GLU C C 43 176.291 176.291 176.791 -0.500 19855
676 1 3 . 1 1 43 43 GLU CB C 43 37.300 37.300 29.959 7.341 19855
677 1 3 . 1 1 43 43 GLU H H 43 7.716 7.716 8.670 -0.954 19855
678 1 3 . 1 1 44 44 TRP N N 44 98.828 98.828 119.144 -20.316 19855
679 1 3 . 1 1 44 44 TRP C C 44 179.291 179.291 176.006 3.285 19855
680 1 3 . 1 1 44 44 TRP CB C 44 34.664 34.664 29.684 4.980 19855
681 1 3 . 1 1 44 44 TRP H H 44 5.497 5.497 7.687 -2.190 19855
682 1 3 . 1 1 45 45 TYR N N 45 98.633 98.633 118.558 -19.925 19855
683 1 3 . 1 1 45 45 TYR CB C 45 45.504 45.504 36.047 9.457 19855
684 1 3 . 1 1 45 45 TYR H H 45 8.597 8.597 8.446 0.151 19855
685 1 3 . 1 1 46 46 PRO C C 46 176.789 176.789 177.086 -0.297 19855
686 1 3 . 1 1 46 46 PRO CB C 46 33.492 33.492 31.959 1.533 19855
687 1 3 . 1 1 47 47 GLU N N 47 98.438 98.438 120.239 -21.801 19855
688 1 3 . 1 1 47 47 GLU CB C 47 27.047 27.047 29.390 -2.343 19855
689 1 3 . 1 1 47 47 GLU H H 47 8.235 8.235 8.250 -0.015 19855
690 1 3 . 1 1 48 48 GLU N N 48 97.656 97.656 124.725 -27.069 19855
691 1 3 . 1 1 48 48 GLU H H 48 8.391 8.391 8.466 -0.075 19855
692 1 3 . 1 1 49 49 LEU N N 49 97.656 97.656 124.634 -26.978 19855
693 1 3 . 1 1 49 49 LEU C C 49 176.939 176.939 177.560 -0.621 19855
694 1 3 . 1 1 49 49 LEU CB C 49 43.160 43.160 41.881 1.279 19855
695 1 3 . 1 1 49 49 LEU H H 49 8.215 8.215 8.708 -0.493 19855
696 1 3 . 1 1 50 50 LEU N N 50 97.266 97.266 115.018 -17.752 19855
697 1 3 . 1 1 50 50 LEU C C 50 177.384 177.384 178.643 -1.259 19855
698 1 3 . 1 1 50 50 LEU CB C 50 43.160 43.160 42.286 0.874 19855
699 1 3 . 1 1 50 50 LEU H H 50 8.000 8.000 7.696 0.304 19855
700 1 3 . 1 1 51 51 THR N N 51 114.062 114.062 110.111 3.951 19855
701 1 3 . 1 1 51 51 THR C C 51 174.158 174.158 174.727 -0.569 19855
702 1 3 . 1 1 51 51 THR CB C 51 73.922 73.922 68.682 5.240 19855
703 1 3 . 1 1 51 51 THR H H 51 5.184 5.184 7.961 -2.777 19855
704 1 3 . 1 1 52 52 ASP N N 52 97.070 97.070 121.025 -23.955 19855
705 1 3 . 1 1 52 52 ASP C C 52 176.584 176.584 178.093 -1.509 19855
706 1 3 . 1 1 52 52 ASP CB C 52 41.402 41.402 41.428 -0.026 19855
707 1 3 . 1 1 52 52 ASP H H 52 8.108 8.108 7.559 0.549 19855
708 1 3 . 1 1 53 53 GLY N N 53 97.070 97.070 116.684 -19.614 19855
709 1 3 . 1 1 53 53 GLY C C 53 174.215 174.215 175.638 -1.423 19855
710 1 3 . 1 1 53 53 GLY H H 53 7.990 7.990 8.969 -0.979 19855
711 1 3 . 1 1 54 54 GLU N N 54 96.680 96.680 122.693 -26.013 19855
712 1 3 . 1 1 54 54 GLU C C 54 175.982 175.982 177.822 -1.840 19855
713 1 3 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.660 0.609 19855
714 1 3 . 1 1 54 54 GLU H H 54 7.726 7.726 8.012 -0.286 19855
715 1 3 . 1 1 55 55 ASP N N 55 96.484 96.484 117.694 -21.210 19855
716 1 3 . 1 1 55 55 ASP C C 55 175.857 175.857 175.847 0.010 19855
717 1 3 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.873 6.095 19855
718 1 3 . 1 1 55 55 ASP H H 55 8.440 8.440 8.064 0.376 19855
719 1 3 . 1 1 56 56 ASP N N 56 96.484 96.484 116.182 -19.698 19855
720 1 3 . 1 1 56 56 ASP C C 56 175.795 175.795 175.623 0.172 19855
721 1 3 . 1 1 56 56 ASP CB C 56 40.816 40.816 39.338 1.478 19855
722 1 3 . 1 1 56 56 ASP H H 56 7.756 7.756 7.855 -0.099 19855
723 1 3 . 1 1 57 57 VAL N N 57 96.094 96.094 116.570 -20.476 19855
724 1 3 . 1 1 57 57 VAL C C 57 175.567 175.567 177.309 -1.742 19855
725 1 3 . 1 1 57 57 VAL CB C 57 33.199 33.199 31.856 1.343 19855
726 1 3 . 1 1 57 57 VAL H H 57 8.274 8.274 7.885 0.389 19855
727 1 3 . 1 1 58 58 PHE N N 58 96.094 96.094 116.682 -20.588 19855
728 1 3 . 1 1 58 58 PHE C C 58 174.537 174.537 177.190 -2.653 19855
729 1 3 . 1 1 58 58 PHE CB C 58 41.109 41.109 38.145 2.964 19855
730 1 3 . 1 1 58 58 PHE H H 58 5.262 5.262 7.603 -2.341 19855
731 1 3 . 1 1 59 59 ASP N N 59 95.898 95.898 120.741 -24.843 19855
732 1 3 . 1 1 59 59 ASP CB C 59 42.281 42.281 39.158 3.123 19855
733 1 3 . 1 1 59 59 ASP H H 59 8.411 8.411 7.966 0.445 19855
734 1 3 . 1 1 60 60 PRO C C 60 176.830 176.830 175.968 0.862 19855
735 1 3 . 1 1 60 60 PRO CB C 60 33.199 33.199 31.684 1.515 19855
736 1 3 . 1 1 61 61 ASP N N 61 95.508 95.508 114.728 -19.220 19855
737 1 3 . 1 1 61 61 ASP C C 61 176.348 176.348 174.978 1.370 19855
738 1 3 . 1 1 61 61 ASP CB C 61 39.644 39.644 38.970 0.674 19855
739 1 3 . 1 1 61 61 ASP H H 61 8.147 8.147 8.064 0.083 19855
740 1 3 . 1 1 62 62 LEU N N 62 95.313 95.313 118.106 -22.793 19855
741 1 3 . 1 1 62 62 LEU C C 62 177.087 177.087 175.771 1.316 19855
742 1 3 . 1 1 62 62 LEU CB C 62 43.746 43.746 44.208 -0.462 19855
743 1 3 . 1 1 62 62 LEU H H 62 8.333 8.333 7.593 0.740 19855
744 1 3 . 1 1 63 63 ASP N N 63 95.313 95.313 121.857 -26.544 19855
745 1 3 . 1 1 63 63 ASP C C 63 176.075 176.075 175.610 0.465 19855
746 1 3 . 1 1 63 63 ASP CB C 63 41.988 41.988 42.046 -0.058 19855
747 1 3 . 1 1 63 63 ASP H H 63 8.127 8.127 8.336 -0.209 19855
748 1 3 . 1 1 64 64 MET N N 64 95.313 95.313 125.137 -29.824 19855
749 1 3 . 1 1 64 64 MET CB C 64 36.422 36.422 33.847 2.575 19855
750 1 3 . 1 1 64 64 MET H H 64 5.575 5.575 8.522 -2.947 19855
751 1 3 . 1 1 65 65 GLU N N 65 95.117 95.117 128.406 -33.289 19855
752 1 3 . 1 1 65 65 GLU C C 65 176.208 176.208 178.227 -2.019 19855
753 1 3 . 1 1 65 65 GLU CB C 65 32.027 32.027 28.756 3.271 19855
754 1 3 . 1 1 65 65 GLU H H 65 8.225 8.225 9.193 -0.968 19855
755 1 3 . 1 1 66 66 VAL N N 66 95.117 95.117 118.898 -23.781 19855
756 1 3 . 1 1 66 66 VAL C C 66 175.656 175.656 178.270 -2.614 19855
757 1 3 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.610 2.175 19855
758 1 3 . 1 1 66 66 VAL H H 66 8.010 8.010 8.335 -0.325 19855
759 1 3 . 1 1 67 67 VAL N N 67 94.922 94.922 120.463 -25.541 19855
760 1 3 . 1 1 67 67 VAL C C 67 175.643 175.643 178.109 -2.466 19855
761 1 3 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.576 2.502 19855
762 1 3 . 1 1 67 67 VAL H H 67 8.000 8.000 7.434 0.566 19855
763 1 3 . 1 1 68 68 PHE N N 68 94.531 94.531 119.424 -24.893 19855
764 1 3 . 1 1 68 68 PHE C C 68 175.499 175.499 177.168 -1.669 19855
765 1 3 . 1 1 68 68 PHE CB C 68 40.230 40.230 39.310 0.920 19855
766 1 3 . 1 1 68 68 PHE H H 68 7.912 7.912 7.886 0.026 19855
767 1 3 . 1 1 69 69 GLU N N 69 94.141 94.141 118.452 -24.311 19855
768 1 3 . 1 1 69 69 GLU C C 69 176.182 176.182 178.530 -2.348 19855
769 1 3 . 1 1 69 69 GLU CB C 69 29.976 29.976 30.115 -0.139 19855
770 1 3 . 1 1 69 69 GLU H H 69 8.323 8.323 8.408 -0.085 19855
771 1 3 . 1 1 70 70 THR N N 70 93.750 93.750 111.973 -18.223 19855
772 1 3 . 1 1 70 70 THR C C 70 173.695 173.695 175.708 -2.013 19855
773 1 3 . 1 1 70 70 THR CB C 70 69.820 69.820 69.361 0.459 19855
774 1 3 . 1 1 70 70 THR H H 70 8.284 8.284 8.011 0.273 19855
775 1 4 . 1 1 2 2 SER N N 2 139.648 139.648 116.385 23.263 19855
776 1 4 . 1 1 2 2 SER C C 2 174.804 174.804 174.253 0.551 19855
777 1 4 . 1 1 2 2 SER CB C 2 63.961 63.961 64.716 -0.755 19855
778 1 4 . 1 1 2 2 SER H H 2 8.157 8.157 8.162 -0.005 19855
779 1 4 . 1 1 3 3 THR N N 3 137.305 137.305 117.197 20.108 19855
780 1 4 . 1 1 3 3 THR C C 3 174.266 174.266 173.991 0.275 19855
781 1 4 . 1 1 3 3 THR CB C 3 70.406 70.406 69.567 0.839 19855
782 1 4 . 1 1 3 3 THR H H 3 7.531 7.531 8.387 -0.856 19855
783 1 4 . 1 1 4 4 ALA N N 4 137.305 137.305 129.920 7.385 19855
784 1 4 . 1 1 4 4 ALA C C 4 177.557 177.557 176.902 0.655 19855
785 1 4 . 1 1 4 4 ALA CB C 4 20.601 20.601 20.305 0.296 19855
786 1 4 . 1 1 4 4 ALA H H 4 6.807 6.807 8.271 -1.464 19855
787 1 4 . 1 1 5 5 MET N N 5 137.109 137.109 123.064 14.045 19855
788 1 4 . 1 1 5 5 MET C C 5 175.910 175.910 174.786 1.124 19855
789 1 4 . 1 1 5 5 MET CB C 5 33.199 33.199 32.789 0.410 19855
790 1 4 . 1 1 5 5 MET H H 5 5.242 5.242 8.556 -3.314 19855
791 1 4 . 1 1 6 6 ALA N N 6 136.914 136.914 129.064 7.850 19855
792 1 4 . 1 1 6 6 ALA C C 6 177.841 177.841 176.976 0.865 19855
793 1 4 . 1 1 6 6 ALA CB C 6 21.187 21.187 20.840 0.347 19855
794 1 4 . 1 1 6 6 ALA H H 6 5.223 5.223 8.392 -3.169 19855
795 1 4 . 1 1 7 7 THR N N 7 113.281 113.281 115.741 -2.460 19855
796 1 4 . 1 1 7 7 THR C C 7 174.783 174.783 174.639 0.144 19855
797 1 4 . 1 1 7 7 THR CB C 7 69.234 69.234 69.034 0.200 19855
798 1 4 . 1 1 7 7 THR H H 7 5.233 5.233 8.373 -3.140 19855
799 1 4 . 1 1 8 8 THR N N 8 134.375 134.375 122.846 11.529 19855
800 1 4 . 1 1 8 8 THR C C 8 176.149 176.149 173.954 2.195 19855
801 1 4 . 1 1 8 8 THR CB C 8 70.113 70.113 70.232 -0.119 19855
802 1 4 . 1 1 8 8 THR H H 8 8.381 8.381 8.425 -0.044 19855
803 1 4 . 1 1 9 9 MET N N 9 132.812 132.812 125.615 7.197 19855
804 1 4 . 1 1 9 9 MET C C 9 176.317 176.317 175.475 0.842 19855
805 1 4 . 1 1 9 9 MET CB C 9 32.320 32.320 34.369 -2.049 19855
806 1 4 . 1 1 9 9 MET H H 9 5.252 5.252 8.506 -3.254 19855
807 1 4 . 1 1 10 10 GLU N N 10 139.844 139.844 125.244 14.600 19855
808 1 4 . 1 1 10 10 GLU C C 10 176.344 176.344 176.930 -0.586 19855
809 1 4 . 1 1 10 10 GLU CB C 10 30.269 30.269 30.404 -0.135 19855
810 1 4 . 1 1 10 10 GLU H H 10 5.673 5.673 8.674 -3.001 19855
811 1 4 . 1 1 11 11 GLN N N 11 134.961 134.961 122.897 12.064 19855
812 1 4 . 1 1 11 11 GLN C C 11 175.611 175.611 176.166 -0.555 19855
813 1 4 . 1 1 11 11 GLN CB C 11 29.683 29.683 28.892 0.791 19855
814 1 4 . 1 1 11 11 GLN H H 11 8.538 8.538 8.598 -0.060 19855
815 1 4 . 1 1 12 12 GLU N N 12 117.969 117.969 118.876 -0.907 19855
816 1 4 . 1 1 12 12 GLU C C 12 175.333 175.333 176.249 -0.916 19855
817 1 4 . 1 1 12 12 GLU CB C 12 33.785 33.785 29.793 3.992 19855
818 1 4 . 1 1 12 12 GLU H H 12 5.193 5.193 8.042 -2.849 19855
819 1 4 . 1 1 13 13 ILE N N 13 90.234 90.234 123.886 -33.652 19855
820 1 4 . 1 1 13 13 ILE C C 13 175.997 175.997 176.113 -0.116 19855
821 1 4 . 1 1 13 13 ILE CB C 13 41.109 41.109 37.914 3.195 19855
822 1 4 . 1 1 13 13 ILE H H 13 6.817 6.817 8.589 -1.772 19855
823 1 4 . 1 1 14 14 CYS N N 14 90.625 90.625 124.939 -34.314 19855
824 1 4 . 1 1 14 14 CYS C C 14 177.200 177.200 177.008 0.192 19855
825 1 4 . 1 1 14 14 CYS CB C 14 33.492 33.492 28.256 5.236 19855
826 1 4 . 1 1 14 14 CYS H H 14 8.235 8.235 8.628 -0.393 19855
827 1 4 . 1 1 15 15 ALA N N 15 91.016 91.016 124.195 -33.179 19855
828 1 4 . 1 1 15 15 ALA C C 15 177.920 177.920 177.810 0.110 19855
829 1 4 . 1 1 15 15 ALA CB C 15 19.136 19.136 18.031 1.105 19855
830 1 4 . 1 1 15 15 ALA H H 15 8.274 8.274 8.209 0.065 19855
831 1 4 . 1 1 16 16 HIS N N 16 91.406 91.406 119.062 -27.656 19855
832 1 4 . 1 1 16 16 HIS C C 16 174.638 174.638 174.594 0.044 19855
833 1 4 . 1 1 16 16 HIS CB C 16 28.511 28.511 30.567 -2.056 19855
834 1 4 . 1 1 16 16 HIS H H 16 8.411 8.411 8.105 0.306 19855
835 1 4 . 1 1 17 17 SER N N 17 112.891 112.891 120.346 -7.455 19855
836 1 4 . 1 1 17 17 SER C C 17 172.992 172.992 173.864 -0.872 19855
837 1 4 . 1 1 17 17 SER CB C 17 62.496 62.496 63.148 -0.652 19855
838 1 4 . 1 1 17 17 SER H H 17 5.370 5.370 8.148 -2.778 19855
839 1 4 . 1 1 18 18 MET N N 18 104.492 104.492 123.452 -18.960 19855
840 1 4 . 1 1 18 18 MET C C 18 174.174 174.174 175.585 -1.411 19855
841 1 4 . 1 1 18 18 MET CB C 18 37.007 37.007 35.815 1.192 19855
842 1 4 . 1 1 18 18 MET H H 18 10.103 10.103 8.180 1.923 19855
843 1 4 . 1 1 19 19 THR N N 19 104.297 104.297 119.036 -14.739 19855
844 1 4 . 1 1 19 19 THR C C 19 174.626 174.626 176.347 -1.721 19855
845 1 4 . 1 1 19 19 THR CB C 19 70.406 70.406 68.655 1.751 19855
846 1 4 . 1 1 19 19 THR H H 19 10.073 10.073 8.824 1.249 19855
847 1 4 . 1 1 20 20 PHE N N 20 104.297 104.297 120.966 -16.669 19855
848 1 4 . 1 1 20 20 PHE C C 20 177.239 177.239 176.195 1.044 19855
849 1 4 . 1 1 20 20 PHE CB C 20 39.351 39.351 39.137 0.214 19855
850 1 4 . 1 1 20 20 PHE H H 20 5.536 5.536 8.426 -2.890 19855
851 1 4 . 1 1 21 21 GLU N N 21 104.297 104.297 117.496 -13.199 19855
852 1 4 . 1 1 21 21 GLU C C 21 177.414 177.414 178.524 -1.110 19855
853 1 4 . 1 1 21 21 GLU CB C 21 30.562 30.562 30.059 0.503 19855
854 1 4 . 1 1 21 21 GLU H H 21 5.418 5.418 7.977 -2.559 19855
855 1 4 . 1 1 22 22 GLU N N 22 104.102 104.102 121.541 -17.439 19855
856 1 4 . 1 1 22 22 GLU C C 22 175.998 175.998 178.953 -2.955 19855
857 1 4 . 1 1 22 22 GLU CB C 22 31.148 31.148 29.680 1.468 19855
858 1 4 . 1 1 22 22 GLU H H 22 5.233 5.233 8.327 -3.094 19855
859 1 4 . 1 1 23 23 CYS N N 23 104.102 104.102 117.564 -13.462 19855
860 1 4 . 1 1 23 23 CYS CB C 23 29.976 29.976 25.741 4.235 19855
861 1 4 . 1 1 23 23 CYS H H 23 4.988 4.988 8.037 -3.049 19855
862 1 4 . 1 1 24 24 PRO C C 24 177.793 177.793 178.867 -1.074 19855
863 1 4 . 1 1 24 24 PRO CB C 24 34.664 34.664 31.464 3.200 19855
864 1 4 . 1 1 25 25 LYS N N 25 102.539 102.539 119.840 -17.301 19855
865 1 4 . 1 1 25 25 LYS C C 25 178.891 178.891 179.039 -0.148 19855
866 1 4 . 1 1 25 25 LYS CB C 25 34.664 34.664 32.176 2.488 19855
867 1 4 . 1 1 25 25 LYS H H 25 8.069 8.069 7.909 0.160 19855
868 1 4 . 1 1 26 26 CYS N N 26 102.539 102.539 118.301 -15.762 19855
869 1 4 . 1 1 26 26 CYS C C 26 177.188 177.188 177.015 0.173 19855
870 1 4 . 1 1 26 26 CYS CB C 26 30.562 30.562 27.517 3.045 19855
871 1 4 . 1 1 26 26 CYS H H 26 5.184 5.184 7.937 -2.753 19855
872 1 4 . 1 1 27 27 SER N N 27 113.867 113.867 115.935 -2.068 19855
873 1 4 . 1 1 27 27 SER H H 27 5.438 5.438 7.873 -2.435 19855
874 1 4 . 1 1 28 28 ALA N N 28 123.437 123.437 125.383 -1.946 19855
875 1 4 . 1 1 28 28 ALA C C 28 178.400 178.400 179.241 -0.841 19855
876 1 4 . 1 1 28 28 ALA CB C 28 17.379 17.379 18.078 -0.699 19855
877 1 4 . 1 1 28 28 ALA H H 28 5.673 5.673 8.089 -2.416 19855
878 1 4 . 1 1 29 29 LEU N N 29 101.758 101.758 118.337 -16.579 19855
879 1 4 . 1 1 29 29 LEU C C 29 177.715 177.715 179.192 -1.477 19855
880 1 4 . 1 1 29 29 LEU CB C 29 43.160 43.160 41.428 1.732 19855
881 1 4 . 1 1 29 29 LEU H H 29 7.971 7.971 7.797 0.174 19855
882 1 4 . 1 1 30 30 GLN N N 30 101.563 101.563 117.050 -15.487 19855
883 1 4 . 1 1 30 30 GLN C C 30 175.829 175.829 178.192 -2.363 19855
884 1 4 . 1 1 30 30 GLN CB C 30 30.562 30.562 29.054 1.508 19855
885 1 4 . 1 1 30 30 GLN H H 30 7.892 7.892 7.785 0.107 19855
886 1 4 . 1 1 31 31 TYR N N 31 100.977 100.977 115.208 -14.231 19855
887 1 4 . 1 1 31 31 TYR C C 31 176.074 176.074 176.757 -0.683 19855
888 1 4 . 1 1 31 31 TYR CB C 31 41.402 41.402 37.942 3.460 19855
889 1 4 . 1 1 31 31 TYR H H 31 8.117 8.117 7.942 0.175 19855
890 1 4 . 1 1 32 32 ARG N N 32 100.391 100.391 119.510 -19.119 19855
891 1 4 . 1 1 32 32 ARG C C 32 175.924 175.924 177.006 -1.082 19855
892 1 4 . 1 1 32 32 ARG CB C 32 31.441 31.441 30.332 1.109 19855
893 1 4 . 1 1 32 32 ARG H H 32 7.961 7.961 7.596 0.365 19855
894 1 4 . 1 1 33 33 ASN N N 33 100.391 100.391 115.710 -15.319 19855
895 1 4 . 1 1 33 33 ASN C C 33 175.488 175.488 174.644 0.844 19855
896 1 4 . 1 1 33 33 ASN CB C 33 38.472 38.472 39.307 -0.835 19855
897 1 4 . 1 1 33 33 ASN H H 33 5.301 5.301 7.750 -2.449 19855
898 1 4 . 1 1 34 34 GLY N N 34 100.195 100.195 107.642 -7.447 19855
899 1 4 . 1 1 34 34 GLY C C 34 173.894 173.894 174.064 -0.170 19855
900 1 4 . 1 1 34 34 GLY H H 34 8.303 8.303 8.771 -0.468 19855
901 1 4 . 1 1 35 35 PHE N N 35 100.195 100.195 119.515 -19.320 19855
902 1 4 . 1 1 35 35 PHE C C 35 175.393 175.393 177.331 -1.938 19855
903 1 4 . 1 1 35 35 PHE CB C 35 42.281 42.281 40.028 2.253 19855
904 1 4 . 1 1 35 35 PHE H H 35 7.746 7.746 8.403 -0.657 19855
905 1 4 . 1 1 36 36 TYR N N 36 100.195 100.195 120.162 -19.967 19855
906 1 4 . 1 1 36 36 TYR C C 36 175.157 175.157 174.828 0.329 19855
907 1 4 . 1 1 36 36 TYR CB C 36 42.867 42.867 38.045 4.822 19855
908 1 4 . 1 1 36 36 TYR H H 36 5.448 5.448 8.476 -3.028 19855
909 1 4 . 1 1 37 37 LEU N N 37 100.195 100.195 120.468 -20.273 19855
910 1 4 . 1 1 37 37 LEU C C 37 176.500 176.500 176.182 0.318 19855
911 1 4 . 1 1 37 37 LEU CB C 37 46.675 46.675 44.024 2.651 19855
912 1 4 . 1 1 37 37 LEU H H 37 5.242 5.242 7.027 -1.785 19855
913 1 4 . 1 1 38 38 LEU N N 38 100.000 100.000 125.281 -25.281 19855
914 1 4 . 1 1 38 38 LEU C C 38 176.636 176.636 178.053 -1.417 19855
915 1 4 . 1 1 38 38 LEU CB C 38 49.605 49.605 41.646 7.959 19855
916 1 4 . 1 1 38 38 LEU H H 38 8.333 8.333 8.536 -0.203 19855
917 1 4 . 1 1 39 39 LYS N N 39 99.609 99.609 118.314 -18.705 19855
918 1 4 . 1 1 39 39 LYS C C 39 175.954 175.954 177.139 -1.185 19855
919 1 4 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.082 7.855 19855
920 1 4 . 1 1 39 39 LYS H H 39 8.372 8.372 7.901 0.471 19855
921 1 4 . 1 1 40 40 TYR N N 40 99.609 99.609 119.863 -20.254 19855
922 1 4 . 1 1 40 40 TYR CB C 40 44.332 44.332 38.572 5.761 19855
923 1 4 . 1 1 40 40 TYR H H 40 8.137 8.137 7.513 0.624 19855
924 1 4 . 1 1 41 41 ASP N N 41 99.023 99.023 125.026 -26.003 19855
925 1 4 . 1 1 41 41 ASP C C 41 176.291 176.291 174.242 2.049 19855
926 1 4 . 1 1 41 41 ASP CB C 41 51.949 51.949 43.350 8.599 19855
927 1 4 . 1 1 41 41 ASP H H 41 8.254 8.254 7.837 0.417 19855
928 1 4 . 1 1 42 42 GLU N N 42 120.703 120.703 119.581 1.122 19855
929 1 4 . 1 1 42 42 GLU C C 42 176.561 176.561 176.726 -0.165 19855
930 1 4 . 1 1 42 42 GLU CB C 42 30.562 30.562 31.196 -0.634 19855
931 1 4 . 1 1 42 42 GLU H H 42 13.877 13.877 8.118 5.759 19855
932 1 4 . 1 1 43 43 GLU N N 43 98.828 98.828 120.631 -21.803 19855
933 1 4 . 1 1 43 43 GLU C C 43 176.291 176.291 176.991 -0.700 19855
934 1 4 . 1 1 43 43 GLU CB C 43 37.300 37.300 29.586 7.714 19855
935 1 4 . 1 1 43 43 GLU H H 43 7.716 7.716 8.620 -0.904 19855
936 1 4 . 1 1 44 44 TRP N N 44 98.828 98.828 119.238 -20.410 19855
937 1 4 . 1 1 44 44 TRP C C 44 179.291 179.291 175.812 3.479 19855
938 1 4 . 1 1 44 44 TRP CB C 44 34.664 34.664 28.969 5.695 19855
939 1 4 . 1 1 44 44 TRP H H 44 5.497 5.497 7.388 -1.891 19855
940 1 4 . 1 1 45 45 TYR N N 45 98.633 98.633 119.510 -20.877 19855
941 1 4 . 1 1 45 45 TYR CB C 45 45.504 45.504 37.388 8.116 19855
942 1 4 . 1 1 45 45 TYR H H 45 8.597 8.597 8.281 0.316 19855
943 1 4 . 1 1 46 46 PRO C C 46 176.789 176.789 175.788 1.001 19855
944 1 4 . 1 1 46 46 PRO CB C 46 33.492 33.492 32.235 1.257 19855
945 1 4 . 1 1 47 47 GLU N N 47 98.438 98.438 119.822 -21.384 19855
946 1 4 . 1 1 47 47 GLU CB C 47 27.047 27.047 29.603 -2.556 19855
947 1 4 . 1 1 47 47 GLU H H 47 8.235 8.235 7.951 0.284 19855
948 1 4 . 1 1 48 48 GLU N N 48 97.656 97.656 123.281 -25.625 19855
949 1 4 . 1 1 48 48 GLU H H 48 8.391 8.391 7.907 0.484 19855
950 1 4 . 1 1 49 49 LEU N N 49 97.656 97.656 128.024 -30.368 19855
951 1 4 . 1 1 49 49 LEU C C 49 176.939 176.939 177.782 -0.843 19855
952 1 4 . 1 1 49 49 LEU CB C 49 43.160 43.160 42.228 0.932 19855
953 1 4 . 1 1 49 49 LEU H H 49 8.215 8.215 9.063 -0.848 19855
954 1 4 . 1 1 50 50 LEU N N 50 97.266 97.266 117.947 -20.681 19855
955 1 4 . 1 1 50 50 LEU C C 50 177.384 177.384 176.766 0.618 19855
956 1 4 . 1 1 50 50 LEU CB C 50 43.160 43.160 41.948 1.212 19855
957 1 4 . 1 1 50 50 LEU H H 50 8.000 8.000 8.233 -0.233 19855
958 1 4 . 1 1 51 51 THR N N 51 114.062 114.062 107.197 6.865 19855
959 1 4 . 1 1 51 51 THR C C 51 174.158 174.158 174.130 0.028 19855
960 1 4 . 1 1 51 51 THR CB C 51 73.922 73.922 69.992 3.930 19855
961 1 4 . 1 1 51 51 THR H H 51 5.184 5.184 7.573 -2.389 19855
962 1 4 . 1 1 52 52 ASP N N 52 97.070 97.070 129.026 -31.956 19855
963 1 4 . 1 1 52 52 ASP C C 52 176.584 176.584 177.100 -0.516 19855
964 1 4 . 1 1 52 52 ASP CB C 52 41.402 41.402 39.622 1.780 19855
965 1 4 . 1 1 52 52 ASP H H 52 8.108 8.108 8.859 -0.751 19855
966 1 4 . 1 1 53 53 GLY N N 53 97.070 97.070 110.034 -12.964 19855
967 1 4 . 1 1 53 53 GLY C C 53 174.215 174.215 174.909 -0.694 19855
968 1 4 . 1 1 53 53 GLY H H 53 7.990 7.990 8.414 -0.424 19855
969 1 4 . 1 1 54 54 GLU N N 54 96.680 96.680 119.756 -23.076 19855
970 1 4 . 1 1 54 54 GLU C C 54 175.982 175.982 176.932 -0.950 19855
971 1 4 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.397 0.872 19855
972 1 4 . 1 1 54 54 GLU H H 54 7.726 7.726 8.212 -0.486 19855
973 1 4 . 1 1 55 55 ASP N N 55 96.484 96.484 117.837 -21.353 19855
974 1 4 . 1 1 55 55 ASP C C 55 175.857 175.857 176.135 -0.278 19855
975 1 4 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.529 6.439 19855
976 1 4 . 1 1 55 55 ASP H H 55 8.440 8.440 8.202 0.238 19855
977 1 4 . 1 1 56 56 ASP N N 56 96.484 96.484 115.332 -18.848 19855
978 1 4 . 1 1 56 56 ASP C C 56 175.795 175.795 174.963 0.832 19855
979 1 4 . 1 1 56 56 ASP CB C 56 40.816 40.816 39.484 1.331 19855
980 1 4 . 1 1 56 56 ASP H H 56 7.756 7.756 8.611 -0.855 19855
981 1 4 . 1 1 57 57 VAL N N 57 96.094 96.094 115.878 -19.784 19855
982 1 4 . 1 1 57 57 VAL C C 57 175.567 175.567 177.182 -1.615 19855
983 1 4 . 1 1 57 57 VAL CB C 57 33.199 33.199 32.826 0.373 19855
984 1 4 . 1 1 57 57 VAL H H 57 8.274 8.274 7.952 0.322 19855
985 1 4 . 1 1 58 58 PHE N N 58 96.094 96.094 117.130 -21.036 19855
986 1 4 . 1 1 58 58 PHE C C 58 174.537 174.537 176.828 -2.291 19855
987 1 4 . 1 1 58 58 PHE CB C 58 41.109 41.109 37.318 3.791 19855
988 1 4 . 1 1 58 58 PHE H H 58 5.262 5.262 8.406 -3.144 19855
989 1 4 . 1 1 59 59 ASP N N 59 95.898 95.898 120.809 -24.911 19855
990 1 4 . 1 1 59 59 ASP CB C 59 42.281 42.281 37.992 4.289 19855
991 1 4 . 1 1 59 59 ASP H H 59 8.411 8.411 7.987 0.424 19855
992 1 4 . 1 1 60 60 PRO C C 60 176.830 176.830 175.843 0.987 19855
993 1 4 . 1 1 60 60 PRO CB C 60 33.199 33.199 31.968 1.231 19855
994 1 4 . 1 1 61 61 ASP N N 61 95.508 95.508 117.604 -22.096 19855
995 1 4 . 1 1 61 61 ASP C C 61 176.348 176.348 175.720 0.628 19855
996 1 4 . 1 1 61 61 ASP CB C 61 39.644 39.644 39.211 0.433 19855
997 1 4 . 1 1 61 61 ASP H H 61 8.147 8.147 7.633 0.514 19855
998 1 4 . 1 1 62 62 LEU N N 62 95.313 95.313 119.974 -24.661 19855
999 1 4 . 1 1 62 62 LEU C C 62 177.087 177.087 175.307 1.780 19855
1000 1 4 . 1 1 62 62 LEU CB C 62 43.746 43.746 42.872 0.874 19855
1001 1 4 . 1 1 62 62 LEU H H 62 8.333 8.333 7.281 1.052 19855
1002 1 4 . 1 1 63 63 ASP N N 63 95.313 95.313 125.171 -29.858 19855
1003 1 4 . 1 1 63 63 ASP C C 63 176.075 176.075 175.075 1.000 19855
1004 1 4 . 1 1 63 63 ASP CB C 63 41.988 41.988 41.790 0.198 19855
1005 1 4 . 1 1 63 63 ASP H H 63 8.127 8.127 8.356 -0.229 19855
1006 1 4 . 1 1 64 64 MET N N 64 95.313 95.313 123.739 -28.426 19855
1007 1 4 . 1 1 64 64 MET CB C 64 36.422 36.422 35.542 0.880 19855
1008 1 4 . 1 1 64 64 MET H H 64 5.575 5.575 8.227 -2.652 19855
1009 1 4 . 1 1 65 65 GLU N N 65 95.117 95.117 123.652 -28.535 19855
1010 1 4 . 1 1 65 65 GLU C C 65 176.208 176.208 177.153 -0.945 19855
1011 1 4 . 1 1 65 65 GLU CB C 65 32.027 32.027 29.344 2.683 19855
1012 1 4 . 1 1 65 65 GLU H H 65 8.225 8.225 8.867 -0.642 19855
1013 1 4 . 1 1 66 66 VAL N N 66 95.117 95.117 117.222 -22.105 19855
1014 1 4 . 1 1 66 66 VAL C C 66 175.656 175.656 177.173 -1.517 19855
1015 1 4 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.442 2.344 19855
1016 1 4 . 1 1 66 66 VAL H H 66 8.010 8.010 8.041 -0.031 19855
1017 1 4 . 1 1 67 67 VAL N N 67 94.922 94.922 116.562 -21.640 19855
1018 1 4 . 1 1 67 67 VAL C C 67 175.643 175.643 177.460 -1.817 19855
1019 1 4 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.939 2.139 19855
1020 1 4 . 1 1 67 67 VAL H H 67 8.000 8.000 7.200 0.800 19855
1021 1 4 . 1 1 68 68 PHE N N 68 94.531 94.531 114.622 -20.091 19855
1022 1 4 . 1 1 68 68 PHE C C 68 175.499 175.499 176.909 -1.410 19855
1023 1 4 . 1 1 68 68 PHE CB C 68 40.230 40.230 38.457 1.773 19855
1024 1 4 . 1 1 68 68 PHE H H 68 7.912 7.912 7.103 0.809 19855
1025 1 4 . 1 1 69 69 GLU N N 69 94.141 94.141 122.148 -28.007 19855
1026 1 4 . 1 1 69 69 GLU C C 69 176.182 176.182 176.692 -0.510 19855
1027 1 4 . 1 1 69 69 GLU CB C 69 29.976 29.976 27.846 2.130 19855
1028 1 4 . 1 1 69 69 GLU H H 69 8.323 8.323 7.723 0.600 19855
1029 1 4 . 1 1 70 70 THR N N 70 93.750 93.750 115.148 -21.398 19855
1030 1 4 . 1 1 70 70 THR C C 70 173.695 173.695 175.349 -1.654 19855
1031 1 4 . 1 1 70 70 THR CB C 70 69.820 69.820 69.503 0.317 19855
1032 1 4 . 1 1 70 70 THR H H 70 8.284 8.284 8.230 0.054 19855
1033 1 5 . 1 1 2 2 SER N N 2 139.648 139.648 119.299 20.349 19855
1034 1 5 . 1 1 2 2 SER C C 2 174.804 174.804 174.173 0.631 19855
1035 1 5 . 1 1 2 2 SER CB C 2 63.961 63.961 64.086 -0.125 19855
1036 1 5 . 1 1 2 2 SER H H 2 8.157 8.157 8.249 -0.092 19855
1037 1 5 . 1 1 3 3 THR N N 3 137.305 137.305 119.111 18.194 19855
1038 1 5 . 1 1 3 3 THR C C 3 174.266 174.266 173.757 0.509 19855
1039 1 5 . 1 1 3 3 THR CB C 3 70.406 70.406 69.855 0.551 19855
1040 1 5 . 1 1 3 3 THR H H 3 7.531 7.531 8.249 -0.718 19855
1041 1 5 . 1 1 4 4 ALA N N 4 137.305 137.305 127.768 9.537 19855
1042 1 5 . 1 1 4 4 ALA C C 4 177.557 177.557 177.468 0.089 19855
1043 1 5 . 1 1 4 4 ALA CB C 4 20.601 20.601 19.230 1.371 19855
1044 1 5 . 1 1 4 4 ALA H H 4 6.807 6.807 8.217 -1.410 19855
1045 1 5 . 1 1 5 5 MET N N 5 137.109 137.109 123.137 13.972 19855
1046 1 5 . 1 1 5 5 MET C C 5 175.910 175.910 176.008 -0.098 19855
1047 1 5 . 1 1 5 5 MET CB C 5 33.199 33.199 32.185 1.014 19855
1048 1 5 . 1 1 5 5 MET H H 5 5.242 5.242 8.644 -3.402 19855
1049 1 5 . 1 1 6 6 ALA N N 6 136.914 136.914 118.725 18.189 19855
1050 1 5 . 1 1 6 6 ALA C C 6 177.841 177.841 177.017 0.824 19855
1051 1 5 . 1 1 6 6 ALA CB C 6 21.187 21.187 16.927 4.260 19855
1052 1 5 . 1 1 6 6 ALA H H 6 5.223 5.223 8.284 -3.061 19855
1053 1 5 . 1 1 7 7 THR N N 7 113.281 113.281 106.961 6.320 19855
1054 1 5 . 1 1 7 7 THR C C 7 174.783 174.783 173.991 0.792 19855
1055 1 5 . 1 1 7 7 THR CB C 7 69.234 69.234 67.413 1.821 19855
1056 1 5 . 1 1 7 7 THR H H 7 5.233 5.233 8.363 -3.130 19855
1057 1 5 . 1 1 8 8 THR N N 8 134.375 134.375 115.998 18.377 19855
1058 1 5 . 1 1 8 8 THR C C 8 176.149 176.149 175.136 1.013 19855
1059 1 5 . 1 1 8 8 THR CB C 8 70.113 70.113 69.364 0.749 19855
1060 1 5 . 1 1 8 8 THR H H 8 8.381 8.381 7.849 0.532 19855
1061 1 5 . 1 1 9 9 MET N N 9 132.812 132.812 122.363 10.449 19855
1062 1 5 . 1 1 9 9 MET C C 9 176.317 176.317 176.287 0.030 19855
1063 1 5 . 1 1 9 9 MET CB C 9 32.320 32.320 33.020 -0.701 19855
1064 1 5 . 1 1 9 9 MET H H 9 5.252 5.252 8.412 -3.160 19855
1065 1 5 . 1 1 10 10 GLU N N 10 139.844 139.844 114.150 25.694 19855
1066 1 5 . 1 1 10 10 GLU C C 10 176.344 176.344 174.766 1.578 19855
1067 1 5 . 1 1 10 10 GLU CB C 10 30.269 30.269 27.629 2.640 19855
1068 1 5 . 1 1 10 10 GLU H H 10 5.673 5.673 8.844 -3.171 19855
1069 1 5 . 1 1 11 11 GLN N N 11 134.961 134.961 116.621 18.340 19855
1070 1 5 . 1 1 11 11 GLN C C 11 175.611 175.611 174.748 0.863 19855
1071 1 5 . 1 1 11 11 GLN CB C 11 29.683 29.683 29.466 0.217 19855
1072 1 5 . 1 1 11 11 GLN H H 11 8.538 8.538 7.826 0.712 19855
1073 1 5 . 1 1 12 12 GLU N N 12 117.969 117.969 122.007 -4.038 19855
1074 1 5 . 1 1 12 12 GLU C C 12 175.333 175.333 175.991 -0.658 19855
1075 1 5 . 1 1 12 12 GLU CB C 12 33.785 33.785 28.715 5.070 19855
1076 1 5 . 1 1 12 12 GLU H H 12 5.193 5.193 8.965 -3.772 19855
1077 1 5 . 1 1 13 13 ILE N N 13 90.234 90.234 112.084 -21.850 19855
1078 1 5 . 1 1 13 13 ILE C C 13 175.997 175.997 176.282 -0.285 19855
1079 1 5 . 1 1 13 13 ILE CB C 13 41.109 41.109 36.742 4.367 19855
1080 1 5 . 1 1 13 13 ILE H H 13 6.817 6.817 8.020 -1.203 19855
1081 1 5 . 1 1 14 14 CYS N N 14 90.625 90.625 120.828 -30.203 19855
1082 1 5 . 1 1 14 14 CYS C C 14 177.200 177.200 175.869 1.331 19855
1083 1 5 . 1 1 14 14 CYS CB C 14 33.492 33.492 29.334 4.158 19855
1084 1 5 . 1 1 14 14 CYS H H 14 8.235 8.235 8.136 0.099 19855
1085 1 5 . 1 1 15 15 ALA N N 15 91.016 91.016 126.272 -35.256 19855
1086 1 5 . 1 1 15 15 ALA C C 15 177.920 177.920 178.891 -0.971 19855
1087 1 5 . 1 1 15 15 ALA CB C 15 19.136 19.136 18.979 0.157 19855
1088 1 5 . 1 1 15 15 ALA H H 15 8.274 8.274 8.651 -0.377 19855
1089 1 5 . 1 1 16 16 HIS N N 16 91.406 91.406 115.488 -24.082 19855
1090 1 5 . 1 1 16 16 HIS C C 16 174.638 174.638 175.553 -0.915 19855
1091 1 5 . 1 1 16 16 HIS CB C 16 28.511 28.511 30.311 -1.800 19855
1092 1 5 . 1 1 16 16 HIS H H 16 8.411 8.411 8.754 -0.343 19855
1093 1 5 . 1 1 17 17 SER N N 17 112.891 112.891 109.870 3.021 19855
1094 1 5 . 1 1 17 17 SER C C 17 172.992 172.992 173.880 -0.888 19855
1095 1 5 . 1 1 17 17 SER CB C 17 62.496 62.496 64.023 -1.527 19855
1096 1 5 . 1 1 17 17 SER H H 17 5.370 5.370 8.009 -2.639 19855
1097 1 5 . 1 1 18 18 MET N N 18 104.492 104.492 122.535 -18.043 19855
1098 1 5 . 1 1 18 18 MET C C 18 174.174 174.174 175.972 -1.798 19855
1099 1 5 . 1 1 18 18 MET CB C 18 37.007 37.007 34.487 2.520 19855
1100 1 5 . 1 1 18 18 MET H H 18 10.103 10.103 7.692 2.411 19855
1101 1 5 . 1 1 19 19 THR N N 19 104.297 104.297 112.760 -8.463 19855
1102 1 5 . 1 1 19 19 THR C C 19 174.626 174.626 174.746 -0.120 19855
1103 1 5 . 1 1 19 19 THR CB C 19 70.406 70.406 69.829 0.577 19855
1104 1 5 . 1 1 19 19 THR H H 19 10.073 10.073 8.115 1.958 19855
1105 1 5 . 1 1 20 20 PHE N N 20 104.297 104.297 121.611 -17.314 19855
1106 1 5 . 1 1 20 20 PHE C C 20 177.239 177.239 177.718 -0.479 19855
1107 1 5 . 1 1 20 20 PHE CB C 20 39.351 39.351 39.123 0.229 19855
1108 1 5 . 1 1 20 20 PHE H H 20 5.536 5.536 8.616 -3.080 19855
1109 1 5 . 1 1 21 21 GLU N N 21 104.297 104.297 118.680 -14.383 19855
1110 1 5 . 1 1 21 21 GLU C C 21 177.414 177.414 177.802 -0.388 19855
1111 1 5 . 1 1 21 21 GLU CB C 21 30.562 30.562 28.939 1.623 19855
1112 1 5 . 1 1 21 21 GLU H H 21 5.418 5.418 8.815 -3.397 19855
1113 1 5 . 1 1 22 22 GLU N N 22 104.102 104.102 117.414 -13.312 19855
1114 1 5 . 1 1 22 22 GLU C C 22 175.998 175.998 177.242 -1.244 19855
1115 1 5 . 1 1 22 22 GLU CB C 22 31.148 31.148 29.819 1.329 19855
1116 1 5 . 1 1 22 22 GLU H H 22 5.233 5.233 7.666 -2.433 19855
1117 1 5 . 1 1 23 23 CYS N N 23 104.102 104.102 120.288 -16.186 19855
1118 1 5 . 1 1 23 23 CYS CB C 23 29.976 29.976 26.125 3.852 19855
1119 1 5 . 1 1 23 23 CYS H H 23 4.988 4.988 7.408 -2.420 19855
1120 1 5 . 1 1 24 24 PRO C C 24 177.793 177.793 178.667 -0.874 19855
1121 1 5 . 1 1 24 24 PRO CB C 24 34.664 34.664 30.959 3.705 19855
1122 1 5 . 1 1 25 25 LYS N N 25 102.539 102.539 117.446 -14.907 19855
1123 1 5 . 1 1 25 25 LYS C C 25 178.891 178.891 178.937 -0.046 19855
1124 1 5 . 1 1 25 25 LYS CB C 25 34.664 34.664 31.536 3.128 19855
1125 1 5 . 1 1 25 25 LYS H H 25 8.069 8.069 7.577 0.492 19855
1126 1 5 . 1 1 26 26 CYS N N 26 102.539 102.539 117.994 -15.455 19855
1127 1 5 . 1 1 26 26 CYS C C 26 177.188 177.188 177.103 0.085 19855
1128 1 5 . 1 1 26 26 CYS CB C 26 30.562 30.562 27.930 2.632 19855
1129 1 5 . 1 1 26 26 CYS H H 26 5.184 5.184 7.733 -2.549 19855
1130 1 5 . 1 1 27 27 SER N N 27 113.867 113.867 115.862 -1.995 19855
1131 1 5 . 1 1 27 27 SER H H 27 5.438 5.438 7.838 -2.400 19855
1132 1 5 . 1 1 28 28 ALA N N 28 123.437 123.437 124.682 -1.245 19855
1133 1 5 . 1 1 28 28 ALA C C 28 178.400 178.400 177.159 1.241 19855
1134 1 5 . 1 1 28 28 ALA CB C 28 17.379 17.379 17.852 -0.473 19855
1135 1 5 . 1 1 28 28 ALA H H 28 5.673 5.673 8.038 -2.365 19855
1136 1 5 . 1 1 29 29 LEU N N 29 101.758 101.758 125.974 -24.216 19855
1137 1 5 . 1 1 29 29 LEU C C 29 177.715 177.715 178.877 -1.162 19855
1138 1 5 . 1 1 29 29 LEU CB C 29 43.160 43.160 41.904 1.256 19855
1139 1 5 . 1 1 29 29 LEU H H 29 7.971 7.971 7.810 0.161 19855
1140 1 5 . 1 1 30 30 GLN N N 30 101.563 101.563 118.933 -17.370 19855
1141 1 5 . 1 1 30 30 GLN C C 30 175.829 175.829 177.975 -2.146 19855
1142 1 5 . 1 1 30 30 GLN CB C 30 30.562 30.562 28.080 2.482 19855
1143 1 5 . 1 1 30 30 GLN H H 30 7.892 7.892 8.461 -0.569 19855
1144 1 5 . 1 1 31 31 TYR N N 31 100.977 100.977 116.285 -15.308 19855
1145 1 5 . 1 1 31 31 TYR C C 31 176.074 176.074 177.230 -1.156 19855
1146 1 5 . 1 1 31 31 TYR CB C 31 41.402 41.402 38.149 3.253 19855
1147 1 5 . 1 1 31 31 TYR H H 31 8.117 8.117 8.121 -0.004 19855
1148 1 5 . 1 1 32 32 ARG N N 32 100.391 100.391 119.417 -19.026 19855
1149 1 5 . 1 1 32 32 ARG C C 32 175.924 175.924 178.461 -2.537 19855
1150 1 5 . 1 1 32 32 ARG CB C 32 31.441 31.441 30.210 1.231 19855
1151 1 5 . 1 1 32 32 ARG H H 32 7.961 7.961 7.877 0.084 19855
1152 1 5 . 1 1 33 33 ASN N N 33 100.391 100.391 115.984 -15.593 19855
1153 1 5 . 1 1 33 33 ASN C C 33 175.488 175.488 176.877 -1.389 19855
1154 1 5 . 1 1 33 33 ASN CB C 33 38.472 38.472 39.073 -0.601 19855
1155 1 5 . 1 1 33 33 ASN H H 33 5.301 5.301 7.770 -2.469 19855
1156 1 5 . 1 1 34 34 GLY N N 34 100.195 100.195 106.313 -6.118 19855
1157 1 5 . 1 1 34 34 GLY C C 34 173.894 173.894 175.021 -1.127 19855
1158 1 5 . 1 1 34 34 GLY H H 34 8.303 8.303 8.322 -0.019 19855
1159 1 5 . 1 1 35 35 PHE N N 35 100.195 100.195 120.953 -20.758 19855
1160 1 5 . 1 1 35 35 PHE C C 35 175.393 175.393 174.837 0.556 19855
1161 1 5 . 1 1 35 35 PHE CB C 35 42.281 42.281 39.687 2.594 19855
1162 1 5 . 1 1 35 35 PHE H H 35 7.746 7.746 7.867 -0.121 19855
1163 1 5 . 1 1 36 36 TYR N N 36 100.195 100.195 119.837 -19.642 19855
1164 1 5 . 1 1 36 36 TYR C C 36 175.157 175.157 174.121 1.036 19855
1165 1 5 . 1 1 36 36 TYR CB C 36 42.867 42.867 39.401 3.466 19855
1166 1 5 . 1 1 36 36 TYR H H 36 5.448 5.448 8.074 -2.626 19855
1167 1 5 . 1 1 37 37 LEU N N 37 100.195 100.195 125.019 -24.824 19855
1168 1 5 . 1 1 37 37 LEU C C 37 176.500 176.500 176.681 -0.181 19855
1169 1 5 . 1 1 37 37 LEU CB C 37 46.675 46.675 44.343 2.332 19855
1170 1 5 . 1 1 37 37 LEU H H 37 5.242 5.242 8.035 -2.793 19855
1171 1 5 . 1 1 38 38 LEU N N 38 100.000 100.000 121.959 -21.959 19855
1172 1 5 . 1 1 38 38 LEU C C 38 176.636 176.636 179.021 -2.385 19855
1173 1 5 . 1 1 38 38 LEU CB C 38 49.605 49.605 41.275 8.330 19855
1174 1 5 . 1 1 38 38 LEU H H 38 8.333 8.333 8.945 -0.612 19855
1175 1 5 . 1 1 39 39 LYS N N 39 99.609 99.609 119.902 -20.293 19855
1176 1 5 . 1 1 39 39 LYS C C 39 175.954 175.954 178.234 -2.280 19855
1177 1 5 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.044 7.893 19855
1178 1 5 . 1 1 39 39 LYS H H 39 8.372 8.372 8.539 -0.167 19855
1179 1 5 . 1 1 40 40 TYR N N 40 99.609 99.609 116.783 -17.174 19855
1180 1 5 . 1 1 40 40 TYR CB C 40 44.332 44.332 38.032 6.300 19855
1181 1 5 . 1 1 40 40 TYR H H 40 8.137 8.137 7.436 0.701 19855
1182 1 5 . 1 1 41 41 ASP N N 41 99.023 99.023 120.541 -21.518 19855
1183 1 5 . 1 1 41 41 ASP C C 41 176.291 176.291 177.153 -0.862 19855
1184 1 5 . 1 1 41 41 ASP CB C 41 51.949 51.949 42.228 9.721 19855
1185 1 5 . 1 1 41 41 ASP H H 41 8.254 8.254 7.269 0.985 19855
1186 1 5 . 1 1 42 42 GLU N N 42 120.703 120.703 128.374 -7.671 19855
1187 1 5 . 1 1 42 42 GLU C C 42 176.561 176.561 177.810 -1.249 19855
1188 1 5 . 1 1 42 42 GLU CB C 42 30.562 30.562 30.214 0.348 19855
1189 1 5 . 1 1 42 42 GLU H H 42 13.877 13.877 8.214 5.663 19855
1190 1 5 . 1 1 43 43 GLU N N 43 98.828 98.828 117.802 -18.974 19855
1191 1 5 . 1 1 43 43 GLU C C 43 176.291 176.291 178.440 -2.149 19855
1192 1 5 . 1 1 43 43 GLU CB C 43 37.300 37.300 29.404 7.896 19855
1193 1 5 . 1 1 43 43 GLU H H 43 7.716 7.716 7.931 -0.215 19855
1194 1 5 . 1 1 44 44 TRP N N 44 98.828 98.828 118.682 -19.854 19855
1195 1 5 . 1 1 44 44 TRP C C 44 179.291 179.291 176.649 2.642 19855
1196 1 5 . 1 1 44 44 TRP CB C 44 34.664 34.664 29.291 5.373 19855
1197 1 5 . 1 1 44 44 TRP H H 44 5.497 5.497 7.976 -2.479 19855
1198 1 5 . 1 1 45 45 TYR N N 45 98.633 98.633 121.221 -22.588 19855
1199 1 5 . 1 1 45 45 TYR CB C 45 45.504 45.504 36.827 8.677 19855
1200 1 5 . 1 1 45 45 TYR H H 45 8.597 8.597 7.610 0.987 19855
1201 1 5 . 1 1 46 46 PRO C C 46 176.789 176.789 176.916 -0.127 19855
1202 1 5 . 1 1 46 46 PRO CB C 46 33.492 33.492 32.454 1.038 19855
1203 1 5 . 1 1 47 47 GLU N N 47 98.438 98.438 116.874 -18.436 19855
1204 1 5 . 1 1 47 47 GLU CB C 47 27.047 27.047 32.423 -5.376 19855
1205 1 5 . 1 1 47 47 GLU H H 47 8.235 8.235 8.033 0.202 19855
1206 1 5 . 1 1 48 48 GLU N N 48 97.656 97.656 117.520 -19.864 19855
1207 1 5 . 1 1 48 48 GLU H H 48 8.391 8.391 8.744 -0.353 19855
1208 1 5 . 1 1 49 49 LEU N N 49 97.656 97.656 118.894 -21.238 19855
1209 1 5 . 1 1 49 49 LEU C C 49 176.939 176.939 177.753 -0.814 19855
1210 1 5 . 1 1 49 49 LEU CB C 49 43.160 43.160 41.953 1.207 19855
1211 1 5 . 1 1 49 49 LEU H H 49 8.215 8.215 8.179 0.036 19855
1212 1 5 . 1 1 50 50 LEU N N 50 97.266 97.266 113.238 -15.972 19855
1213 1 5 . 1 1 50 50 LEU C C 50 177.384 177.384 176.670 0.714 19855
1214 1 5 . 1 1 50 50 LEU CB C 50 43.160 43.160 40.552 2.608 19855
1215 1 5 . 1 1 50 50 LEU H H 50 8.000 8.000 7.854 0.146 19855
1216 1 5 . 1 1 51 51 THR N N 51 114.062 114.062 110.026 4.036 19855
1217 1 5 . 1 1 51 51 THR C C 51 174.158 174.158 174.550 -0.392 19855
1218 1 5 . 1 1 51 51 THR CB C 51 73.922 73.922 70.079 3.843 19855
1219 1 5 . 1 1 51 51 THR H H 51 5.184 5.184 7.516 -2.332 19855
1220 1 5 . 1 1 52 52 ASP N N 52 97.070 97.070 123.560 -26.490 19855
1221 1 5 . 1 1 52 52 ASP C C 52 176.584 176.584 176.937 -0.353 19855
1222 1 5 . 1 1 52 52 ASP CB C 52 41.402 41.402 40.777 0.625 19855
1223 1 5 . 1 1 52 52 ASP H H 52 8.108 8.108 8.576 -0.468 19855
1224 1 5 . 1 1 53 53 GLY N N 53 97.070 97.070 107.841 -10.771 19855
1225 1 5 . 1 1 53 53 GLY C C 53 174.215 174.215 174.404 -0.189 19855
1226 1 5 . 1 1 53 53 GLY H H 53 7.990 7.990 7.787 0.203 19855
1227 1 5 . 1 1 54 54 GLU N N 54 96.680 96.680 123.481 -26.801 19855
1228 1 5 . 1 1 54 54 GLU C C 54 175.982 175.982 177.118 -1.136 19855
1229 1 5 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.756 0.513 19855
1230 1 5 . 1 1 54 54 GLU H H 54 7.726 7.726 8.698 -0.972 19855
1231 1 5 . 1 1 55 55 ASP N N 55 96.484 96.484 119.035 -22.551 19855
1232 1 5 . 1 1 55 55 ASP C C 55 175.857 175.857 176.446 -0.589 19855
1233 1 5 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.610 6.358 19855
1234 1 5 . 1 1 55 55 ASP H H 55 8.440 8.440 8.033 0.407 19855
1235 1 5 . 1 1 56 56 ASP N N 56 96.484 96.484 115.864 -19.380 19855
1236 1 5 . 1 1 56 56 ASP C C 56 175.795 175.795 175.896 -0.101 19855
1237 1 5 . 1 1 56 56 ASP CB C 56 40.816 40.816 39.652 1.164 19855
1238 1 5 . 1 1 56 56 ASP H H 56 7.756 7.756 8.073 -0.317 19855
1239 1 5 . 1 1 57 57 VAL N N 57 96.094 96.094 116.759 -20.665 19855
1240 1 5 . 1 1 57 57 VAL C C 57 175.567 175.567 176.199 -0.632 19855
1241 1 5 . 1 1 57 57 VAL CB C 57 33.199 33.199 32.525 0.674 19855
1242 1 5 . 1 1 57 57 VAL H H 57 8.274 8.274 8.712 -0.438 19855
1243 1 5 . 1 1 58 58 PHE N N 58 96.094 96.094 121.727 -25.633 19855
1244 1 5 . 1 1 58 58 PHE C C 58 174.537 174.537 176.381 -1.844 19855
1245 1 5 . 1 1 58 58 PHE CB C 58 41.109 41.109 39.128 1.981 19855
1246 1 5 . 1 1 58 58 PHE H H 58 5.262 5.262 8.344 -3.082 19855
1247 1 5 . 1 1 59 59 ASP N N 59 95.898 95.898 118.657 -22.759 19855
1248 1 5 . 1 1 59 59 ASP CB C 59 42.281 42.281 38.482 3.799 19855
1249 1 5 . 1 1 59 59 ASP H H 59 8.411 8.411 8.446 -0.035 19855
1250 1 5 . 1 1 60 60 PRO C C 60 176.830 176.830 176.871 -0.041 19855
1251 1 5 . 1 1 60 60 PRO CB C 60 33.199 33.199 31.954 1.245 19855
1252 1 5 . 1 1 61 61 ASP N N 61 95.508 95.508 114.764 -19.256 19855
1253 1 5 . 1 1 61 61 ASP C C 61 176.348 176.348 176.385 -0.037 19855
1254 1 5 . 1 1 61 61 ASP CB C 61 39.644 39.644 38.702 0.943 19855
1255 1 5 . 1 1 61 61 ASP H H 61 8.147 8.147 8.048 0.099 19855
1256 1 5 . 1 1 62 62 LEU N N 62 95.313 95.313 119.452 -24.139 19855
1257 1 5 . 1 1 62 62 LEU C C 62 177.087 177.087 176.276 0.811 19855
1258 1 5 . 1 1 62 62 LEU CB C 62 43.746 43.746 42.822 0.923 19855
1259 1 5 . 1 1 62 62 LEU H H 62 8.333 8.333 8.130 0.203 19855
1260 1 5 . 1 1 63 63 ASP N N 63 95.313 95.313 114.514 -19.201 19855
1261 1 5 . 1 1 63 63 ASP C C 63 176.075 176.075 174.443 1.632 19855
1262 1 5 . 1 1 63 63 ASP CB C 63 41.988 41.988 43.183 -1.195 19855
1263 1 5 . 1 1 63 63 ASP H H 63 8.127 8.127 7.967 0.160 19855
1264 1 5 . 1 1 64 64 MET N N 64 95.313 95.313 119.417 -24.104 19855
1265 1 5 . 1 1 64 64 MET CB C 64 36.422 36.422 34.784 1.638 19855
1266 1 5 . 1 1 64 64 MET H H 64 5.575 5.575 8.413 -2.838 19855
1267 1 5 . 1 1 65 65 GLU N N 65 95.117 95.117 123.825 -28.708 19855
1268 1 5 . 1 1 65 65 GLU C C 65 176.208 176.208 177.801 -1.593 19855
1269 1 5 . 1 1 65 65 GLU CB C 65 32.027 32.027 29.454 2.573 19855
1270 1 5 . 1 1 65 65 GLU H H 65 8.225 8.225 8.947 -0.722 19855
1271 1 5 . 1 1 66 66 VAL N N 66 95.117 95.117 116.743 -21.626 19855
1272 1 5 . 1 1 66 66 VAL C C 66 175.656 175.656 177.080 -1.424 19855
1273 1 5 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.540 2.245 19855
1274 1 5 . 1 1 66 66 VAL H H 66 8.010 8.010 8.037 -0.027 19855
1275 1 5 . 1 1 67 67 VAL N N 67 94.922 94.922 116.235 -21.313 19855
1276 1 5 . 1 1 67 67 VAL C C 67 175.643 175.643 177.546 -1.903 19855
1277 1 5 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.949 2.129 19855
1278 1 5 . 1 1 67 67 VAL H H 67 8.000 8.000 7.326 0.674 19855
1279 1 5 . 1 1 68 68 PHE N N 68 94.531 94.531 116.004 -21.473 19855
1280 1 5 . 1 1 68 68 PHE C C 68 175.499 175.499 175.917 -0.418 19855
1281 1 5 . 1 1 68 68 PHE CB C 68 40.230 40.230 38.482 1.748 19855
1282 1 5 . 1 1 68 68 PHE H H 68 7.912 7.912 7.162 0.750 19855
1283 1 5 . 1 1 69 69 GLU N N 69 94.141 94.141 120.846 -26.705 19855
1284 1 5 . 1 1 69 69 GLU C C 69 176.182 176.182 175.907 0.275 19855
1285 1 5 . 1 1 69 69 GLU CB C 69 29.976 29.976 30.743 -0.767 19855
1286 1 5 . 1 1 69 69 GLU H H 69 8.323 8.323 7.512 0.811 19855
1287 1 5 . 1 1 70 70 THR N N 70 93.750 93.750 120.979 -27.229 19855
1288 1 5 . 1 1 70 70 THR C C 70 173.695 173.695 174.077 -0.382 19855
1289 1 5 . 1 1 70 70 THR CB C 70 69.820 69.820 68.801 1.019 19855
1290 1 5 . 1 1 70 70 THR H H 70 8.284 8.284 8.518 -0.234 19855
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 66 20.418 14.271 14.715 19855
2 1 1 "Average Difference" HA 1 0.092 -0.092 0.000 19855
3 1 1 "Average Difference" C 61 1.086 0.113 1.089 19855
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19855
5 1 1 "Average Difference" CB 65 3.438 -2.200 2.662 19855
6 1 1 "Average Difference" HN 66 1.865 0.754 1.719 19855
7 1 2 "Average Difference" N 66 20.042 13.625 14.811 19855
8 1 2 "Average Difference" HA 1 0.015 -0.015 0.000 19855
9 1 2 "Average Difference" C 61 1.209 0.079 1.216 19855
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19855
11 1 2 "Average Difference" CB 65 3.355 -2.193 2.559 19855
12 1 2 "Average Difference" HN 66 1.826 0.754 1.676 19855
13 1 3 "Average Difference" N 66 20.119 13.745 14.804 19855
14 1 3 "Average Difference" HA 1 0.418 -0.418 0.000 19855
15 1 3 "Average Difference" C 61 1.330 0.161 1.331 19855
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19855
17 1 3 "Average Difference" CB 65 3.374 -2.144 2.626 19855
18 1 3 "Average Difference" HN 66 1.832 0.744 1.688 19855
19 1 4 "Average Difference" N 66 20.144 14.621 13.963 19855
20 1 4 "Average Difference" HA 1 0.045 0.045 0.000 19855
21 1 4 "Average Difference" C 61 1.230 0.269 1.210 19855
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19855
23 1 4 "Average Difference" CB 65 3.273 -2.069 2.556 19855
24 1 4 "Average Difference" HN 66 1.817 0.783 1.652 19855
25 1 5 "Average Difference" N 66 19.505 13.143 14.523 19855
26 1 5 "Average Difference" HA 1 0.168 -0.168 0.000 19855
27 1 5 "Average Difference" C 61 1.149 0.372 1.096 19855
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19855
29 1 5 "Average Difference" CB 65 3.456 -2.197 2.689 19855
30 1 5 "Average Difference" HN 66 1.854 0.766 1.702 19855
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 19855
_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 SER N N 2 139.648 139.648 117.407 22.241 19855
2 1 . 1 1 2 2 SER C C 2 174.804 174.804 173.994 0.810 19855
3 1 . 1 1 2 2 SER CB C 2 63.961 63.961 64.433 -0.472 19855
4 1 . 1 1 2 2 SER H H 2 8.157 8.157 8.130 0.027 19855
5 1 . 1 1 3 3 THR N N 3 137.305 137.305 118.803 18.502 19855
6 1 . 1 1 3 3 THR C C 3 174.266 174.266 173.724 0.542 19855
7 1 . 1 1 3 3 THR CB C 3 70.406 70.406 69.116 1.290 19855
8 1 . 1 1 3 3 THR H H 3 7.531 7.531 8.321 -0.790 19855
9 1 . 1 1 4 4 ALA N N 4 137.305 137.305 130.262 7.043 19855
10 1 . 1 1 4 4 ALA C C 4 177.557 177.557 177.091 0.466 19855
11 1 . 1 1 4 4 ALA CB C 4 20.601 20.601 20.065 0.536 19855
12 1 . 1 1 4 4 ALA H H 4 6.807 6.807 8.217 -1.410 19855
13 1 . 1 1 5 5 MET N N 5 137.109 137.109 122.483 14.626 19855
14 1 . 1 1 5 5 MET C C 5 175.910 175.910 176.063 -0.153 19855
15 1 . 1 1 5 5 MET CB C 5 33.199 33.199 31.930 1.269 19855
16 1 . 1 1 5 5 MET H H 5 5.242 5.242 8.551 -3.309 19855
17 1 . 1 1 6 6 ALA N N 6 136.914 136.914 124.335 12.579 19855
18 1 . 1 1 6 6 ALA C C 6 177.841 177.841 176.853 0.988 19855
19 1 . 1 1 6 6 ALA CB C 6 21.187 21.187 17.675 3.512 19855
20 1 . 1 1 6 6 ALA H H 6 5.223 5.223 8.639 -3.416 19855
21 1 . 1 1 7 7 THR N N 7 113.281 113.281 109.032 4.249 19855
22 1 . 1 1 7 7 THR C C 7 174.783 174.783 174.332 0.451 19855
23 1 . 1 1 7 7 THR CB C 7 69.234 69.234 67.627 1.607 19855
24 1 . 1 1 7 7 THR H H 7 5.233 5.233 8.175 -2.942 19855
25 1 . 1 1 8 8 THR N N 8 134.375 134.375 117.310 17.065 19855
26 1 . 1 1 8 8 THR C C 8 176.149 176.149 174.602 1.547 19855
27 1 . 1 1 8 8 THR CB C 8 70.113 70.113 69.625 0.488 19855
28 1 . 1 1 8 8 THR H H 8 8.381 8.381 7.946 0.435 19855
29 1 . 1 1 9 9 MET N N 9 132.812 132.812 123.305 9.507 19855
30 1 . 1 1 9 9 MET C C 9 176.317 176.317 176.126 0.191 19855
31 1 . 1 1 9 9 MET CB C 9 32.320 32.320 33.348 -1.028 19855
32 1 . 1 1 9 9 MET H H 9 5.252 5.252 8.456 -3.204 19855
33 1 . 1 1 10 10 GLU N N 10 139.844 139.844 118.683 21.161 19855
34 1 . 1 1 10 10 GLU C C 10 176.344 176.344 176.037 0.307 19855
35 1 . 1 1 10 10 GLU CB C 10 30.269 30.269 28.792 1.477 19855
36 1 . 1 1 10 10 GLU H H 10 5.673 5.673 8.736 -3.063 19855
37 1 . 1 1 11 11 GLN N N 11 134.961 134.961 119.559 15.402 19855
38 1 . 1 1 11 11 GLN C C 11 175.611 175.611 175.465 0.146 19855
39 1 . 1 1 11 11 GLN CB C 11 29.683 29.683 29.185 0.498 19855
40 1 . 1 1 11 11 GLN H H 11 8.538 8.538 7.952 0.586 19855
41 1 . 1 1 12 12 GLU N N 12 117.969 117.969 119.714 -1.745 19855
42 1 . 1 1 12 12 GLU C C 12 175.333 175.333 175.653 -0.320 19855
43 1 . 1 1 12 12 GLU CB C 12 33.785 33.785 28.869 4.916 19855
44 1 . 1 1 12 12 GLU H H 12 5.193 5.193 8.644 -3.451 19855
45 1 . 1 1 13 13 ILE N N 13 90.234 90.234 116.168 -25.934 19855
46 1 . 1 1 13 13 ILE C C 13 175.997 175.997 175.445 0.552 19855
47 1 . 1 1 13 13 ILE CB C 13 41.109 41.109 38.139 2.970 19855
48 1 . 1 1 13 13 ILE H H 13 6.817 6.817 7.880 -1.063 19855
49 1 . 1 1 14 14 CYS N N 14 90.625 90.625 122.852 -32.227 19855
50 1 . 1 1 14 14 CYS C C 14 177.200 177.200 175.697 1.503 19855
51 1 . 1 1 14 14 CYS CB C 14 33.492 33.492 29.930 3.563 19855
52 1 . 1 1 14 14 CYS H H 14 8.235 8.235 8.270 -0.035 19855
53 1 . 1 1 15 15 ALA N N 15 91.016 91.016 125.940 -34.924 19855
54 1 . 1 1 15 15 ALA C C 15 177.920 177.920 178.251 -0.331 19855
55 1 . 1 1 15 15 ALA CB C 15 19.136 19.136 18.784 0.352 19855
56 1 . 1 1 15 15 ALA H H 15 8.274 8.274 8.555 -0.281 19855
57 1 . 1 1 16 16 HIS N N 16 91.406 91.406 116.328 -24.922 19855
58 1 . 1 1 16 16 HIS C C 16 174.638 174.638 175.523 -0.885 19855
59 1 . 1 1 16 16 HIS CB C 16 28.511 28.511 30.819 -2.308 19855
60 1 . 1 1 16 16 HIS H H 16 8.411 8.411 8.245 0.166 19855
61 1 . 1 1 17 17 SER N N 17 112.891 112.891 112.896 -0.005 19855
62 1 . 1 1 17 17 SER C C 17 172.992 172.992 173.930 -0.938 19855
63 1 . 1 1 17 17 SER CB C 17 62.496 62.496 64.265 -1.769 19855
64 1 . 1 1 17 17 SER H H 17 5.370 5.370 8.187 -2.817 19855
65 1 . 1 1 18 18 MET N N 18 104.492 104.492 122.196 -17.704 19855
66 1 . 1 1 18 18 MET C C 18 174.174 174.174 175.793 -1.619 19855
67 1 . 1 1 18 18 MET CB C 18 37.007 37.007 35.012 1.995 19855
68 1 . 1 1 18 18 MET H H 18 10.103 10.103 7.743 2.360 19855
69 1 . 1 1 19 19 THR N N 19 104.297 104.297 114.234 -9.937 19855
70 1 . 1 1 19 19 THR C C 19 174.626 174.626 175.080 -0.454 19855
71 1 . 1 1 19 19 THR CB C 19 70.406 70.406 69.331 1.075 19855
72 1 . 1 1 19 19 THR H H 19 10.073 10.073 8.311 1.762 19855
73 1 . 1 1 20 20 PHE N N 20 104.297 104.297 121.543 -17.246 19855
74 1 . 1 1 20 20 PHE C C 20 177.239 177.239 177.511 -0.272 19855
75 1 . 1 1 20 20 PHE CB C 20 39.351 39.351 38.998 0.353 19855
76 1 . 1 1 20 20 PHE H H 20 5.536 5.536 8.637 -3.101 19855
77 1 . 1 1 21 21 GLU N N 21 104.297 104.297 119.014 -14.717 19855
78 1 . 1 1 21 21 GLU C C 21 177.414 177.414 177.697 -0.283 19855
79 1 . 1 1 21 21 GLU CB C 21 30.562 30.562 29.259 1.303 19855
80 1 . 1 1 21 21 GLU H H 21 5.418 5.418 8.678 -3.260 19855
81 1 . 1 1 22 22 GLU N N 22 104.102 104.102 118.122 -14.020 19855
82 1 . 1 1 22 22 GLU C C 22 175.998 175.998 177.400 -1.402 19855
83 1 . 1 1 22 22 GLU CB C 22 31.148 31.148 29.301 1.847 19855
84 1 . 1 1 22 22 GLU H H 22 5.233 5.233 7.969 -2.736 19855
85 1 . 1 1 23 23 CYS N N 23 104.102 104.102 119.394 -15.292 19855
86 1 . 1 1 23 23 CYS CB C 23 29.976 29.976 26.181 3.795 19855
87 1 . 1 1 23 23 CYS H H 23 4.988 4.988 7.642 -2.654 19855
88 1 . 1 1 24 24 PRO C C 24 177.793 177.793 178.323 -0.530 19855
89 1 . 1 1 24 24 PRO CB C 24 34.664 34.664 31.049 3.615 19855
90 1 . 1 1 25 25 LYS N N 25 102.539 102.539 118.590 -16.051 19855
91 1 . 1 1 25 25 LYS C C 25 178.891 178.891 178.951 -0.060 19855
92 1 . 1 1 25 25 LYS CB C 25 34.664 34.664 31.872 2.792 19855
93 1 . 1 1 25 25 LYS H H 25 8.069 8.069 7.598 0.471 19855
94 1 . 1 1 26 26 CYS N N 26 102.539 102.539 117.954 -15.415 19855
95 1 . 1 1 26 26 CYS C C 26 177.188 177.188 176.446 0.742 19855
96 1 . 1 1 26 26 CYS CB C 26 30.562 30.562 27.761 2.801 19855
97 1 . 1 1 26 26 CYS H H 26 5.184 5.184 7.895 -2.711 19855
98 1 . 1 1 27 27 SER N N 27 113.867 113.867 114.775 -0.908 19855
99 1 . 1 1 27 27 SER H H 27 5.438 5.438 7.762 -2.324 19855
100 1 . 1 1 28 28 ALA N N 28 123.437 123.437 123.785 -0.348 19855
101 1 . 1 1 28 28 ALA C C 28 178.400 178.400 177.631 0.769 19855
102 1 . 1 1 28 28 ALA CB C 28 17.379 17.379 17.979 -0.600 19855
103 1 . 1 1 28 28 ALA H H 28 5.673 5.673 7.885 -2.212 19855
104 1 . 1 1 29 29 LEU N N 29 101.758 101.758 121.362 -19.604 19855
105 1 . 1 1 29 29 LEU C C 29 177.715 177.715 178.275 -0.560 19855
106 1 . 1 1 29 29 LEU CB C 29 43.160 43.160 41.357 1.803 19855
107 1 . 1 1 29 29 LEU H H 29 7.971 7.971 8.013 -0.042 19855
108 1 . 1 1 30 30 GLN N N 30 101.563 101.563 119.178 -17.615 19855
109 1 . 1 1 30 30 GLN C C 30 175.829 175.829 177.415 -1.586 19855
110 1 . 1 1 30 30 GLN CB C 30 30.562 30.562 28.472 2.091 19855
111 1 . 1 1 30 30 GLN H H 30 7.892 7.892 8.010 -0.118 19855
112 1 . 1 1 31 31 TYR N N 31 100.977 100.977 115.263 -14.286 19855
113 1 . 1 1 31 31 TYR C C 31 176.074 176.074 176.858 -0.784 19855
114 1 . 1 1 31 31 TYR CB C 31 41.402 41.402 37.873 3.529 19855
115 1 . 1 1 31 31 TYR H H 31 8.117 8.117 8.216 -0.099 19855
116 1 . 1 1 32 32 ARG N N 32 100.391 100.391 118.624 -18.233 19855
117 1 . 1 1 32 32 ARG C C 32 175.924 175.924 176.804 -0.880 19855
118 1 . 1 1 32 32 ARG CB C 32 31.441 31.441 30.303 1.138 19855
119 1 . 1 1 32 32 ARG H H 32 7.961 7.961 7.553 0.408 19855
120 1 . 1 1 33 33 ASN N N 33 100.391 100.391 116.118 -15.727 19855
121 1 . 1 1 33 33 ASN C C 33 175.488 175.488 175.771 -0.283 19855
122 1 . 1 1 33 33 ASN CB C 33 38.472 38.472 39.244 -0.772 19855
123 1 . 1 1 33 33 ASN H H 33 5.301 5.301 7.628 -2.327 19855
124 1 . 1 1 34 34 GLY N N 34 100.195 100.195 107.456 -7.261 19855
125 1 . 1 1 34 34 GLY C C 34 173.894 173.894 173.937 -0.043 19855
126 1 . 1 1 34 34 GLY H H 34 8.303 8.303 8.585 -0.282 19855
127 1 . 1 1 35 35 PHE N N 35 100.195 100.195 120.012 -19.817 19855
128 1 . 1 1 35 35 PHE C C 35 175.393 175.393 175.484 -0.091 19855
129 1 . 1 1 35 35 PHE CB C 35 42.281 42.281 40.526 1.755 19855
130 1 . 1 1 35 35 PHE H H 35 7.746 7.746 7.858 -0.111 19855
131 1 . 1 1 36 36 TYR N N 36 100.195 100.195 121.705 -21.510 19855
132 1 . 1 1 36 36 TYR C C 36 175.157 175.157 174.760 0.397 19855
133 1 . 1 1 36 36 TYR CB C 36 42.867 42.867 38.330 4.537 19855
134 1 . 1 1 36 36 TYR H H 36 5.448 5.448 8.058 -2.610 19855
135 1 . 1 1 37 37 LEU N N 37 100.195 100.195 121.305 -21.110 19855
136 1 . 1 1 37 37 LEU C C 37 176.500 176.500 176.657 -0.157 19855
137 1 . 1 1 37 37 LEU CB C 37 46.675 46.675 43.332 3.343 19855
138 1 . 1 1 37 37 LEU H H 37 5.242 5.242 7.421 -2.179 19855
139 1 . 1 1 38 38 LEU N N 38 100.000 100.000 124.254 -24.254 19855
140 1 . 1 1 38 38 LEU C C 38 176.636 176.636 178.347 -1.711 19855
141 1 . 1 1 38 38 LEU CB C 38 49.605 49.605 41.853 7.751 19855
142 1 . 1 1 38 38 LEU H H 38 8.333 8.333 8.714 -0.381 19855
143 1 . 1 1 39 39 LYS N N 39 99.609 99.609 117.678 -18.069 19855
144 1 . 1 1 39 39 LYS C C 39 175.954 175.954 177.096 -1.142 19855
145 1 . 1 1 39 39 LYS CB C 39 39.937 39.937 32.212 7.725 19855
146 1 . 1 1 39 39 LYS H H 39 8.372 8.372 8.113 0.259 19855
147 1 . 1 1 40 40 TYR N N 40 99.609 99.609 119.499 -19.890 19855
148 1 . 1 1 40 40 TYR CB C 40 44.332 44.332 38.682 5.651 19855
149 1 . 1 1 40 40 TYR H H 40 8.137 8.137 7.572 0.565 19855
150 1 . 1 1 41 41 ASP N N 41 99.023 99.023 125.334 -26.311 19855
151 1 . 1 1 41 41 ASP C C 41 176.291 176.291 175.113 1.178 19855
152 1 . 1 1 41 41 ASP CB C 41 51.949 51.949 42.435 9.514 19855
153 1 . 1 1 41 41 ASP H H 41 8.254 8.254 7.692 0.562 19855
154 1 . 1 1 42 42 GLU N N 42 120.703 120.703 123.396 -2.693 19855
155 1 . 1 1 42 42 GLU C C 42 176.561 176.561 176.541 0.020 19855
156 1 . 1 1 42 42 GLU CB C 42 30.562 30.562 30.925 -0.363 19855
157 1 . 1 1 42 42 GLU H H 42 13.877 13.877 8.168 5.709 19855
158 1 . 1 1 43 43 GLU N N 43 98.828 98.828 120.626 -21.798 19855
159 1 . 1 1 43 43 GLU C C 43 176.291 176.291 176.998 -0.707 19855
160 1 . 1 1 43 43 GLU CB C 43 37.300 37.300 29.854 7.446 19855
161 1 . 1 1 43 43 GLU H H 43 7.716 7.716 8.498 -0.782 19855
162 1 . 1 1 44 44 TRP N N 44 98.828 98.828 118.619 -19.791 19855
163 1 . 1 1 44 44 TRP C C 44 179.291 179.291 175.853 3.438 19855
164 1 . 1 1 44 44 TRP CB C 44 34.664 34.664 29.299 5.365 19855
165 1 . 1 1 44 44 TRP H H 44 5.497 5.497 7.649 -2.152 19855
166 1 . 1 1 45 45 TYR N N 45 98.633 98.633 120.034 -21.401 19855
167 1 . 1 1 45 45 TYR CB C 45 45.504 45.504 36.909 8.595 19855
168 1 . 1 1 45 45 TYR H H 45 8.597 8.597 8.292 0.305 19855
169 1 . 1 1 46 46 PRO C C 46 176.789 176.789 176.629 0.160 19855
170 1 . 1 1 46 46 PRO CB C 46 33.492 33.492 32.261 1.231 19855
171 1 . 1 1 47 47 GLU N N 47 98.438 98.438 119.185 -20.747 19855
172 1 . 1 1 47 47 GLU CB C 47 27.047 27.047 30.322 -3.275 19855
173 1 . 1 1 47 47 GLU H H 47 8.235 8.235 8.111 0.124 19855
174 1 . 1 1 48 48 GLU N N 48 97.656 97.656 122.857 -25.201 19855
175 1 . 1 1 48 48 GLU H H 48 8.391 8.391 8.359 0.032 19855
176 1 . 1 1 49 49 LEU N N 49 97.656 97.656 124.776 -27.120 19855
177 1 . 1 1 49 49 LEU C C 49 176.939 176.939 177.669 -0.730 19855
178 1 . 1 1 49 49 LEU CB C 49 43.160 43.160 42.043 1.117 19855
179 1 . 1 1 49 49 LEU H H 49 8.215 8.215 8.674 -0.459 19855
180 1 . 1 1 50 50 LEU N N 50 97.266 97.266 116.262 -18.996 19855
181 1 . 1 1 50 50 LEU C C 50 177.384 177.384 177.124 0.260 19855
182 1 . 1 1 50 50 LEU CB C 50 43.160 43.160 41.629 1.531 19855
183 1 . 1 1 50 50 LEU H H 50 8.000 8.000 7.919 0.081 19855
184 1 . 1 1 51 51 THR N N 51 114.062 114.062 108.438 5.624 19855
185 1 . 1 1 51 51 THR C C 51 174.158 174.158 174.140 0.018 19855
186 1 . 1 1 51 51 THR CB C 51 73.922 73.922 69.389 4.533 19855
187 1 . 1 1 51 51 THR H H 51 5.184 5.184 7.629 -2.445 19855
188 1 . 1 1 52 52 ASP N N 52 97.070 97.070 125.025 -27.955 19855
189 1 . 1 1 52 52 ASP C C 52 176.584 176.584 177.295 -0.711 19855
190 1 . 1 1 52 52 ASP CB C 52 41.402 41.402 40.690 0.712 19855
191 1 . 1 1 52 52 ASP H H 52 8.108 8.108 8.318 -0.210 19855
192 1 . 1 1 53 53 GLY N N 53 97.070 97.070 110.809 -13.739 19855
193 1 . 1 1 53 53 GLY C C 53 174.215 174.215 174.981 -0.766 19855
194 1 . 1 1 53 53 GLY H H 53 7.990 7.990 8.506 -0.516 19855
195 1 . 1 1 54 54 GLU N N 54 96.680 96.680 121.182 -24.502 19855
196 1 . 1 1 54 54 GLU C C 54 175.982 175.982 177.206 -1.224 19855
197 1 . 1 1 54 54 GLU CB C 54 30.269 30.269 29.575 0.694 19855
198 1 . 1 1 54 54 GLU H H 54 7.726 7.726 8.327 -0.601 19855
199 1 . 1 1 55 55 ASP N N 55 96.484 96.484 118.335 -21.851 19855
200 1 . 1 1 55 55 ASP C C 55 175.857 175.857 176.020 -0.163 19855
201 1 . 1 1 55 55 ASP CB C 55 46.968 46.968 40.726 6.242 19855
202 1 . 1 1 55 55 ASP H H 55 8.440 8.440 8.192 0.248 19855
203 1 . 1 1 56 56 ASP N N 56 96.484 96.484 115.818 -19.334 19855
204 1 . 1 1 56 56 ASP C C 56 175.795 175.795 175.758 0.037 19855
205 1 . 1 1 56 56 ASP CB C 56 40.816 40.816 39.658 1.158 19855
206 1 . 1 1 56 56 ASP H H 56 7.756 7.756 8.341 -0.585 19855
207 1 . 1 1 57 57 VAL N N 57 96.094 96.094 116.423 -20.329 19855
208 1 . 1 1 57 57 VAL C C 57 175.567 175.567 176.921 -1.354 19855
209 1 . 1 1 57 57 VAL CB C 57 33.199 33.199 32.407 0.792 19855
210 1 . 1 1 57 57 VAL H H 57 8.274 8.274 8.085 0.189 19855
211 1 . 1 1 58 58 PHE N N 58 96.094 96.094 118.180 -22.086 19855
212 1 . 1 1 58 58 PHE C C 58 174.537 174.537 176.856 -2.319 19855
213 1 . 1 1 58 58 PHE CB C 58 41.109 41.109 38.068 3.041 19855
214 1 . 1 1 58 58 PHE H H 58 5.262 5.262 8.160 -2.898 19855
215 1 . 1 1 59 59 ASP N N 59 95.898 95.898 120.076 -24.178 19855
216 1 . 1 1 59 59 ASP CB C 59 42.281 42.281 38.456 3.825 19855
217 1 . 1 1 59 59 ASP H H 59 8.411 8.411 8.062 0.349 19855
218 1 . 1 1 60 60 PRO C C 60 176.830 176.830 176.250 0.580 19855
219 1 . 1 1 60 60 PRO CB C 60 33.199 33.199 31.969 1.230 19855
220 1 . 1 1 61 61 ASP N N 61 95.508 95.508 116.552 -21.044 19855
221 1 . 1 1 61 61 ASP C C 61 176.348 176.348 175.403 0.945 19855
222 1 . 1 1 61 61 ASP CB C 61 39.644 39.644 39.123 0.521 19855
223 1 . 1 1 61 61 ASP H H 61 8.147 8.147 7.942 0.205 19855
224 1 . 1 1 62 62 LEU N N 62 95.313 95.313 119.686 -24.373 19855
225 1 . 1 1 62 62 LEU C C 62 177.087 177.087 175.609 1.478 19855
226 1 . 1 1 62 62 LEU CB C 62 43.746 43.746 43.171 0.575 19855
227 1 . 1 1 62 62 LEU H H 62 8.333 8.333 7.628 0.705 19855
228 1 . 1 1 63 63 ASP N N 63 95.313 95.313 122.739 -27.426 19855
229 1 . 1 1 63 63 ASP C C 63 176.075 176.075 175.012 1.063 19855
230 1 . 1 1 63 63 ASP CB C 63 41.988 41.988 42.351 -0.363 19855
231 1 . 1 1 63 63 ASP H H 63 8.127 8.127 8.340 -0.213 19855
232 1 . 1 1 64 64 MET N N 64 95.313 95.313 123.100 -27.787 19855
233 1 . 1 1 64 64 MET CB C 64 36.422 36.422 34.617 1.805 19855
234 1 . 1 1 64 64 MET H H 64 5.575 5.575 8.406 -2.831 19855
235 1 . 1 1 65 65 GLU N N 65 95.117 95.117 126.194 -31.077 19855
236 1 . 1 1 65 65 GLU C C 65 176.208 176.208 177.736 -1.528 19855
237 1 . 1 1 65 65 GLU CB C 65 32.027 32.027 29.205 2.822 19855
238 1 . 1 1 65 65 GLU H H 65 8.225 8.225 8.995 -0.770 19855
239 1 . 1 1 66 66 VAL N N 66 95.117 95.117 117.660 -22.543 19855
240 1 . 1 1 66 66 VAL C C 66 175.656 175.656 177.282 -1.626 19855
241 1 . 1 1 66 66 VAL CB C 66 33.785 33.785 31.493 2.292 19855
242 1 . 1 1 66 66 VAL H H 66 8.010 8.010 8.113 -0.103 19855
243 1 . 1 1 67 67 VAL N N 67 94.922 94.922 117.197 -22.275 19855
244 1 . 1 1 67 67 VAL C C 67 175.643 175.643 177.465 -1.822 19855
245 1 . 1 1 67 67 VAL CB C 67 34.078 34.078 31.775 2.303 19855
246 1 . 1 1 67 67 VAL H H 67 8.000 8.000 7.284 0.716 19855
247 1 . 1 1 68 68 PHE N N 68 94.531 94.531 117.018 -22.487 19855
248 1 . 1 1 68 68 PHE C C 68 175.499 175.499 176.675 -1.176 19855
249 1 . 1 1 68 68 PHE CB C 68 40.230 40.230 39.067 1.163 19855
250 1 . 1 1 68 68 PHE H H 68 7.912 7.912 7.357 0.555 19855
251 1 . 1 1 69 69 GLU N N 69 94.141 94.141 120.510 -26.369 19855
252 1 . 1 1 69 69 GLU C C 69 176.182 176.182 176.854 -0.672 19855
253 1 . 1 1 69 69 GLU CB C 69 29.976 29.976 28.954 1.022 19855
254 1 . 1 1 69 69 GLU H H 69 8.323 8.323 7.884 0.439 19855
255 1 . 1 1 70 70 THR N N 70 93.750 93.750 115.718 -21.968 19855
256 1 . 1 1 70 70 THR C C 70 173.695 173.695 175.136 -1.441 19855
257 1 . 1 1 70 70 THR CB C 70 69.820 69.820 69.340 0.480 19855
258 1 . 1 1 70 70 THR H H 70 8.284 8.284 8.209 0.075 19855
stop_
save_