data_19447
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19447
_Entry.PDB_ID 2MCN
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 19447
_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 3 3 ASP N N 3 128.606 128.606 122.703 5.903 19447
2 1 1 . 1 1 3 3 ASP H H 3 9.215 9.215 8.004 1.211 19447
3 1 1 . 1 1 4 4 TYR N N 4 120.150 120.150 124.373 -4.223 19447
4 1 1 . 1 1 4 4 TYR H H 4 9.324 9.324 8.044 1.280 19447
5 1 1 . 1 1 5 5 ILE N N 5 119.250 119.250 120.943 -1.693 19447
6 1 1 . 1 1 5 5 ILE H H 5 9.418 9.418 8.836 0.582 19447
7 1 1 . 1 1 6 6 VAL N N 6 126.150 126.150 127.314 -1.164 19447
8 1 1 . 1 1 6 6 VAL H H 6 8.531 8.531 8.372 0.159 19447
9 1 1 . 1 1 7 7 GLU N N 7 129.289 129.289 128.905 0.384 19447
10 1 1 . 1 1 7 7 GLU H H 7 9.240 9.240 8.830 0.410 19447
11 1 1 . 1 1 8 8 TYR N N 8 117.500 117.500 122.420 -4.920 19447
12 1 1 . 1 1 8 8 TYR H H 8 7.725 7.725 7.801 -0.076 19447
13 1 1 . 1 1 9 9 ASP N N 9 118.964 118.964 119.484 -0.520 19447
14 1 1 . 1 1 9 9 ASP H H 9 8.026 8.026 8.571 -0.545 19447
15 1 1 . 1 1 10 10 TYR N N 10 118.310 118.310 123.591 -5.281 19447
16 1 1 . 1 1 10 10 TYR H H 10 8.134 8.134 7.750 0.384 19447
17 1 1 . 1 1 11 11 ASP N N 11 128.419 128.419 124.238 4.181 19447
18 1 1 . 1 1 11 11 ASP H H 11 7.807 7.807 7.627 0.180 19447
19 1 1 . 1 1 12 12 ALA N N 12 123.084 123.084 125.238 -2.154 19447
20 1 1 . 1 1 12 12 ALA H H 12 7.785 7.785 7.913 -0.128 19447
21 1 1 . 1 1 13 13 VAL N N 13 118.591 118.591 119.121 -0.530 19447
22 1 1 . 1 1 13 13 VAL H H 13 8.517 8.517 7.901 0.616 19447
23 1 1 . 1 1 14 14 HIS N N 14 115.145 115.145 118.396 -3.251 19447
24 1 1 . 1 1 14 14 HIS H H 14 7.049 7.049 7.541 -0.492 19447
25 1 1 . 1 1 15 15 ASP N N 15 120.695 120.695 120.450 0.245 19447
26 1 1 . 1 1 15 15 ASP H H 15 8.823 8.823 8.914 -0.091 19447
27 1 1 . 1 1 16 16 ASP N N 16 115.886 115.886 113.894 1.992 19447
28 1 1 . 1 1 16 16 ASP H H 16 8.444 8.444 8.728 -0.284 19447
29 1 1 . 1 1 17 17 GLU N N 17 119.643 119.643 119.902 -0.259 19447
30 1 1 . 1 1 17 17 GLU H H 17 7.762 7.762 7.588 0.174 19447
31 1 1 . 1 1 18 18 LEU N N 18 120.686 120.686 124.176 -3.490 19447
32 1 1 . 1 1 18 18 LEU H H 18 8.924 8.924 8.837 0.087 19447
33 1 1 . 1 1 19 19 THR N N 19 117.228 117.228 120.265 -3.037 19447
34 1 1 . 1 1 19 19 THR H H 19 7.462 7.462 8.446 -0.984 19447
35 1 1 . 1 1 20 20 ILE N N 20 121.475 121.475 124.239 -2.764 19447
36 1 1 . 1 1 20 20 ILE H H 20 9.269 9.269 8.223 1.046 19447
37 1 1 . 1 1 21 21 ARG N N 21 124.941 124.941 123.906 1.035 19447
38 1 1 . 1 1 21 21 ARG H H 21 8.809 8.809 8.497 0.312 19447
39 1 1 . 1 1 22 22 VAL N N 22 118.300 118.300 120.875 -2.575 19447
40 1 1 . 1 1 22 22 VAL H H 22 7.994 7.994 8.499 -0.505 19447
41 1 1 . 1 1 23 23 GLY N N 23 114.572 114.572 116.126 -1.554 19447
42 1 1 . 1 1 23 23 GLY H H 23 8.690 8.690 8.386 0.304 19447
43 1 1 . 1 1 24 24 GLU N N 24 120.005 120.005 123.523 -3.518 19447
44 1 1 . 1 1 24 24 GLU H H 24 8.076 8.076 8.164 -0.088 19447
45 1 1 . 1 1 25 25 ILE N N 25 119.376 119.376 121.147 -1.771 19447
46 1 1 . 1 1 25 25 ILE H H 25 7.972 7.972 8.140 -0.168 19447
47 1 1 . 1 1 26 26 ILE N N 26 128.357 128.357 127.456 0.901 19447
48 1 1 . 1 1 26 26 ILE H H 26 9.321 9.321 8.602 0.719 19447
49 1 1 . 1 1 27 27 ARG N N 27 123.620 123.620 127.931 -4.311 19447
50 1 1 . 1 1 27 27 ARG H H 27 8.655 8.655 8.700 -0.045 19447
51 1 1 . 1 1 28 28 ASN N N 28 117.452 117.452 118.956 -1.504 19447
52 1 1 . 1 1 28 28 ASN H H 28 8.608 8.608 8.877 -0.269 19447
53 1 1 . 1 1 29 29 VAL N N 29 120.580 120.580 120.370 0.210 19447
54 1 1 . 1 1 29 29 VAL H H 29 8.661 8.661 7.870 0.791 19447
55 1 1 . 1 1 30 30 LYS N N 30 127.372 127.372 127.461 -0.089 19447
56 1 1 . 1 1 30 30 LYS H H 30 9.384 9.384 8.827 0.557 19447
57 1 1 . 1 1 31 31 LYS N N 31 121.810 121.810 127.327 -5.517 19447
58 1 1 . 1 1 31 31 LYS H H 31 8.493 8.493 8.609 -0.116 19447
59 1 1 . 1 1 32 32 LEU N N 32 123.341 123.341 127.488 -4.147 19447
60 1 1 . 1 1 32 32 LEU H H 32 7.653 7.653 8.233 -0.581 19447
61 1 1 . 1 1 33 33 GLN N N 33 118.368 118.368 117.249 1.119 19447
62 1 1 . 1 1 33 33 GLN H H 33 8.435 8.435 8.359 0.076 19447
63 1 1 . 1 1 34 34 GLU N N 34 119.345 119.345 118.657 0.688 19447
64 1 1 . 1 1 34 34 GLU H H 34 7.336 7.336 7.840 -0.504 19447
65 1 1 . 1 1 35 35 GLU N N 35 126.251 126.251 126.503 -0.252 19447
66 1 1 . 1 1 35 35 GLU H H 35 8.352 8.352 8.930 -0.578 19447
67 1 1 . 1 1 36 36 GLY N N 36 111.344 111.344 113.068 -1.724 19447
68 1 1 . 1 1 36 36 GLY H H 36 8.510 8.510 8.586 -0.076 19447
69 1 1 . 1 1 37 37 TRP N N 37 119.200 119.200 123.018 -3.818 19447
70 1 1 . 1 1 37 37 TRP H H 37 7.727 7.727 7.811 -0.084 19447
71 1 1 . 1 1 38 38 LEU N N 38 123.025 123.025 122.295 0.730 19447
72 1 1 . 1 1 38 38 LEU H H 38 8.402 8.402 8.407 -0.005 19447
73 1 1 . 1 1 39 39 GLU N N 39 117.576 117.576 120.555 -2.979 19447
74 1 1 . 1 1 39 39 GLU H H 39 8.457 8.457 8.620 -0.163 19447
75 1 1 . 1 1 40 40 GLY N N 40 110.793 110.793 111.726 -0.933 19447
76 1 1 . 1 1 40 40 GLY H H 40 8.765 8.765 8.677 0.088 19447
77 1 1 . 1 1 41 41 GLU N N 41 118.958 118.958 120.365 -1.407 19447
78 1 1 . 1 1 41 41 GLU H H 41 9.039 9.039 8.419 0.620 19447
79 1 1 . 1 1 42 42 LEU N N 42 127.681 127.681 125.285 2.396 19447
80 1 1 . 1 1 42 42 LEU H H 42 9.032 9.032 8.979 0.053 19447
81 1 1 . 1 1 43 43 ASN N N 43 126.687 126.687 124.280 2.407 19447
82 1 1 . 1 1 43 43 ASN H H 43 9.582 9.582 9.432 0.150 19447
83 1 1 . 1 1 44 44 GLY N N 44 104.039 104.039 104.377 -0.338 19447
84 1 1 . 1 1 44 44 GLY H H 44 8.984 8.984 8.515 0.469 19447
85 1 1 . 1 1 45 45 ARG N N 45 120.104 120.104 121.429 -1.325 19447
86 1 1 . 1 1 45 45 ARG H H 45 7.714 7.714 7.784 -0.070 19447
87 1 1 . 1 1 46 46 ARG N N 46 121.840 121.840 127.628 -5.788 19447
88 1 1 . 1 1 46 46 ARG H H 46 8.565 8.565 8.721 -0.156 19447
89 1 1 . 1 1 47 47 GLY N N 47 109.692 109.692 111.090 -1.398 19447
90 1 1 . 1 1 47 47 GLY H H 47 8.662 8.662 8.787 -0.125 19447
91 1 1 . 1 1 48 48 MET N N 48 117.200 117.200 117.543 -0.343 19447
92 1 1 . 1 1 48 48 MET H H 48 8.861 8.861 8.884 -0.023 19447
93 1 1 . 1 1 49 49 PHE N N 49 116.718 116.718 115.147 1.571 19447
94 1 1 . 1 1 49 49 PHE H H 49 8.829 8.829 8.583 0.246 19447
95 1 1 . 1 1 51 51 ASP N N 51 120.485 120.485 121.691 -1.206 19447
96 1 1 . 1 1 51 51 ASP H H 51 8.176 8.176 7.906 0.270 19447
97 1 1 . 1 1 52 52 ASN N N 52 110.040 110.040 115.912 -5.872 19447
98 1 1 . 1 1 52 52 ASN H H 52 8.721 8.721 8.152 0.569 19447
99 1 1 . 1 1 53 53 PHE N N 53 117.961 117.961 113.549 4.412 19447
100 1 1 . 1 1 53 53 PHE H H 53 7.536 7.536 7.225 0.311 19447
101 1 1 . 1 1 54 54 VAL N N 54 109.981 109.981 119.894 -9.913 19447
102 1 1 . 1 1 54 54 VAL H H 54 7.464 7.464 7.496 -0.032 19447
103 1 1 . 1 1 55 55 LYS N N 55 120.357 120.357 127.929 -7.572 19447
104 1 1 . 1 1 55 55 LYS H H 55 9.156 9.156 8.864 0.292 19447
105 1 1 . 1 1 56 56 GLU N N 56 128.689 128.689 127.848 0.841 19447
106 1 1 . 1 1 56 56 GLU H H 56 8.677 8.677 8.617 0.060 19447
107 1 1 . 1 1 57 57 ILE N N 57 127.140 127.140 127.944 -0.804 19447
108 1 1 . 1 1 57 57 ILE H H 57 8.440 8.440 8.039 0.401 19447
109 1 2 . 1 1 3 3 ASP N N 3 128.606 128.606 121.074 7.532 19447
110 1 2 . 1 1 3 3 ASP H H 3 9.215 9.215 8.600 0.615 19447
111 1 2 . 1 1 4 4 TYR N N 4 120.150 120.150 119.066 1.084 19447
112 1 2 . 1 1 4 4 TYR H H 4 9.324 9.324 8.508 0.816 19447
113 1 2 . 1 1 5 5 ILE N N 5 119.250 119.250 120.461 -1.211 19447
114 1 2 . 1 1 5 5 ILE H H 5 9.418 9.418 9.077 0.341 19447
115 1 2 . 1 1 6 6 VAL N N 6 126.150 126.150 123.272 2.878 19447
116 1 2 . 1 1 6 6 VAL H H 6 8.531 8.531 8.634 -0.103 19447
117 1 2 . 1 1 7 7 GLU N N 7 129.289 129.289 129.521 -0.232 19447
118 1 2 . 1 1 7 7 GLU H H 7 9.240 9.240 8.634 0.606 19447
119 1 2 . 1 1 8 8 TYR N N 8 117.500 117.500 124.374 -6.874 19447
120 1 2 . 1 1 8 8 TYR H H 8 7.725 7.725 7.809 -0.084 19447
121 1 2 . 1 1 9 9 ASP N N 9 118.964 118.964 120.667 -1.703 19447
122 1 2 . 1 1 9 9 ASP H H 9 8.026 8.026 8.219 -0.193 19447
123 1 2 . 1 1 10 10 TYR N N 10 118.310 118.310 123.453 -5.143 19447
124 1 2 . 1 1 10 10 TYR H H 10 8.134 8.134 7.911 0.223 19447
125 1 2 . 1 1 11 11 ASP N N 11 128.419 128.419 120.716 7.703 19447
126 1 2 . 1 1 11 11 ASP H H 11 7.807 7.807 8.119 -0.312 19447
127 1 2 . 1 1 12 12 ALA N N 12 123.084 123.084 123.960 -0.876 19447
128 1 2 . 1 1 12 12 ALA H H 12 7.785 7.785 8.278 -0.493 19447
129 1 2 . 1 1 13 13 VAL N N 13 118.591 118.591 123.444 -4.853 19447
130 1 2 . 1 1 13 13 VAL H H 13 8.517 8.517 8.582 -0.065 19447
131 1 2 . 1 1 14 14 HIS N N 14 115.145 115.145 117.783 -2.638 19447
132 1 2 . 1 1 14 14 HIS H H 14 7.049 7.049 7.819 -0.770 19447
133 1 2 . 1 1 15 15 ASP N N 15 120.695 120.695 120.637 0.058 19447
134 1 2 . 1 1 15 15 ASP H H 15 8.823 8.823 7.981 0.842 19447
135 1 2 . 1 1 16 16 ASP N N 16 115.886 115.886 116.469 -0.583 19447
136 1 2 . 1 1 16 16 ASP H H 16 8.444 8.444 8.050 0.394 19447
137 1 2 . 1 1 17 17 GLU N N 17 119.643 119.643 118.999 0.644 19447
138 1 2 . 1 1 17 17 GLU H H 17 7.762 7.762 7.398 0.364 19447
139 1 2 . 1 1 18 18 LEU N N 18 120.686 120.686 125.418 -4.732 19447
140 1 2 . 1 1 18 18 LEU H H 18 8.924 8.924 9.075 -0.151 19447
141 1 2 . 1 1 19 19 THR N N 19 117.228 117.228 119.286 -2.058 19447
142 1 2 . 1 1 19 19 THR H H 19 7.462 7.462 8.384 -0.922 19447
143 1 2 . 1 1 20 20 ILE N N 20 121.475 121.475 124.685 -3.210 19447
144 1 2 . 1 1 20 20 ILE H H 20 9.269 9.269 7.975 1.294 19447
145 1 2 . 1 1 21 21 ARG N N 21 124.941 124.941 123.699 1.242 19447
146 1 2 . 1 1 21 21 ARG H H 21 8.809 8.809 8.519 0.290 19447
147 1 2 . 1 1 22 22 VAL N N 22 118.300 118.300 119.101 -0.801 19447
148 1 2 . 1 1 22 22 VAL H H 22 7.994 7.994 8.243 -0.249 19447
149 1 2 . 1 1 23 23 GLY N N 23 114.572 114.572 114.917 -0.345 19447
150 1 2 . 1 1 23 23 GLY H H 23 8.690 8.690 8.392 0.298 19447
151 1 2 . 1 1 24 24 GLU N N 24 120.005 120.005 122.979 -2.974 19447
152 1 2 . 1 1 24 24 GLU H H 24 8.076 8.076 8.261 -0.185 19447
153 1 2 . 1 1 25 25 ILE N N 25 119.376 119.376 121.034 -1.658 19447
154 1 2 . 1 1 25 25 ILE H H 25 7.972 7.972 8.218 -0.246 19447
155 1 2 . 1 1 26 26 ILE N N 26 128.357 128.357 126.253 2.104 19447
156 1 2 . 1 1 26 26 ILE H H 26 9.321 9.321 8.472 0.849 19447
157 1 2 . 1 1 27 27 ARG N N 27 123.620 123.620 127.584 -3.964 19447
158 1 2 . 1 1 27 27 ARG H H 27 8.655 8.655 9.007 -0.352 19447
159 1 2 . 1 1 28 28 ASN N N 28 117.452 117.452 119.707 -2.255 19447
160 1 2 . 1 1 28 28 ASN H H 28 8.608 8.608 8.733 -0.125 19447
161 1 2 . 1 1 29 29 VAL N N 29 120.580 120.580 118.840 1.740 19447
162 1 2 . 1 1 29 29 VAL H H 29 8.661 8.661 8.479 0.182 19447
163 1 2 . 1 1 30 30 LYS N N 30 127.372 127.372 128.048 -0.676 19447
164 1 2 . 1 1 30 30 LYS H H 30 9.384 9.384 8.975 0.409 19447
165 1 2 . 1 1 31 31 LYS N N 31 121.810 121.810 122.515 -0.705 19447
166 1 2 . 1 1 31 31 LYS H H 31 8.493 8.493 8.556 -0.063 19447
167 1 2 . 1 1 32 32 LEU N N 32 123.341 123.341 126.629 -3.288 19447
168 1 2 . 1 1 32 32 LEU H H 32 7.653 7.653 8.004 -0.351 19447
169 1 2 . 1 1 33 33 GLN N N 33 118.368 118.368 118.854 -0.486 19447
170 1 2 . 1 1 33 33 GLN H H 33 8.435 8.435 8.576 -0.141 19447
171 1 2 . 1 1 34 34 GLU N N 34 119.345 119.345 119.725 -0.380 19447
172 1 2 . 1 1 34 34 GLU H H 34 7.336 7.336 8.033 -0.697 19447
173 1 2 . 1 1 35 35 GLU N N 35 126.251 126.251 126.225 0.026 19447
174 1 2 . 1 1 35 35 GLU H H 35 8.352 8.352 8.872 -0.520 19447
175 1 2 . 1 1 36 36 GLY N N 36 111.344 111.344 114.317 -2.973 19447
176 1 2 . 1 1 36 36 GLY H H 36 8.510 8.510 8.849 -0.339 19447
177 1 2 . 1 1 37 37 TRP N N 37 119.200 119.200 121.553 -2.353 19447
178 1 2 . 1 1 37 37 TRP H H 37 7.727 7.727 7.826 -0.099 19447
179 1 2 . 1 1 38 38 LEU N N 38 123.025 123.025 123.851 -0.826 19447
180 1 2 . 1 1 38 38 LEU H H 38 8.402 8.402 8.692 -0.290 19447
181 1 2 . 1 1 39 39 GLU N N 39 117.576 117.576 119.856 -2.280 19447
182 1 2 . 1 1 39 39 GLU H H 39 8.457 8.457 8.694 -0.237 19447
183 1 2 . 1 1 40 40 GLY N N 40 110.793 110.793 111.797 -1.004 19447
184 1 2 . 1 1 40 40 GLY H H 40 8.765 8.765 8.409 0.356 19447
185 1 2 . 1 1 41 41 GLU N N 41 118.958 118.958 119.398 -0.440 19447
186 1 2 . 1 1 41 41 GLU H H 41 9.039 9.039 8.784 0.255 19447
187 1 2 . 1 1 42 42 LEU N N 42 127.681 127.681 126.098 1.583 19447
188 1 2 . 1 1 42 42 LEU H H 42 9.032 9.032 8.853 0.179 19447
189 1 2 . 1 1 43 43 ASN N N 43 126.687 126.687 124.539 2.148 19447
190 1 2 . 1 1 43 43 ASN H H 43 9.582 9.582 9.308 0.274 19447
191 1 2 . 1 1 44 44 GLY N N 44 104.039 104.039 103.792 0.247 19447
192 1 2 . 1 1 44 44 GLY H H 44 8.984 8.984 8.576 0.408 19447
193 1 2 . 1 1 45 45 ARG N N 45 120.104 120.104 119.968 0.136 19447
194 1 2 . 1 1 45 45 ARG H H 45 7.714 7.714 7.751 -0.037 19447
195 1 2 . 1 1 46 46 ARG N N 46 121.840 121.840 125.355 -3.515 19447
196 1 2 . 1 1 46 46 ARG H H 46 8.565 8.565 8.825 -0.260 19447
197 1 2 . 1 1 47 47 GLY N N 47 109.692 109.692 110.515 -0.823 19447
198 1 2 . 1 1 47 47 GLY H H 47 8.662 8.662 8.851 -0.189 19447
199 1 2 . 1 1 48 48 MET N N 48 117.200 117.200 119.655 -2.455 19447
200 1 2 . 1 1 48 48 MET H H 48 8.861 8.861 8.769 0.092 19447
201 1 2 . 1 1 49 49 PHE N N 49 116.718 116.718 116.853 -0.135 19447
202 1 2 . 1 1 49 49 PHE H H 49 8.829 8.829 8.623 0.206 19447
203 1 2 . 1 1 51 51 ASP N N 51 120.485 120.485 124.728 -4.243 19447
204 1 2 . 1 1 51 51 ASP H H 51 8.176 8.176 8.382 -0.206 19447
205 1 2 . 1 1 52 52 ASN N N 52 110.040 110.040 115.728 -5.688 19447
206 1 2 . 1 1 52 52 ASN H H 52 8.721 8.721 8.447 0.274 19447
207 1 2 . 1 1 53 53 PHE N N 53 117.961 117.961 114.553 3.408 19447
208 1 2 . 1 1 53 53 PHE H H 53 7.536 7.536 7.222 0.314 19447
209 1 2 . 1 1 54 54 VAL N N 54 109.981 109.981 114.274 -4.293 19447
210 1 2 . 1 1 54 54 VAL H H 54 7.464 7.464 7.648 -0.184 19447
211 1 2 . 1 1 55 55 LYS N N 55 120.357 120.357 123.927 -3.570 19447
212 1 2 . 1 1 55 55 LYS H H 55 9.156 9.156 8.879 0.277 19447
213 1 2 . 1 1 56 56 GLU N N 56 128.689 128.689 125.423 3.266 19447
214 1 2 . 1 1 56 56 GLU H H 56 8.677 8.677 8.668 0.009 19447
215 1 2 . 1 1 57 57 ILE N N 57 127.140 127.140 127.360 -0.220 19447
216 1 2 . 1 1 57 57 ILE H H 57 8.440 8.440 7.345 1.095 19447
217 1 3 . 1 1 3 3 ASP N N 3 128.606 128.606 121.715 6.891 19447
218 1 3 . 1 1 3 3 ASP H H 3 9.215 9.215 8.255 0.960 19447
219 1 3 . 1 1 4 4 TYR N N 4 120.150 120.150 119.380 0.770 19447
220 1 3 . 1 1 4 4 TYR H H 4 9.324 9.324 8.191 1.133 19447
221 1 3 . 1 1 5 5 ILE N N 5 119.250 119.250 120.340 -1.090 19447
222 1 3 . 1 1 5 5 ILE H H 5 9.418 9.418 8.997 0.421 19447
223 1 3 . 1 1 6 6 VAL N N 6 126.150 126.150 128.883 -2.733 19447
224 1 3 . 1 1 6 6 VAL H H 6 8.531 8.531 8.355 0.176 19447
225 1 3 . 1 1 7 7 GLU N N 7 129.289 129.289 129.342 -0.053 19447
226 1 3 . 1 1 7 7 GLU H H 7 9.240 9.240 8.615 0.625 19447
227 1 3 . 1 1 8 8 TYR N N 8 117.500 117.500 123.767 -6.267 19447
228 1 3 . 1 1 8 8 TYR H H 8 7.725 7.725 7.668 0.057 19447
229 1 3 . 1 1 9 9 ASP N N 9 118.964 118.964 120.095 -1.131 19447
230 1 3 . 1 1 9 9 ASP H H 9 8.026 8.026 7.736 0.290 19447
231 1 3 . 1 1 10 10 TYR N N 10 118.310 118.310 124.237 -5.927 19447
232 1 3 . 1 1 10 10 TYR H H 10 8.134 8.134 8.493 -0.359 19447
233 1 3 . 1 1 11 11 ASP N N 11 128.419 128.419 123.190 5.229 19447
234 1 3 . 1 1 11 11 ASP H H 11 7.807 7.807 7.790 0.017 19447
235 1 3 . 1 1 12 12 ALA N N 12 123.084 123.084 124.424 -1.340 19447
236 1 3 . 1 1 12 12 ALA H H 12 7.785 7.785 8.437 -0.652 19447
237 1 3 . 1 1 13 13 VAL N N 13 118.591 118.591 122.857 -4.266 19447
238 1 3 . 1 1 13 13 VAL H H 13 8.517 8.517 8.680 -0.163 19447
239 1 3 . 1 1 14 14 HIS N N 14 115.145 115.145 116.067 -0.922 19447
240 1 3 . 1 1 14 14 HIS H H 14 7.049 7.049 7.874 -0.825 19447
241 1 3 . 1 1 15 15 ASP N N 15 120.695 120.695 121.836 -1.141 19447
242 1 3 . 1 1 15 15 ASP H H 15 8.823 8.823 8.898 -0.075 19447
243 1 3 . 1 1 16 16 ASP N N 16 115.886 115.886 116.283 -0.397 19447
244 1 3 . 1 1 16 16 ASP H H 16 8.444 8.444 8.660 -0.216 19447
245 1 3 . 1 1 17 17 GLU N N 17 119.643 119.643 119.160 0.483 19447
246 1 3 . 1 1 17 17 GLU H H 17 7.762 7.762 7.530 0.232 19447
247 1 3 . 1 1 18 18 LEU N N 18 120.686 120.686 123.923 -3.237 19447
248 1 3 . 1 1 18 18 LEU H H 18 8.924 8.924 9.041 -0.117 19447
249 1 3 . 1 1 19 19 THR N N 19 117.228 117.228 116.223 1.005 19447
250 1 3 . 1 1 19 19 THR H H 19 7.462 7.462 8.398 -0.936 19447
251 1 3 . 1 1 20 20 ILE N N 20 121.475 121.475 120.783 0.692 19447
252 1 3 . 1 1 20 20 ILE H H 20 9.269 9.269 8.312 0.957 19447
253 1 3 . 1 1 21 21 ARG N N 21 124.941 124.941 126.402 -1.461 19447
254 1 3 . 1 1 21 21 ARG H H 21 8.809 8.809 8.581 0.228 19447
255 1 3 . 1 1 22 22 VAL N N 22 118.300 118.300 119.815 -1.515 19447
256 1 3 . 1 1 22 22 VAL H H 22 7.994 7.994 8.214 -0.220 19447
257 1 3 . 1 1 23 23 GLY N N 23 114.572 114.572 114.575 -0.003 19447
258 1 3 . 1 1 23 23 GLY H H 23 8.690 8.690 8.617 0.073 19447
259 1 3 . 1 1 24 24 GLU N N 24 120.005 120.005 123.117 -3.112 19447
260 1 3 . 1 1 24 24 GLU H H 24 8.076 8.076 8.251 -0.175 19447
261 1 3 . 1 1 25 25 ILE N N 25 119.376 119.376 120.860 -1.484 19447
262 1 3 . 1 1 25 25 ILE H H 25 7.972 7.972 8.105 -0.133 19447
263 1 3 . 1 1 26 26 ILE N N 26 128.357 128.357 125.366 2.991 19447
264 1 3 . 1 1 26 26 ILE H H 26 9.321 9.321 8.475 0.846 19447
265 1 3 . 1 1 27 27 ARG N N 27 123.620 123.620 127.797 -4.177 19447
266 1 3 . 1 1 27 27 ARG H H 27 8.655 8.655 8.831 -0.176 19447
267 1 3 . 1 1 28 28 ASN N N 28 117.452 117.452 116.266 1.186 19447
268 1 3 . 1 1 28 28 ASN H H 28 8.608 8.608 8.795 -0.187 19447
269 1 3 . 1 1 29 29 VAL N N 29 120.580 120.580 118.842 1.738 19447
270 1 3 . 1 1 29 29 VAL H H 29 8.661 8.661 7.589 1.072 19447
271 1 3 . 1 1 30 30 LYS N N 30 127.372 127.372 126.404 0.968 19447
272 1 3 . 1 1 30 30 LYS H H 30 9.384 9.384 8.976 0.408 19447
273 1 3 . 1 1 31 31 LYS N N 31 121.810 121.810 123.611 -1.801 19447
274 1 3 . 1 1 31 31 LYS H H 31 8.493 8.493 8.767 -0.274 19447
275 1 3 . 1 1 32 32 LEU N N 32 123.341 123.341 126.682 -3.341 19447
276 1 3 . 1 1 32 32 LEU H H 32 7.653 7.653 7.931 -0.278 19447
277 1 3 . 1 1 33 33 GLN N N 33 118.368 118.368 118.404 -0.036 19447
278 1 3 . 1 1 33 33 GLN H H 33 8.435 8.435 8.582 -0.147 19447
279 1 3 . 1 1 34 34 GLU N N 34 119.345 119.345 119.446 -0.101 19447
280 1 3 . 1 1 34 34 GLU H H 34 7.336 7.336 8.028 -0.692 19447
281 1 3 . 1 1 35 35 GLU N N 35 126.251 126.251 126.396 -0.145 19447
282 1 3 . 1 1 35 35 GLU H H 35 8.352 8.352 9.049 -0.697 19447
283 1 3 . 1 1 36 36 GLY N N 36 111.344 111.344 112.115 -0.771 19447
284 1 3 . 1 1 36 36 GLY H H 36 8.510 8.510 8.470 0.040 19447
285 1 3 . 1 1 37 37 TRP N N 37 119.200 119.200 120.409 -1.209 19447
286 1 3 . 1 1 37 37 TRP H H 37 7.727 7.727 7.743 -0.016 19447
287 1 3 . 1 1 38 38 LEU N N 38 123.025 123.025 122.358 0.667 19447
288 1 3 . 1 1 38 38 LEU H H 38 8.402 8.402 8.727 -0.325 19447
289 1 3 . 1 1 39 39 GLU N N 39 117.576 117.576 120.795 -3.219 19447
290 1 3 . 1 1 39 39 GLU H H 39 8.457 8.457 8.462 -0.005 19447
291 1 3 . 1 1 40 40 GLY N N 40 110.793 110.793 111.805 -1.012 19447
292 1 3 . 1 1 40 40 GLY H H 40 8.765 8.765 8.365 0.400 19447
293 1 3 . 1 1 41 41 GLU N N 41 118.958 118.958 120.636 -1.678 19447
294 1 3 . 1 1 41 41 GLU H H 41 9.039 9.039 8.539 0.500 19447
295 1 3 . 1 1 42 42 LEU N N 42 127.681 127.681 128.346 -0.665 19447
296 1 3 . 1 1 42 42 LEU H H 42 9.032 9.032 8.952 0.080 19447
297 1 3 . 1 1 43 43 ASN N N 43 126.687 126.687 124.537 2.150 19447
298 1 3 . 1 1 43 43 ASN H H 43 9.582 9.582 9.185 0.397 19447
299 1 3 . 1 1 44 44 GLY N N 44 104.039 104.039 103.170 0.869 19447
300 1 3 . 1 1 44 44 GLY H H 44 8.984 8.984 8.587 0.397 19447
301 1 3 . 1 1 45 45 ARG N N 45 120.104 120.104 119.842 0.262 19447
302 1 3 . 1 1 45 45 ARG H H 45 7.714 7.714 7.703 0.011 19447
303 1 3 . 1 1 46 46 ARG N N 46 121.840 121.840 125.686 -3.846 19447
304 1 3 . 1 1 46 46 ARG H H 46 8.565 8.565 8.869 -0.304 19447
305 1 3 . 1 1 47 47 GLY N N 47 109.692 109.692 110.854 -1.162 19447
306 1 3 . 1 1 47 47 GLY H H 47 8.662 8.662 8.851 -0.189 19447
307 1 3 . 1 1 48 48 MET N N 48 117.200 117.200 119.650 -2.450 19447
308 1 3 . 1 1 48 48 MET H H 48 8.861 8.861 8.786 0.075 19447
309 1 3 . 1 1 49 49 PHE N N 49 116.718 116.718 116.294 0.424 19447
310 1 3 . 1 1 49 49 PHE H H 49 8.829 8.829 8.895 -0.066 19447
311 1 3 . 1 1 51 51 ASP N N 51 120.485 120.485 122.964 -2.479 19447
312 1 3 . 1 1 51 51 ASP H H 51 8.176 8.176 8.078 0.098 19447
313 1 3 . 1 1 52 52 ASN N N 52 110.040 110.040 115.159 -5.119 19447
314 1 3 . 1 1 52 52 ASN H H 52 8.721 8.721 8.120 0.601 19447
315 1 3 . 1 1 53 53 PHE N N 53 117.961 117.961 116.062 1.899 19447
316 1 3 . 1 1 53 53 PHE H H 53 7.536 7.536 7.069 0.467 19447
317 1 3 . 1 1 54 54 VAL N N 54 109.981 109.981 119.040 -9.059 19447
318 1 3 . 1 1 54 54 VAL H H 54 7.464 7.464 7.451 0.013 19447
319 1 3 . 1 1 55 55 LYS N N 55 120.357 120.357 127.259 -6.902 19447
320 1 3 . 1 1 55 55 LYS H H 55 9.156 9.156 8.839 0.317 19447
321 1 3 . 1 1 56 56 GLU N N 56 128.689 128.689 124.482 4.207 19447
322 1 3 . 1 1 56 56 GLU H H 56 8.677 8.677 8.530 0.147 19447
323 1 3 . 1 1 57 57 ILE N N 57 127.140 127.140 125.151 1.989 19447
324 1 3 . 1 1 57 57 ILE H H 57 8.440 8.440 8.207 0.233 19447
325 1 4 . 1 1 3 3 ASP N N 3 128.606 128.606 122.563 6.043 19447
326 1 4 . 1 1 3 3 ASP H H 3 9.215 9.215 8.024 1.191 19447
327 1 4 . 1 1 4 4 TYR N N 4 120.150 120.150 121.146 -0.996 19447
328 1 4 . 1 1 4 4 TYR H H 4 9.324 9.324 8.291 1.033 19447
329 1 4 . 1 1 5 5 ILE N N 5 119.250 119.250 121.527 -2.277 19447
330 1 4 . 1 1 5 5 ILE H H 5 9.418 9.418 8.906 0.512 19447
331 1 4 . 1 1 6 6 VAL N N 6 126.150 126.150 127.215 -1.065 19447
332 1 4 . 1 1 6 6 VAL H H 6 8.531 8.531 8.965 -0.434 19447
333 1 4 . 1 1 7 7 GLU N N 7 129.289 129.289 127.772 1.517 19447
334 1 4 . 1 1 7 7 GLU H H 7 9.240 9.240 8.583 0.657 19447
335 1 4 . 1 1 8 8 TYR N N 8 117.500 117.500 122.135 -4.635 19447
336 1 4 . 1 1 8 8 TYR H H 8 7.725 7.725 7.727 -0.002 19447
337 1 4 . 1 1 9 9 ASP N N 9 118.964 118.964 120.091 -1.127 19447
338 1 4 . 1 1 9 9 ASP H H 9 8.026 8.026 8.512 -0.486 19447
339 1 4 . 1 1 10 10 TYR N N 10 118.310 118.310 121.879 -3.569 19447
340 1 4 . 1 1 10 10 TYR H H 10 8.134 8.134 7.543 0.591 19447
341 1 4 . 1 1 11 11 ASP N N 11 128.419 128.419 126.301 2.118 19447
342 1 4 . 1 1 11 11 ASP H H 11 7.807 7.807 7.726 0.081 19447
343 1 4 . 1 1 12 12 ALA N N 12 123.084 123.084 125.941 -2.857 19447
344 1 4 . 1 1 12 12 ALA H H 12 7.785 7.785 8.214 -0.429 19447
345 1 4 . 1 1 13 13 VAL N N 13 118.591 118.591 122.035 -3.444 19447
346 1 4 . 1 1 13 13 VAL H H 13 8.517 8.517 8.419 0.098 19447
347 1 4 . 1 1 14 14 HIS N N 14 115.145 115.145 118.400 -3.255 19447
348 1 4 . 1 1 14 14 HIS H H 14 7.049 7.049 7.616 -0.567 19447
349 1 4 . 1 1 15 15 ASP N N 15 120.695 120.695 121.750 -1.055 19447
350 1 4 . 1 1 15 15 ASP H H 15 8.823 8.823 8.346 0.477 19447
351 1 4 . 1 1 16 16 ASP N N 16 115.886 115.886 117.016 -1.130 19447
352 1 4 . 1 1 16 16 ASP H H 16 8.444 8.444 8.161 0.283 19447
353 1 4 . 1 1 17 17 GLU N N 17 119.643 119.643 118.931 0.712 19447
354 1 4 . 1 1 17 17 GLU H H 17 7.762 7.762 7.569 0.193 19447
355 1 4 . 1 1 18 18 LEU N N 18 120.686 120.686 125.912 -5.226 19447
356 1 4 . 1 1 18 18 LEU H H 18 8.924 8.924 8.867 0.057 19447
357 1 4 . 1 1 19 19 THR N N 19 117.228 117.228 120.637 -3.409 19447
358 1 4 . 1 1 19 19 THR H H 19 7.462 7.462 8.362 -0.900 19447
359 1 4 . 1 1 20 20 ILE N N 20 121.475 121.475 122.662 -1.187 19447
360 1 4 . 1 1 20 20 ILE H H 20 9.269 9.269 8.480 0.789 19447
361 1 4 . 1 1 21 21 ARG N N 21 124.941 124.941 125.760 -0.819 19447
362 1 4 . 1 1 21 21 ARG H H 21 8.809 8.809 8.504 0.305 19447
363 1 4 . 1 1 22 22 VAL N N 22 118.300 118.300 120.790 -2.490 19447
364 1 4 . 1 1 22 22 VAL H H 22 7.994 7.994 8.435 -0.441 19447
365 1 4 . 1 1 23 23 GLY N N 23 114.572 114.572 116.094 -1.522 19447
366 1 4 . 1 1 23 23 GLY H H 23 8.690 8.690 8.974 -0.284 19447
367 1 4 . 1 1 24 24 GLU N N 24 120.005 120.005 121.377 -1.372 19447
368 1 4 . 1 1 24 24 GLU H H 24 8.076 8.076 8.261 -0.185 19447
369 1 4 . 1 1 25 25 ILE N N 25 119.376 119.376 118.406 0.970 19447
370 1 4 . 1 1 25 25 ILE H H 25 7.972 7.972 8.155 -0.183 19447
371 1 4 . 1 1 26 26 ILE N N 26 128.357 128.357 121.909 6.448 19447
372 1 4 . 1 1 26 26 ILE H H 26 9.321 9.321 8.473 0.848 19447
373 1 4 . 1 1 27 27 ARG N N 27 123.620 123.620 126.758 -3.138 19447
374 1 4 . 1 1 27 27 ARG H H 27 8.655 8.655 8.833 -0.178 19447
375 1 4 . 1 1 28 28 ASN N N 28 117.452 117.452 118.958 -1.506 19447
376 1 4 . 1 1 28 28 ASN H H 28 8.608 8.608 8.613 -0.005 19447
377 1 4 . 1 1 29 29 VAL N N 29 120.580 120.580 114.305 6.275 19447
378 1 4 . 1 1 29 29 VAL H H 29 8.661 8.661 7.298 1.363 19447
379 1 4 . 1 1 30 30 LYS N N 30 127.372 127.372 128.474 -1.102 19447
380 1 4 . 1 1 30 30 LYS H H 30 9.384 9.384 8.923 0.461 19447
381 1 4 . 1 1 31 31 LYS N N 31 121.810 121.810 126.364 -4.554 19447
382 1 4 . 1 1 31 31 LYS H H 31 8.493 8.493 8.697 -0.204 19447
383 1 4 . 1 1 32 32 LEU N N 32 123.341 123.341 126.803 -3.462 19447
384 1 4 . 1 1 32 32 LEU H H 32 7.653 7.653 8.093 -0.440 19447
385 1 4 . 1 1 33 33 GLN N N 33 118.368 118.368 118.160 0.208 19447
386 1 4 . 1 1 33 33 GLN H H 33 8.435 8.435 8.418 0.017 19447
387 1 4 . 1 1 34 34 GLU N N 34 119.345 119.345 118.653 0.692 19447
388 1 4 . 1 1 34 34 GLU H H 34 7.336 7.336 7.738 -0.402 19447
389 1 4 . 1 1 35 35 GLU N N 35 126.251 126.251 125.231 1.020 19447
390 1 4 . 1 1 35 35 GLU H H 35 8.352 8.352 8.846 -0.494 19447
391 1 4 . 1 1 36 36 GLY N N 36 111.344 111.344 112.985 -1.641 19447
392 1 4 . 1 1 36 36 GLY H H 36 8.510 8.510 8.691 -0.181 19447
393 1 4 . 1 1 37 37 TRP N N 37 119.200 119.200 120.747 -1.547 19447
394 1 4 . 1 1 37 37 TRP H H 37 7.727 7.727 7.884 -0.157 19447
395 1 4 . 1 1 38 38 LEU N N 38 123.025 123.025 121.990 1.035 19447
396 1 4 . 1 1 38 38 LEU H H 38 8.402 8.402 8.278 0.124 19447
397 1 4 . 1 1 39 39 GLU N N 39 117.576 117.576 121.887 -4.311 19447
398 1 4 . 1 1 39 39 GLU H H 39 8.457 8.457 8.335 0.122 19447
399 1 4 . 1 1 40 40 GLY N N 40 110.793 110.793 111.542 -0.749 19447
400 1 4 . 1 1 40 40 GLY H H 40 8.765 8.765 8.477 0.288 19447
401 1 4 . 1 1 41 41 GLU N N 41 118.958 118.958 120.574 -1.616 19447
402 1 4 . 1 1 41 41 GLU H H 41 9.039 9.039 8.323 0.716 19447
403 1 4 . 1 1 42 42 LEU N N 42 127.681 127.681 124.612 3.069 19447
404 1 4 . 1 1 42 42 LEU H H 42 9.032 9.032 8.651 0.381 19447
405 1 4 . 1 1 43 43 ASN N N 43 126.687 126.687 122.215 4.472 19447
406 1 4 . 1 1 43 43 ASN H H 43 9.582 9.582 9.228 0.354 19447
407 1 4 . 1 1 44 44 GLY N N 44 104.039 104.039 102.557 1.482 19447
408 1 4 . 1 1 44 44 GLY H H 44 8.984 8.984 8.664 0.320 19447
409 1 4 . 1 1 45 45 ARG N N 45 120.104 120.104 118.553 1.551 19447
410 1 4 . 1 1 45 45 ARG H H 45 7.714 7.714 7.743 -0.029 19447
411 1 4 . 1 1 46 46 ARG N N 46 121.840 121.840 125.969 -4.129 19447
412 1 4 . 1 1 46 46 ARG H H 46 8.565 8.565 8.717 -0.152 19447
413 1 4 . 1 1 47 47 GLY N N 47 109.692 109.692 111.471 -1.779 19447
414 1 4 . 1 1 47 47 GLY H H 47 8.662 8.662 8.771 -0.109 19447
415 1 4 . 1 1 48 48 MET N N 48 117.200 117.200 119.817 -2.617 19447
416 1 4 . 1 1 48 48 MET H H 48 8.861 8.861 8.855 0.006 19447
417 1 4 . 1 1 49 49 PHE N N 49 116.718 116.718 117.022 -0.304 19447
418 1 4 . 1 1 49 49 PHE H H 49 8.829 8.829 8.615 0.214 19447
419 1 4 . 1 1 51 51 ASP N N 51 120.485 120.485 123.509 -3.024 19447
420 1 4 . 1 1 51 51 ASP H H 51 8.176 8.176 8.055 0.121 19447
421 1 4 . 1 1 52 52 ASN N N 52 110.040 110.040 114.792 -4.752 19447
422 1 4 . 1 1 52 52 ASN H H 52 8.721 8.721 8.232 0.489 19447
423 1 4 . 1 1 53 53 PHE N N 53 117.961 117.961 115.362 2.599 19447
424 1 4 . 1 1 53 53 PHE H H 53 7.536 7.536 7.495 0.041 19447
425 1 4 . 1 1 54 54 VAL N N 54 109.981 109.981 120.493 -10.512 19447
426 1 4 . 1 1 54 54 VAL H H 54 7.464 7.464 7.380 0.084 19447
427 1 4 . 1 1 55 55 LYS N N 55 120.357 120.357 127.915 -7.558 19447
428 1 4 . 1 1 55 55 LYS H H 55 9.156 9.156 8.832 0.324 19447
429 1 4 . 1 1 56 56 GLU N N 56 128.689 128.689 126.007 2.682 19447
430 1 4 . 1 1 56 56 GLU H H 56 8.677 8.677 8.485 0.192 19447
431 1 4 . 1 1 57 57 ILE N N 57 127.140 127.140 127.208 -0.068 19447
432 1 4 . 1 1 57 57 ILE H H 57 8.440 8.440 8.073 0.367 19447
433 1 5 . 1 1 3 3 ASP N N 3 128.606 128.606 122.024 6.582 19447
434 1 5 . 1 1 3 3 ASP H H 3 9.215 9.215 7.697 1.518 19447
435 1 5 . 1 1 4 4 TYR N N 4 120.150 120.150 121.571 -1.421 19447
436 1 5 . 1 1 4 4 TYR H H 4 9.324 9.324 9.034 0.290 19447
437 1 5 . 1 1 5 5 ILE N N 5 119.250 119.250 122.144 -2.894 19447
438 1 5 . 1 1 5 5 ILE H H 5 9.418 9.418 8.725 0.693 19447
439 1 5 . 1 1 6 6 VAL N N 6 126.150 126.150 128.857 -2.707 19447
440 1 5 . 1 1 6 6 VAL H H 6 8.531 8.531 8.981 -0.450 19447
441 1 5 . 1 1 7 7 GLU N N 7 129.289 129.289 129.859 -0.570 19447
442 1 5 . 1 1 7 7 GLU H H 7 9.240 9.240 8.756 0.484 19447
443 1 5 . 1 1 8 8 TYR N N 8 117.500 117.500 123.097 -5.597 19447
444 1 5 . 1 1 8 8 TYR H H 8 7.725 7.725 7.730 -0.005 19447
445 1 5 . 1 1 9 9 ASP N N 9 118.964 118.964 121.853 -2.889 19447
446 1 5 . 1 1 9 9 ASP H H 9 8.026 8.026 7.173 0.853 19447
447 1 5 . 1 1 10 10 TYR N N 10 118.310 118.310 127.448 -9.138 19447
448 1 5 . 1 1 10 10 TYR H H 10 8.134 8.134 8.707 -0.573 19447
449 1 5 . 1 1 11 11 ASP N N 11 128.419 128.419 126.300 2.119 19447
450 1 5 . 1 1 11 11 ASP H H 11 7.807 7.807 8.558 -0.751 19447
451 1 5 . 1 1 12 12 ALA N N 12 123.084 123.084 126.783 -3.699 19447
452 1 5 . 1 1 12 12 ALA H H 12 7.785 7.785 8.356 -0.571 19447
453 1 5 . 1 1 13 13 VAL N N 13 118.591 118.591 117.553 1.038 19447
454 1 5 . 1 1 13 13 VAL H H 13 8.517 8.517 8.108 0.409 19447
455 1 5 . 1 1 14 14 HIS N N 14 115.145 115.145 119.772 -4.627 19447
456 1 5 . 1 1 14 14 HIS H H 14 7.049 7.049 7.620 -0.571 19447
457 1 5 . 1 1 15 15 ASP N N 15 120.695 120.695 120.919 -0.224 19447
458 1 5 . 1 1 15 15 ASP H H 15 8.823 8.823 7.716 1.107 19447
459 1 5 . 1 1 16 16 ASP N N 16 115.886 115.886 118.519 -2.633 19447
460 1 5 . 1 1 16 16 ASP H H 16 8.444 8.444 8.081 0.363 19447
461 1 5 . 1 1 17 17 GLU N N 17 119.643 119.643 118.682 0.961 19447
462 1 5 . 1 1 17 17 GLU H H 17 7.762 7.762 7.194 0.568 19447
463 1 5 . 1 1 18 18 LEU N N 18 120.686 120.686 124.655 -3.969 19447
464 1 5 . 1 1 18 18 LEU H H 18 8.924 8.924 9.094 -0.170 19447
465 1 5 . 1 1 19 19 THR N N 19 117.228 117.228 119.385 -2.157 19447
466 1 5 . 1 1 19 19 THR H H 19 7.462 7.462 8.321 -0.859 19447
467 1 5 . 1 1 20 20 ILE N N 20 121.475 121.475 121.670 -0.195 19447
468 1 5 . 1 1 20 20 ILE H H 20 9.269 9.269 7.959 1.310 19447
469 1 5 . 1 1 21 21 ARG N N 21 124.941 124.941 123.650 1.291 19447
470 1 5 . 1 1 21 21 ARG H H 21 8.809 8.809 8.559 0.250 19447
471 1 5 . 1 1 22 22 VAL N N 22 118.300 118.300 121.510 -3.210 19447
472 1 5 . 1 1 22 22 VAL H H 22 7.994 7.994 8.137 -0.143 19447
473 1 5 . 1 1 23 23 GLY N N 23 114.572 114.572 115.571 -0.999 19447
474 1 5 . 1 1 23 23 GLY H H 23 8.690 8.690 8.435 0.255 19447
475 1 5 . 1 1 24 24 GLU N N 24 120.005 120.005 121.518 -1.513 19447
476 1 5 . 1 1 24 24 GLU H H 24 8.076 8.076 8.108 -0.032 19447
477 1 5 . 1 1 25 25 ILE N N 25 119.376 119.376 123.227 -3.851 19447
478 1 5 . 1 1 25 25 ILE H H 25 7.972 7.972 8.344 -0.372 19447
479 1 5 . 1 1 26 26 ILE N N 26 128.357 128.357 130.100 -1.743 19447
480 1 5 . 1 1 26 26 ILE H H 26 9.321 9.321 8.794 0.527 19447
481 1 5 . 1 1 27 27 ARG N N 27 123.620 123.620 127.547 -3.927 19447
482 1 5 . 1 1 27 27 ARG H H 27 8.655 8.655 8.702 -0.047 19447
483 1 5 . 1 1 28 28 ASN N N 28 117.452 117.452 116.725 0.727 19447
484 1 5 . 1 1 28 28 ASN H H 28 8.608 8.608 8.936 -0.328 19447
485 1 5 . 1 1 29 29 VAL N N 29 120.580 120.580 119.912 0.668 19447
486 1 5 . 1 1 29 29 VAL H H 29 8.661 8.661 8.123 0.538 19447
487 1 5 . 1 1 30 30 LYS N N 30 127.372 127.372 128.891 -1.519 19447
488 1 5 . 1 1 30 30 LYS H H 30 9.384 9.384 8.871 0.513 19447
489 1 5 . 1 1 31 31 LYS N N 31 121.810 121.810 126.928 -5.118 19447
490 1 5 . 1 1 31 31 LYS H H 31 8.493 8.493 8.596 -0.103 19447
491 1 5 . 1 1 32 32 LEU N N 32 123.341 123.341 126.033 -2.692 19447
492 1 5 . 1 1 32 32 LEU H H 32 7.653 7.653 7.835 -0.182 19447
493 1 5 . 1 1 33 33 GLN N N 33 118.368 118.368 118.676 -0.308 19447
494 1 5 . 1 1 33 33 GLN H H 33 8.435 8.435 8.477 -0.042 19447
495 1 5 . 1 1 34 34 GLU N N 34 119.345 119.345 120.486 -1.141 19447
496 1 5 . 1 1 34 34 GLU H H 34 7.336 7.336 8.266 -0.930 19447
497 1 5 . 1 1 35 35 GLU N N 35 126.251 126.251 125.461 0.790 19447
498 1 5 . 1 1 35 35 GLU H H 35 8.352 8.352 8.884 -0.532 19447
499 1 5 . 1 1 36 36 GLY N N 36 111.344 111.344 109.918 1.426 19447
500 1 5 . 1 1 36 36 GLY H H 36 8.510 8.510 8.573 -0.063 19447
501 1 5 . 1 1 37 37 TRP N N 37 119.200 119.200 121.321 -2.121 19447
502 1 5 . 1 1 37 37 TRP H H 37 7.727 7.727 7.574 0.153 19447
503 1 5 . 1 1 38 38 LEU N N 38 123.025 123.025 121.197 1.828 19447
504 1 5 . 1 1 38 38 LEU H H 38 8.402 8.402 8.823 -0.421 19447
505 1 5 . 1 1 39 39 GLU N N 39 117.576 117.576 119.361 -1.785 19447
506 1 5 . 1 1 39 39 GLU H H 39 8.457 8.457 8.360 0.097 19447
507 1 5 . 1 1 40 40 GLY N N 40 110.793 110.793 111.742 -0.949 19447
508 1 5 . 1 1 40 40 GLY H H 40 8.765 8.765 8.418 0.347 19447
509 1 5 . 1 1 41 41 GLU N N 41 118.958 118.958 120.289 -1.331 19447
510 1 5 . 1 1 41 41 GLU H H 41 9.039 9.039 8.610 0.429 19447
511 1 5 . 1 1 42 42 LEU N N 42 127.681 127.681 126.225 1.456 19447
512 1 5 . 1 1 42 42 LEU H H 42 9.032 9.032 8.777 0.255 19447
513 1 5 . 1 1 43 43 ASN N N 43 126.687 126.687 124.984 1.703 19447
514 1 5 . 1 1 43 43 ASN H H 43 9.582 9.582 9.283 0.299 19447
515 1 5 . 1 1 44 44 GLY N N 44 104.039 104.039 104.529 -0.490 19447
516 1 5 . 1 1 44 44 GLY H H 44 8.984 8.984 8.482 0.502 19447
517 1 5 . 1 1 45 45 ARG N N 45 120.104 120.104 120.664 -0.560 19447
518 1 5 . 1 1 45 45 ARG H H 45 7.714 7.714 7.648 0.066 19447
519 1 5 . 1 1 46 46 ARG N N 46 121.840 121.840 127.579 -5.739 19447
520 1 5 . 1 1 46 46 ARG H H 46 8.565 8.565 8.706 -0.141 19447
521 1 5 . 1 1 47 47 GLY N N 47 109.692 109.692 111.732 -2.040 19447
522 1 5 . 1 1 47 47 GLY H H 47 8.662 8.662 8.842 -0.180 19447
523 1 5 . 1 1 48 48 MET N N 48 117.200 117.200 119.657 -2.457 19447
524 1 5 . 1 1 48 48 MET H H 48 8.861 8.861 8.766 0.095 19447
525 1 5 . 1 1 49 49 PHE N N 49 116.718 116.718 115.686 1.032 19447
526 1 5 . 1 1 49 49 PHE H H 49 8.829 8.829 8.714 0.115 19447
527 1 5 . 1 1 51 51 ASP N N 51 120.485 120.485 123.668 -3.183 19447
528 1 5 . 1 1 51 51 ASP H H 51 8.176 8.176 8.275 -0.099 19447
529 1 5 . 1 1 52 52 ASN N N 52 110.040 110.040 116.343 -6.303 19447
530 1 5 . 1 1 52 52 ASN H H 52 8.721 8.721 8.401 0.320 19447
531 1 5 . 1 1 53 53 PHE N N 53 117.961 117.961 115.916 2.045 19447
532 1 5 . 1 1 53 53 PHE H H 53 7.536 7.536 7.446 0.090 19447
533 1 5 . 1 1 54 54 VAL N N 54 109.981 109.981 114.562 -4.581 19447
534 1 5 . 1 1 54 54 VAL H H 54 7.464 7.464 7.483 -0.019 19447
535 1 5 . 1 1 55 55 LYS N N 55 120.357 120.357 124.563 -4.206 19447
536 1 5 . 1 1 55 55 LYS H H 55 9.156 9.156 8.535 0.621 19447
537 1 5 . 1 1 56 56 GLU N N 56 128.689 128.689 126.402 2.287 19447
538 1 5 . 1 1 56 56 GLU H H 56 8.677 8.677 8.579 0.098 19447
539 1 5 . 1 1 57 57 ILE N N 57 127.140 127.140 127.793 -0.653 19447
540 1 5 . 1 1 57 57 ILE H H 57 8.440 8.440 7.586 0.854 19447
541 1 6 . 1 1 3 3 ASP N N 3 128.606 128.606 120.652 7.954 19447
542 1 6 . 1 1 3 3 ASP H H 3 9.215 9.215 7.710 1.505 19447
543 1 6 . 1 1 4 4 TYR N N 4 120.150 120.150 119.504 0.646 19447
544 1 6 . 1 1 4 4 TYR H H 4 9.324 9.324 8.426 0.898 19447
545 1 6 . 1 1 5 5 ILE N N 5 119.250 119.250 120.321 -1.071 19447
546 1 6 . 1 1 5 5 ILE H H 5 9.418 9.418 9.130 0.288 19447
547 1 6 . 1 1 6 6 VAL N N 6 126.150 126.150 128.516 -2.366 19447
548 1 6 . 1 1 6 6 VAL H H 6 8.531 8.531 8.823 -0.292 19447
549 1 6 . 1 1 7 7 GLU N N 7 129.289 129.289 129.717 -0.428 19447
550 1 6 . 1 1 7 7 GLU H H 7 9.240 9.240 8.348 0.892 19447
551 1 6 . 1 1 8 8 TYR N N 8 117.500 117.500 124.072 -6.572 19447
552 1 6 . 1 1 8 8 TYR H H 8 7.725 7.725 7.774 -0.049 19447
553 1 6 . 1 1 9 9 ASP N N 9 118.964 118.964 119.507 -0.543 19447
554 1 6 . 1 1 9 9 ASP H H 9 8.026 8.026 8.770 -0.744 19447
555 1 6 . 1 1 10 10 TYR N N 10 118.310 118.310 121.832 -3.522 19447
556 1 6 . 1 1 10 10 TYR H H 10 8.134 8.134 8.023 0.111 19447
557 1 6 . 1 1 11 11 ASP N N 11 128.419 128.419 124.249 4.170 19447
558 1 6 . 1 1 11 11 ASP H H 11 7.807 7.807 7.865 -0.058 19447
559 1 6 . 1 1 12 12 ALA N N 12 123.084 123.084 126.259 -3.175 19447
560 1 6 . 1 1 12 12 ALA H H 12 7.785 7.785 8.027 -0.242 19447
561 1 6 . 1 1 13 13 VAL N N 13 118.591 118.591 117.380 1.211 19447
562 1 6 . 1 1 13 13 VAL H H 13 8.517 8.517 8.065 0.452 19447
563 1 6 . 1 1 14 14 HIS N N 14 115.145 115.145 116.726 -1.581 19447
564 1 6 . 1 1 14 14 HIS H H 14 7.049 7.049 7.591 -0.542 19447
565 1 6 . 1 1 15 15 ASP N N 15 120.695 120.695 121.524 -0.829 19447
566 1 6 . 1 1 15 15 ASP H H 15 8.823 8.823 8.774 0.049 19447
567 1 6 . 1 1 16 16 ASP N N 16 115.886 115.886 115.813 0.073 19447
568 1 6 . 1 1 16 16 ASP H H 16 8.444 8.444 8.463 -0.019 19447
569 1 6 . 1 1 17 17 GLU N N 17 119.643 119.643 119.606 0.037 19447
570 1 6 . 1 1 17 17 GLU H H 17 7.762 7.762 7.292 0.470 19447
571 1 6 . 1 1 18 18 LEU N N 18 120.686 120.686 125.380 -4.694 19447
572 1 6 . 1 1 18 18 LEU H H 18 8.924 8.924 8.812 0.112 19447
573 1 6 . 1 1 19 19 THR N N 19 117.228 117.228 119.105 -1.877 19447
574 1 6 . 1 1 19 19 THR H H 19 7.462 7.462 8.391 -0.929 19447
575 1 6 . 1 1 20 20 ILE N N 20 121.475 121.475 123.559 -2.084 19447
576 1 6 . 1 1 20 20 ILE H H 20 9.269 9.269 8.097 1.172 19447
577 1 6 . 1 1 21 21 ARG N N 21 124.941 124.941 125.330 -0.389 19447
578 1 6 . 1 1 21 21 ARG H H 21 8.809 8.809 8.501 0.308 19447
579 1 6 . 1 1 22 22 VAL N N 22 118.300 118.300 120.163 -1.863 19447
580 1 6 . 1 1 22 22 VAL H H 22 7.994 7.994 8.162 -0.168 19447
581 1 6 . 1 1 23 23 GLY N N 23 114.572 114.572 114.602 -0.030 19447
582 1 6 . 1 1 23 23 GLY H H 23 8.690 8.690 8.393 0.297 19447
583 1 6 . 1 1 24 24 GLU N N 24 120.005 120.005 121.719 -1.714 19447
584 1 6 . 1 1 24 24 GLU H H 24 8.076 8.076 8.075 0.001 19447
585 1 6 . 1 1 25 25 ILE N N 25 119.376 119.376 123.884 -4.508 19447
586 1 6 . 1 1 25 25 ILE H H 25 7.972 7.972 8.259 -0.287 19447
587 1 6 . 1 1 26 26 ILE N N 26 128.357 128.357 128.615 -0.258 19447
588 1 6 . 1 1 26 26 ILE H H 26 9.321 9.321 8.532 0.789 19447
589 1 6 . 1 1 27 27 ARG N N 27 123.620 123.620 127.959 -4.339 19447
590 1 6 . 1 1 27 27 ARG H H 27 8.655 8.655 8.754 -0.099 19447
591 1 6 . 1 1 28 28 ASN N N 28 117.452 117.452 118.264 -0.812 19447
592 1 6 . 1 1 28 28 ASN H H 28 8.608 8.608 8.962 -0.354 19447
593 1 6 . 1 1 29 29 VAL N N 29 120.580 120.580 120.826 -0.246 19447
594 1 6 . 1 1 29 29 VAL H H 29 8.661 8.661 8.363 0.298 19447
595 1 6 . 1 1 30 30 LYS N N 30 127.372 127.372 126.388 0.984 19447
596 1 6 . 1 1 30 30 LYS H H 30 9.384 9.384 8.921 0.463 19447
597 1 6 . 1 1 31 31 LYS N N 31 121.810 121.810 124.325 -2.515 19447
598 1 6 . 1 1 31 31 LYS H H 31 8.493 8.493 8.564 -0.071 19447
599 1 6 . 1 1 32 32 LEU N N 32 123.341 123.341 125.967 -2.626 19447
600 1 6 . 1 1 32 32 LEU H H 32 7.653 7.653 7.989 -0.336 19447
601 1 6 . 1 1 33 33 GLN N N 33 118.368 118.368 117.472 0.896 19447
602 1 6 . 1 1 33 33 GLN H H 33 8.435 8.435 8.374 0.061 19447
603 1 6 . 1 1 34 34 GLU N N 34 119.345 119.345 118.639 0.706 19447
604 1 6 . 1 1 34 34 GLU H H 34 7.336 7.336 7.957 -0.621 19447
605 1 6 . 1 1 35 35 GLU N N 35 126.251 126.251 125.184 1.067 19447
606 1 6 . 1 1 35 35 GLU H H 35 8.352 8.352 8.786 -0.434 19447
607 1 6 . 1 1 36 36 GLY N N 36 111.344 111.344 112.126 -0.782 19447
608 1 6 . 1 1 36 36 GLY H H 36 8.510 8.510 8.931 -0.421 19447
609 1 6 . 1 1 37 37 TRP N N 37 119.200 119.200 121.960 -2.760 19447
610 1 6 . 1 1 37 37 TRP H H 37 7.727 7.727 7.758 -0.031 19447
611 1 6 . 1 1 38 38 LEU N N 38 123.025 123.025 122.645 0.380 19447
612 1 6 . 1 1 38 38 LEU H H 38 8.402 8.402 8.289 0.113 19447
613 1 6 . 1 1 39 39 GLU N N 39 117.576 117.576 120.242 -2.666 19447
614 1 6 . 1 1 39 39 GLU H H 39 8.457 8.457 8.622 -0.165 19447
615 1 6 . 1 1 40 40 GLY N N 40 110.793 110.793 111.513 -0.720 19447
616 1 6 . 1 1 40 40 GLY H H 40 8.765 8.765 8.102 0.663 19447
617 1 6 . 1 1 41 41 GLU N N 41 118.958 118.958 120.824 -1.866 19447
618 1 6 . 1 1 41 41 GLU H H 41 9.039 9.039 8.478 0.561 19447
619 1 6 . 1 1 42 42 LEU N N 42 127.681 127.681 128.024 -0.343 19447
620 1 6 . 1 1 42 42 LEU H H 42 9.032 9.032 8.547 0.485 19447
621 1 6 . 1 1 43 43 ASN N N 43 126.687 126.687 123.690 2.997 19447
622 1 6 . 1 1 43 43 ASN H H 43 9.582 9.582 9.347 0.235 19447
623 1 6 . 1 1 44 44 GLY N N 44 104.039 104.039 102.302 1.737 19447
624 1 6 . 1 1 44 44 GLY H H 44 8.984 8.984 8.307 0.677 19447
625 1 6 . 1 1 45 45 ARG N N 45 120.104 120.104 121.961 -1.857 19447
626 1 6 . 1 1 45 45 ARG H H 45 7.714 7.714 7.554 0.160 19447
627 1 6 . 1 1 46 46 ARG N N 46 121.840 121.840 127.582 -5.742 19447
628 1 6 . 1 1 46 46 ARG H H 46 8.565 8.565 8.699 -0.134 19447
629 1 6 . 1 1 47 47 GLY N N 47 109.692 109.692 110.661 -0.969 19447
630 1 6 . 1 1 47 47 GLY H H 47 8.662 8.662 8.619 0.043 19447
631 1 6 . 1 1 48 48 MET N N 48 117.200 117.200 119.306 -2.106 19447
632 1 6 . 1 1 48 48 MET H H 48 8.861 8.861 8.524 0.337 19447
633 1 6 . 1 1 49 49 PHE N N 49 116.718 116.718 116.817 -0.099 19447
634 1 6 . 1 1 49 49 PHE H H 49 8.829 8.829 8.144 0.685 19447
635 1 6 . 1 1 51 51 ASP N N 51 120.485 120.485 124.452 -3.967 19447
636 1 6 . 1 1 51 51 ASP H H 51 8.176 8.176 8.482 -0.306 19447
637 1 6 . 1 1 52 52 ASN N N 52 110.040 110.040 117.568 -7.528 19447
638 1 6 . 1 1 52 52 ASN H H 52 8.721 8.721 8.785 -0.064 19447
639 1 6 . 1 1 53 53 PHE N N 53 117.961 117.961 115.286 2.675 19447
640 1 6 . 1 1 53 53 PHE H H 53 7.536 7.536 7.629 -0.093 19447
641 1 6 . 1 1 54 54 VAL N N 54 109.981 109.981 117.311 -7.330 19447
642 1 6 . 1 1 54 54 VAL H H 54 7.464 7.464 7.530 -0.066 19447
643 1 6 . 1 1 55 55 LYS N N 55 120.357 120.357 123.094 -2.737 19447
644 1 6 . 1 1 55 55 LYS H H 55 9.156 9.156 9.018 0.138 19447
645 1 6 . 1 1 56 56 GLU N N 56 128.689 128.689 123.238 5.451 19447
646 1 6 . 1 1 56 56 GLU H H 56 8.677 8.677 8.651 0.026 19447
647 1 6 . 1 1 57 57 ILE N N 57 127.140 127.140 123.506 3.634 19447
648 1 6 . 1 1 57 57 ILE H H 57 8.440 8.440 7.264 1.176 19447
649 1 7 . 1 1 3 3 ASP N N 3 128.606 128.606 119.735 8.871 19447
650 1 7 . 1 1 3 3 ASP H H 3 9.215 9.215 8.587 0.628 19447
651 1 7 . 1 1 4 4 TYR N N 4 120.150 120.150 119.332 0.818 19447
652 1 7 . 1 1 4 4 TYR H H 4 9.324 9.324 8.613 0.711 19447
653 1 7 . 1 1 5 5 ILE N N 5 119.250 119.250 117.527 1.723 19447
654 1 7 . 1 1 5 5 ILE H H 5 9.418 9.418 9.143 0.275 19447
655 1 7 . 1 1 6 6 VAL N N 6 126.150 126.150 122.731 3.419 19447
656 1 7 . 1 1 6 6 VAL H H 6 8.531 8.531 8.503 0.028 19447
657 1 7 . 1 1 7 7 GLU N N 7 129.289 129.289 128.069 1.220 19447
658 1 7 . 1 1 7 7 GLU H H 7 9.240 9.240 8.809 0.431 19447
659 1 7 . 1 1 8 8 TYR N N 8 117.500 117.500 121.496 -3.996 19447
660 1 7 . 1 1 8 8 TYR H H 8 7.725 7.725 7.691 0.034 19447
661 1 7 . 1 1 9 9 ASP N N 9 118.964 118.964 119.933 -0.969 19447
662 1 7 . 1 1 9 9 ASP H H 9 8.026 8.026 8.492 -0.466 19447
663 1 7 . 1 1 10 10 TYR N N 10 118.310 118.310 124.276 -5.966 19447
664 1 7 . 1 1 10 10 TYR H H 10 8.134 8.134 8.348 -0.214 19447
665 1 7 . 1 1 11 11 ASP N N 11 128.419 128.419 125.166 3.253 19447
666 1 7 . 1 1 11 11 ASP H H 11 7.807 7.807 7.960 -0.153 19447
667 1 7 . 1 1 12 12 ALA N N 12 123.084 123.084 127.213 -4.129 19447
668 1 7 . 1 1 12 12 ALA H H 12 7.785 7.785 8.581 -0.796 19447
669 1 7 . 1 1 13 13 VAL N N 13 118.591 118.591 118.436 0.155 19447
670 1 7 . 1 1 13 13 VAL H H 13 8.517 8.517 8.372 0.145 19447
671 1 7 . 1 1 14 14 HIS N N 14 115.145 115.145 115.542 -0.397 19447
672 1 7 . 1 1 14 14 HIS H H 14 7.049 7.049 7.229 -0.180 19447
673 1 7 . 1 1 15 15 ASP N N 15 120.695 120.695 120.017 0.678 19447
674 1 7 . 1 1 15 15 ASP H H 15 8.823 8.823 8.738 0.085 19447
675 1 7 . 1 1 16 16 ASP N N 16 115.886 115.886 117.596 -1.710 19447
676 1 7 . 1 1 16 16 ASP H H 16 8.444 8.444 8.732 -0.288 19447
677 1 7 . 1 1 17 17 GLU N N 17 119.643 119.643 118.889 0.754 19447
678 1 7 . 1 1 17 17 GLU H H 17 7.762 7.762 7.200 0.562 19447
679 1 7 . 1 1 18 18 LEU N N 18 120.686 120.686 124.547 -3.861 19447
680 1 7 . 1 1 18 18 LEU H H 18 8.924 8.924 8.582 0.342 19447
681 1 7 . 1 1 19 19 THR N N 19 117.228 117.228 120.428 -3.200 19447
682 1 7 . 1 1 19 19 THR H H 19 7.462 7.462 8.480 -1.018 19447
683 1 7 . 1 1 20 20 ILE N N 20 121.475 121.475 124.007 -2.532 19447
684 1 7 . 1 1 20 20 ILE H H 20 9.269 9.269 8.229 1.040 19447
685 1 7 . 1 1 21 21 ARG N N 21 124.941 124.941 125.369 -0.428 19447
686 1 7 . 1 1 21 21 ARG H H 21 8.809 8.809 8.601 0.208 19447
687 1 7 . 1 1 22 22 VAL N N 22 118.300 118.300 121.447 -3.147 19447
688 1 7 . 1 1 22 22 VAL H H 22 7.994 7.994 8.256 -0.262 19447
689 1 7 . 1 1 23 23 GLY N N 23 114.572 114.572 114.860 -0.288 19447
690 1 7 . 1 1 23 23 GLY H H 23 8.690 8.690 8.680 0.010 19447
691 1 7 . 1 1 24 24 GLU N N 24 120.005 120.005 122.552 -2.547 19447
692 1 7 . 1 1 24 24 GLU H H 24 8.076 8.076 8.138 -0.062 19447
693 1 7 . 1 1 25 25 ILE N N 25 119.376 119.376 125.209 -5.833 19447
694 1 7 . 1 1 25 25 ILE H H 25 7.972 7.972 8.395 -0.423 19447
695 1 7 . 1 1 26 26 ILE N N 26 128.357 128.357 128.173 0.184 19447
696 1 7 . 1 1 26 26 ILE H H 26 9.321 9.321 8.716 0.605 19447
697 1 7 . 1 1 27 27 ARG N N 27 123.620 123.620 126.768 -3.148 19447
698 1 7 . 1 1 27 27 ARG H H 27 8.655 8.655 8.660 -0.005 19447
699 1 7 . 1 1 28 28 ASN N N 28 117.452 117.452 117.187 0.265 19447
700 1 7 . 1 1 28 28 ASN H H 28 8.608 8.608 8.654 -0.046 19447
701 1 7 . 1 1 29 29 VAL N N 29 120.580 120.580 116.696 3.884 19447
702 1 7 . 1 1 29 29 VAL H H 29 8.661 8.661 8.556 0.105 19447
703 1 7 . 1 1 30 30 LYS N N 30 127.372 127.372 125.825 1.547 19447
704 1 7 . 1 1 30 30 LYS H H 30 9.384 9.384 8.825 0.559 19447
705 1 7 . 1 1 31 31 LYS N N 31 121.810 121.810 125.446 -3.636 19447
706 1 7 . 1 1 31 31 LYS H H 31 8.493 8.493 8.632 -0.139 19447
707 1 7 . 1 1 32 32 LEU N N 32 123.341 123.341 125.833 -2.492 19447
708 1 7 . 1 1 32 32 LEU H H 32 7.653 7.653 7.674 -0.021 19447
709 1 7 . 1 1 33 33 GLN N N 33 118.368 118.368 117.228 1.140 19447
710 1 7 . 1 1 33 33 GLN H H 33 8.435 8.435 8.503 -0.068 19447
711 1 7 . 1 1 34 34 GLU N N 34 119.345 119.345 119.527 -0.182 19447
712 1 7 . 1 1 34 34 GLU H H 34 7.336 7.336 7.992 -0.656 19447
713 1 7 . 1 1 35 35 GLU N N 35 126.251 126.251 126.046 0.205 19447
714 1 7 . 1 1 35 35 GLU H H 35 8.352 8.352 8.854 -0.502 19447
715 1 7 . 1 1 36 36 GLY N N 36 111.344 111.344 113.799 -2.455 19447
716 1 7 . 1 1 36 36 GLY H H 36 8.510 8.510 8.858 -0.348 19447
717 1 7 . 1 1 37 37 TRP N N 37 119.200 119.200 121.377 -2.177 19447
718 1 7 . 1 1 37 37 TRP H H 37 7.727 7.727 7.767 -0.040 19447
719 1 7 . 1 1 38 38 LEU N N 38 123.025 123.025 122.849 0.176 19447
720 1 7 . 1 1 38 38 LEU H H 38 8.402 8.402 8.401 0.001 19447
721 1 7 . 1 1 39 39 GLU N N 39 117.576 117.576 119.969 -2.393 19447
722 1 7 . 1 1 39 39 GLU H H 39 8.457 8.457 8.189 0.268 19447
723 1 7 . 1 1 40 40 GLY N N 40 110.793 110.793 111.859 -1.066 19447
724 1 7 . 1 1 40 40 GLY H H 40 8.765 8.765 8.677 0.088 19447
725 1 7 . 1 1 41 41 GLU N N 41 118.958 118.958 119.630 -0.672 19447
726 1 7 . 1 1 41 41 GLU H H 41 9.039 9.039 8.282 0.757 19447
727 1 7 . 1 1 42 42 LEU N N 42 127.681 127.681 125.505 2.176 19447
728 1 7 . 1 1 42 42 LEU H H 42 9.032 9.032 8.732 0.300 19447
729 1 7 . 1 1 43 43 ASN N N 43 126.687 126.687 125.530 1.157 19447
730 1 7 . 1 1 43 43 ASN H H 43 9.582 9.582 9.273 0.309 19447
731 1 7 . 1 1 44 44 GLY N N 44 104.039 104.039 104.007 0.032 19447
732 1 7 . 1 1 44 44 GLY H H 44 8.984 8.984 8.487 0.497 19447
733 1 7 . 1 1 45 45 ARG N N 45 120.104 120.104 122.349 -2.245 19447
734 1 7 . 1 1 45 45 ARG H H 45 7.714 7.714 7.773 -0.059 19447
735 1 7 . 1 1 46 46 ARG N N 46 121.840 121.840 127.274 -5.434 19447
736 1 7 . 1 1 46 46 ARG H H 46 8.565 8.565 8.711 -0.146 19447
737 1 7 . 1 1 47 47 GLY N N 47 109.692 109.692 111.290 -1.598 19447
738 1 7 . 1 1 47 47 GLY H H 47 8.662 8.662 8.887 -0.225 19447
739 1 7 . 1 1 48 48 MET N N 48 117.200 117.200 118.436 -1.236 19447
740 1 7 . 1 1 48 48 MET H H 48 8.861 8.861 8.662 0.199 19447
741 1 7 . 1 1 49 49 PHE N N 49 116.718 116.718 116.456 0.262 19447
742 1 7 . 1 1 49 49 PHE H H 49 8.829 8.829 8.186 0.643 19447
743 1 7 . 1 1 51 51 ASP N N 51 120.485 120.485 123.574 -3.089 19447
744 1 7 . 1 1 51 51 ASP H H 51 8.176 8.176 8.435 -0.259 19447
745 1 7 . 1 1 52 52 ASN N N 52 110.040 110.040 115.789 -5.749 19447
746 1 7 . 1 1 52 52 ASN H H 52 8.721 8.721 8.447 0.274 19447
747 1 7 . 1 1 53 53 PHE N N 53 117.961 117.961 113.539 4.422 19447
748 1 7 . 1 1 53 53 PHE H H 53 7.536 7.536 7.307 0.229 19447
749 1 7 . 1 1 54 54 VAL N N 54 109.981 109.981 114.498 -4.517 19447
750 1 7 . 1 1 54 54 VAL H H 54 7.464 7.464 7.630 -0.166 19447
751 1 7 . 1 1 55 55 LYS N N 55 120.357 120.357 123.775 -3.418 19447
752 1 7 . 1 1 55 55 LYS H H 55 9.156 9.156 8.739 0.417 19447
753 1 7 . 1 1 56 56 GLU N N 56 128.689 128.689 125.755 2.934 19447
754 1 7 . 1 1 56 56 GLU H H 56 8.677 8.677 8.574 0.103 19447
755 1 7 . 1 1 57 57 ILE N N 57 127.140 127.140 129.352 -2.212 19447
756 1 7 . 1 1 57 57 ILE H H 57 8.440 8.440 8.050 0.390 19447
757 1 8 . 1 1 3 3 ASP N N 3 128.606 128.606 121.072 7.534 19447
758 1 8 . 1 1 3 3 ASP H H 3 9.215 9.215 8.213 1.002 19447
759 1 8 . 1 1 4 4 TYR N N 4 120.150 120.150 119.036 1.114 19447
760 1 8 . 1 1 4 4 TYR H H 4 9.324 9.324 8.797 0.527 19447
761 1 8 . 1 1 5 5 ILE N N 5 119.250 119.250 121.263 -2.013 19447
762 1 8 . 1 1 5 5 ILE H H 5 9.418 9.418 9.075 0.343 19447
763 1 8 . 1 1 6 6 VAL N N 6 126.150 126.150 130.164 -4.014 19447
764 1 8 . 1 1 6 6 VAL H H 6 8.531 8.531 8.674 -0.143 19447
765 1 8 . 1 1 7 7 GLU N N 7 129.289 129.289 128.799 0.490 19447
766 1 8 . 1 1 7 7 GLU H H 7 9.240 9.240 8.721 0.519 19447
767 1 8 . 1 1 8 8 TYR N N 8 117.500 117.500 123.743 -6.243 19447
768 1 8 . 1 1 8 8 TYR H H 8 7.725 7.725 7.759 -0.034 19447
769 1 8 . 1 1 9 9 ASP N N 9 118.964 118.964 121.627 -2.663 19447
770 1 8 . 1 1 9 9 ASP H H 9 8.026 8.026 8.566 -0.540 19447
771 1 8 . 1 1 10 10 TYR N N 10 118.310 118.310 125.505 -7.195 19447
772 1 8 . 1 1 10 10 TYR H H 10 8.134 8.134 9.008 -0.874 19447
773 1 8 . 1 1 11 11 ASP N N 11 128.419 128.419 124.398 4.021 19447
774 1 8 . 1 1 11 11 ASP H H 11 7.807 7.807 8.281 -0.474 19447
775 1 8 . 1 1 12 12 ALA N N 12 123.084 123.084 126.503 -3.419 19447
776 1 8 . 1 1 12 12 ALA H H 12 7.785 7.785 7.979 -0.194 19447
777 1 8 . 1 1 13 13 VAL N N 13 118.591 118.591 118.660 -0.069 19447
778 1 8 . 1 1 13 13 VAL H H 13 8.517 8.517 8.179 0.338 19447
779 1 8 . 1 1 14 14 HIS N N 14 115.145 115.145 119.841 -4.696 19447
780 1 8 . 1 1 14 14 HIS H H 14 7.049 7.049 7.846 -0.797 19447
781 1 8 . 1 1 15 15 ASP N N 15 120.695 120.695 120.881 -0.186 19447
782 1 8 . 1 1 15 15 ASP H H 15 8.823 8.823 8.848 -0.025 19447
783 1 8 . 1 1 16 16 ASP N N 16 115.886 115.886 116.088 -0.202 19447
784 1 8 . 1 1 16 16 ASP H H 16 8.444 8.444 8.533 -0.089 19447
785 1 8 . 1 1 17 17 GLU N N 17 119.643 119.643 119.174 0.469 19447
786 1 8 . 1 1 17 17 GLU H H 17 7.762 7.762 7.558 0.204 19447
787 1 8 . 1 1 18 18 LEU N N 18 120.686 120.686 126.294 -5.608 19447
788 1 8 . 1 1 18 18 LEU H H 18 8.924 8.924 9.012 -0.088 19447
789 1 8 . 1 1 19 19 THR N N 19 117.228 117.228 121.251 -4.023 19447
790 1 8 . 1 1 19 19 THR H H 19 7.462 7.462 8.292 -0.830 19447
791 1 8 . 1 1 20 20 ILE N N 20 121.475 121.475 124.626 -3.151 19447
792 1 8 . 1 1 20 20 ILE H H 20 9.269 9.269 8.078 1.191 19447
793 1 8 . 1 1 21 21 ARG N N 21 124.941 124.941 125.989 -1.048 19447
794 1 8 . 1 1 21 21 ARG H H 21 8.809 8.809 8.664 0.145 19447
795 1 8 . 1 1 22 22 VAL N N 22 118.300 118.300 121.957 -3.657 19447
796 1 8 . 1 1 22 22 VAL H H 22 7.994 7.994 8.501 -0.507 19447
797 1 8 . 1 1 23 23 GLY N N 23 114.572 114.572 115.910 -1.338 19447
798 1 8 . 1 1 23 23 GLY H H 23 8.690 8.690 8.432 0.258 19447
799 1 8 . 1 1 24 24 GLU N N 24 120.005 120.005 123.235 -3.230 19447
800 1 8 . 1 1 24 24 GLU H H 24 8.076 8.076 8.229 -0.153 19447
801 1 8 . 1 1 25 25 ILE N N 25 119.376 119.376 122.411 -3.035 19447
802 1 8 . 1 1 25 25 ILE H H 25 7.972 7.972 8.524 -0.552 19447
803 1 8 . 1 1 26 26 ILE N N 26 128.357 128.357 126.782 1.575 19447
804 1 8 . 1 1 26 26 ILE H H 26 9.321 9.321 8.214 1.107 19447
805 1 8 . 1 1 27 27 ARG N N 27 123.620 123.620 126.887 -3.267 19447
806 1 8 . 1 1 27 27 ARG H H 27 8.655 8.655 8.909 -0.254 19447
807 1 8 . 1 1 28 28 ASN N N 28 117.452 117.452 116.064 1.388 19447
808 1 8 . 1 1 28 28 ASN H H 28 8.608 8.608 8.883 -0.275 19447
809 1 8 . 1 1 29 29 VAL N N 29 120.580 120.580 119.337 1.243 19447
810 1 8 . 1 1 29 29 VAL H H 29 8.661 8.661 8.302 0.359 19447
811 1 8 . 1 1 30 30 LYS N N 30 127.372 127.372 128.883 -1.511 19447
812 1 8 . 1 1 30 30 LYS H H 30 9.384 9.384 8.833 0.551 19447
813 1 8 . 1 1 31 31 LYS N N 31 121.810 121.810 124.777 -2.967 19447
814 1 8 . 1 1 31 31 LYS H H 31 8.493 8.493 8.492 0.001 19447
815 1 8 . 1 1 32 32 LEU N N 32 123.341 123.341 126.623 -3.282 19447
816 1 8 . 1 1 32 32 LEU H H 32 7.653 7.653 8.128 -0.475 19447
817 1 8 . 1 1 33 33 GLN N N 33 118.368 118.368 117.164 1.204 19447
818 1 8 . 1 1 33 33 GLN H H 33 8.435 8.435 8.370 0.065 19447
819 1 8 . 1 1 34 34 GLU N N 34 119.345 119.345 120.546 -1.201 19447
820 1 8 . 1 1 34 34 GLU H H 34 7.336 7.336 8.065 -0.729 19447
821 1 8 . 1 1 35 35 GLU N N 35 126.251 126.251 125.220 1.031 19447
822 1 8 . 1 1 35 35 GLU H H 35 8.352 8.352 8.821 -0.469 19447
823 1 8 . 1 1 36 36 GLY N N 36 111.344 111.344 114.004 -2.660 19447
824 1 8 . 1 1 36 36 GLY H H 36 8.510 8.510 8.916 -0.406 19447
825 1 8 . 1 1 37 37 TRP N N 37 119.200 119.200 121.819 -2.619 19447
826 1 8 . 1 1 37 37 TRP H H 37 7.727 7.727 7.612 0.115 19447
827 1 8 . 1 1 38 38 LEU N N 38 123.025 123.025 123.244 -0.219 19447
828 1 8 . 1 1 38 38 LEU H H 38 8.402 8.402 8.481 -0.079 19447
829 1 8 . 1 1 39 39 GLU N N 39 117.576 117.576 119.983 -2.407 19447
830 1 8 . 1 1 39 39 GLU H H 39 8.457 8.457 8.487 -0.030 19447
831 1 8 . 1 1 40 40 GLY N N 40 110.793 110.793 111.049 -0.256 19447
832 1 8 . 1 1 40 40 GLY H H 40 8.765 8.765 8.154 0.611 19447
833 1 8 . 1 1 41 41 GLU N N 41 118.958 118.958 120.080 -1.122 19447
834 1 8 . 1 1 41 41 GLU H H 41 9.039 9.039 8.617 0.422 19447
835 1 8 . 1 1 42 42 LEU N N 42 127.681 127.681 125.556 2.125 19447
836 1 8 . 1 1 42 42 LEU H H 42 9.032 9.032 8.842 0.190 19447
837 1 8 . 1 1 43 43 ASN N N 43 126.687 126.687 122.197 4.490 19447
838 1 8 . 1 1 43 43 ASN H H 43 9.582 9.582 9.283 0.299 19447
839 1 8 . 1 1 44 44 GLY N N 44 104.039 104.039 103.654 0.385 19447
840 1 8 . 1 1 44 44 GLY H H 44 8.984 8.984 8.504 0.480 19447
841 1 8 . 1 1 45 45 ARG N N 45 120.104 120.104 122.638 -2.534 19447
842 1 8 . 1 1 45 45 ARG H H 45 7.714 7.714 7.798 -0.084 19447
843 1 8 . 1 1 46 46 ARG N N 46 121.840 121.840 126.965 -5.125 19447
844 1 8 . 1 1 46 46 ARG H H 46 8.565 8.565 8.806 -0.241 19447
845 1 8 . 1 1 47 47 GLY N N 47 109.692 109.692 113.665 -3.973 19447
846 1 8 . 1 1 47 47 GLY H H 47 8.662 8.662 8.585 0.077 19447
847 1 8 . 1 1 48 48 MET N N 48 117.200 117.200 120.312 -3.112 19447
848 1 8 . 1 1 48 48 MET H H 48 8.861 8.861 8.244 0.617 19447
849 1 8 . 1 1 49 49 PHE N N 49 116.718 116.718 118.926 -2.208 19447
850 1 8 . 1 1 49 49 PHE H H 49 8.829 8.829 8.336 0.493 19447
851 1 8 . 1 1 51 51 ASP N N 51 120.485 120.485 124.497 -4.012 19447
852 1 8 . 1 1 51 51 ASP H H 51 8.176 8.176 8.473 -0.297 19447
853 1 8 . 1 1 52 52 ASN N N 52 110.040 110.040 117.425 -7.385 19447
854 1 8 . 1 1 52 52 ASN H H 52 8.721 8.721 8.737 -0.016 19447
855 1 8 . 1 1 53 53 PHE N N 53 117.961 117.961 115.682 2.279 19447
856 1 8 . 1 1 53 53 PHE H H 53 7.536 7.536 7.746 -0.210 19447
857 1 8 . 1 1 54 54 VAL N N 54 109.981 109.981 114.459 -4.478 19447
858 1 8 . 1 1 54 54 VAL H H 54 7.464 7.464 7.540 -0.076 19447
859 1 8 . 1 1 55 55 LYS N N 55 120.357 120.357 124.159 -3.802 19447
860 1 8 . 1 1 55 55 LYS H H 55 9.156 9.156 8.758 0.398 19447
861 1 8 . 1 1 56 56 GLU N N 56 128.689 128.689 123.070 5.619 19447
862 1 8 . 1 1 56 56 GLU H H 56 8.677 8.677 8.703 -0.026 19447
863 1 8 . 1 1 57 57 ILE N N 57 127.140 127.140 123.885 3.255 19447
864 1 8 . 1 1 57 57 ILE H H 57 8.440 8.440 7.269 1.171 19447
865 1 9 . 1 1 3 3 ASP N N 3 128.606 128.606 123.748 4.858 19447
866 1 9 . 1 1 3 3 ASP H H 3 9.215 9.215 8.208 1.007 19447
867 1 9 . 1 1 4 4 TYR N N 4 120.150 120.150 115.889 4.261 19447
868 1 9 . 1 1 4 4 TYR H H 4 9.324 9.324 8.549 0.775 19447
869 1 9 . 1 1 5 5 ILE N N 5 119.250 119.250 120.966 -1.716 19447
870 1 9 . 1 1 5 5 ILE H H 5 9.418 9.418 9.051 0.367 19447
871 1 9 . 1 1 6 6 VAL N N 6 126.150 126.150 130.403 -4.253 19447
872 1 9 . 1 1 6 6 VAL H H 6 8.531 8.531 8.444 0.087 19447
873 1 9 . 1 1 7 7 GLU N N 7 129.289 129.289 128.290 0.999 19447
874 1 9 . 1 1 7 7 GLU H H 7 9.240 9.240 8.839 0.401 19447
875 1 9 . 1 1 8 8 TYR N N 8 117.500 117.500 123.008 -5.508 19447
876 1 9 . 1 1 8 8 TYR H H 8 7.725 7.725 7.839 -0.114 19447
877 1 9 . 1 1 9 9 ASP N N 9 118.964 118.964 121.129 -2.165 19447
878 1 9 . 1 1 9 9 ASP H H 9 8.026 8.026 8.622 -0.596 19447
879 1 9 . 1 1 10 10 TYR N N 10 118.310 118.310 126.121 -7.811 19447
880 1 9 . 1 1 10 10 TYR H H 10 8.134 8.134 8.793 -0.659 19447
881 1 9 . 1 1 11 11 ASP N N 11 128.419 128.419 126.854 1.565 19447
882 1 9 . 1 1 11 11 ASP H H 11 7.807 7.807 8.052 -0.245 19447
883 1 9 . 1 1 12 12 ALA N N 12 123.084 123.084 125.961 -2.877 19447
884 1 9 . 1 1 12 12 ALA H H 12 7.785 7.785 8.297 -0.512 19447
885 1 9 . 1 1 13 13 VAL N N 13 118.591 118.591 122.580 -3.989 19447
886 1 9 . 1 1 13 13 VAL H H 13 8.517 8.517 8.486 0.031 19447
887 1 9 . 1 1 14 14 HIS N N 14 115.145 115.145 116.667 -1.522 19447
888 1 9 . 1 1 14 14 HIS H H 14 7.049 7.049 7.696 -0.647 19447
889 1 9 . 1 1 15 15 ASP N N 15 120.695 120.695 120.388 0.307 19447
890 1 9 . 1 1 15 15 ASP H H 15 8.823 8.823 8.834 -0.011 19447
891 1 9 . 1 1 16 16 ASP N N 16 115.886 115.886 115.346 0.540 19447
892 1 9 . 1 1 16 16 ASP H H 16 8.444 8.444 8.786 -0.342 19447
893 1 9 . 1 1 17 17 GLU N N 17 119.643 119.643 119.172 0.471 19447
894 1 9 . 1 1 17 17 GLU H H 17 7.762 7.762 7.570 0.192 19447
895 1 9 . 1 1 18 18 LEU N N 18 120.686 120.686 124.951 -4.265 19447
896 1 9 . 1 1 18 18 LEU H H 18 8.924 8.924 8.921 0.003 19447
897 1 9 . 1 1 19 19 THR N N 19 117.228 117.228 117.777 -0.549 19447
898 1 9 . 1 1 19 19 THR H H 19 7.462 7.462 8.344 -0.882 19447
899 1 9 . 1 1 20 20 ILE N N 20 121.475 121.475 124.438 -2.963 19447
900 1 9 . 1 1 20 20 ILE H H 20 9.269 9.269 8.057 1.212 19447
901 1 9 . 1 1 21 21 ARG N N 21 124.941 124.941 124.583 0.358 19447
902 1 9 . 1 1 21 21 ARG H H 21 8.809 8.809 8.688 0.121 19447
903 1 9 . 1 1 22 22 VAL N N 22 118.300 118.300 122.085 -3.785 19447
904 1 9 . 1 1 22 22 VAL H H 22 7.994 7.994 8.285 -0.291 19447
905 1 9 . 1 1 23 23 GLY N N 23 114.572 114.572 115.150 -0.578 19447
906 1 9 . 1 1 23 23 GLY H H 23 8.690 8.690 8.630 0.060 19447
907 1 9 . 1 1 24 24 GLU N N 24 120.005 120.005 123.024 -3.019 19447
908 1 9 . 1 1 24 24 GLU H H 24 8.076 8.076 8.171 -0.095 19447
909 1 9 . 1 1 25 25 ILE N N 25 119.376 119.376 120.542 -1.166 19447
910 1 9 . 1 1 25 25 ILE H H 25 7.972 7.972 8.199 -0.227 19447
911 1 9 . 1 1 26 26 ILE N N 26 128.357 128.357 126.358 1.999 19447
912 1 9 . 1 1 26 26 ILE H H 26 9.321 9.321 8.258 1.063 19447
913 1 9 . 1 1 27 27 ARG N N 27 123.620 123.620 128.857 -5.237 19447
914 1 9 . 1 1 27 27 ARG H H 27 8.655 8.655 8.842 -0.187 19447
915 1 9 . 1 1 28 28 ASN N N 28 117.452 117.452 116.932 0.520 19447
916 1 9 . 1 1 28 28 ASN H H 28 8.608 8.608 8.875 -0.267 19447
917 1 9 . 1 1 29 29 VAL N N 29 120.580 120.580 119.957 0.623 19447
918 1 9 . 1 1 29 29 VAL H H 29 8.661 8.661 8.199 0.462 19447
919 1 9 . 1 1 30 30 LYS N N 30 127.372 127.372 128.849 -1.477 19447
920 1 9 . 1 1 30 30 LYS H H 30 9.384 9.384 9.075 0.309 19447
921 1 9 . 1 1 31 31 LYS N N 31 121.810 121.810 124.849 -3.039 19447
922 1 9 . 1 1 31 31 LYS H H 31 8.493 8.493 8.657 -0.164 19447
923 1 9 . 1 1 32 32 LEU N N 32 123.341 123.341 125.663 -2.322 19447
924 1 9 . 1 1 32 32 LEU H H 32 7.653 7.653 8.135 -0.482 19447
925 1 9 . 1 1 33 33 GLN N N 33 118.368 118.368 117.948 0.420 19447
926 1 9 . 1 1 33 33 GLN H H 33 8.435 8.435 8.414 0.021 19447
927 1 9 . 1 1 34 34 GLU N N 34 119.345 119.345 118.705 0.640 19447
928 1 9 . 1 1 34 34 GLU H H 34 7.336 7.336 7.846 -0.510 19447
929 1 9 . 1 1 35 35 GLU N N 35 126.251 126.251 125.236 1.015 19447
930 1 9 . 1 1 35 35 GLU H H 35 8.352 8.352 8.984 -0.632 19447
931 1 9 . 1 1 36 36 GLY N N 36 111.344 111.344 112.681 -1.337 19447
932 1 9 . 1 1 36 36 GLY H H 36 8.510 8.510 8.694 -0.184 19447
933 1 9 . 1 1 37 37 TRP N N 37 119.200 119.200 120.154 -0.954 19447
934 1 9 . 1 1 37 37 TRP H H 37 7.727 7.727 7.796 -0.069 19447
935 1 9 . 1 1 38 38 LEU N N 38 123.025 123.025 122.566 0.459 19447
936 1 9 . 1 1 38 38 LEU H H 38 8.402 8.402 8.495 -0.093 19447
937 1 9 . 1 1 39 39 GLU N N 39 117.576 117.576 120.440 -2.864 19447
938 1 9 . 1 1 39 39 GLU H H 39 8.457 8.457 8.711 -0.254 19447
939 1 9 . 1 1 40 40 GLY N N 40 110.793 110.793 111.309 -0.516 19447
940 1 9 . 1 1 40 40 GLY H H 40 8.765 8.765 8.226 0.539 19447
941 1 9 . 1 1 41 41 GLU N N 41 118.958 118.958 120.598 -1.640 19447
942 1 9 . 1 1 41 41 GLU H H 41 9.039 9.039 8.585 0.454 19447
943 1 9 . 1 1 42 42 LEU N N 42 127.681 127.681 127.883 -0.202 19447
944 1 9 . 1 1 42 42 LEU H H 42 9.032 9.032 8.966 0.066 19447
945 1 9 . 1 1 43 43 ASN N N 43 126.687 126.687 125.173 1.514 19447
946 1 9 . 1 1 43 43 ASN H H 43 9.582 9.582 9.258 0.324 19447
947 1 9 . 1 1 44 44 GLY N N 44 104.039 104.039 103.925 0.114 19447
948 1 9 . 1 1 44 44 GLY H H 44 8.984 8.984 8.525 0.459 19447
949 1 9 . 1 1 45 45 ARG N N 45 120.104 120.104 120.316 -0.212 19447
950 1 9 . 1 1 45 45 ARG H H 45 7.714 7.714 7.762 -0.048 19447
951 1 9 . 1 1 46 46 ARG N N 46 121.840 121.840 126.793 -4.953 19447
952 1 9 . 1 1 46 46 ARG H H 46 8.565 8.565 8.679 -0.114 19447
953 1 9 . 1 1 47 47 GLY N N 47 109.692 109.692 111.732 -2.040 19447
954 1 9 . 1 1 47 47 GLY H H 47 8.662 8.662 8.772 -0.110 19447
955 1 9 . 1 1 48 48 MET N N 48 117.200 117.200 119.886 -2.686 19447
956 1 9 . 1 1 48 48 MET H H 48 8.861 8.861 8.728 0.133 19447
957 1 9 . 1 1 49 49 PHE N N 49 116.718 116.718 116.883 -0.165 19447
958 1 9 . 1 1 49 49 PHE H H 49 8.829 8.829 8.403 0.426 19447
959 1 9 . 1 1 51 51 ASP N N 51 120.485 120.485 124.201 -3.716 19447
960 1 9 . 1 1 51 51 ASP H H 51 8.176 8.176 8.103 0.073 19447
961 1 9 . 1 1 52 52 ASN N N 52 110.040 110.040 116.146 -6.106 19447
962 1 9 . 1 1 52 52 ASN H H 52 8.721 8.721 8.737 -0.016 19447
963 1 9 . 1 1 53 53 PHE N N 53 117.961 117.961 113.235 4.726 19447
964 1 9 . 1 1 53 53 PHE H H 53 7.536 7.536 7.630 -0.094 19447
965 1 9 . 1 1 54 54 VAL N N 54 109.981 109.981 115.550 -5.569 19447
966 1 9 . 1 1 54 54 VAL H H 54 7.464 7.464 7.444 0.020 19447
967 1 9 . 1 1 55 55 LYS N N 55 120.357 120.357 124.842 -4.485 19447
968 1 9 . 1 1 55 55 LYS H H 55 9.156 9.156 8.701 0.455 19447
969 1 9 . 1 1 56 56 GLU N N 56 128.689 128.689 124.413 4.276 19447
970 1 9 . 1 1 56 56 GLU H H 56 8.677 8.677 8.610 0.067 19447
971 1 9 . 1 1 57 57 ILE N N 57 127.140 127.140 123.297 3.843 19447
972 1 9 . 1 1 57 57 ILE H H 57 8.440 8.440 7.463 0.977 19447
973 1 10 . 1 1 3 3 ASP N N 3 128.606 128.606 120.858 7.748 19447
974 1 10 . 1 1 3 3 ASP H H 3 9.215 9.215 7.881 1.334 19447
975 1 10 . 1 1 4 4 TYR N N 4 120.150 120.150 119.493 0.657 19447
976 1 10 . 1 1 4 4 TYR H H 4 9.324 9.324 8.726 0.598 19447
977 1 10 . 1 1 5 5 ILE N N 5 119.250 119.250 121.441 -2.191 19447
978 1 10 . 1 1 5 5 ILE H H 5 9.418 9.418 9.009 0.409 19447
979 1 10 . 1 1 6 6 VAL N N 6 126.150 126.150 130.036 -3.886 19447
980 1 10 . 1 1 6 6 VAL H H 6 8.531 8.531 8.542 -0.011 19447
981 1 10 . 1 1 7 7 GLU N N 7 129.289 129.289 128.366 0.923 19447
982 1 10 . 1 1 7 7 GLU H H 7 9.240 9.240 8.597 0.643 19447
983 1 10 . 1 1 8 8 TYR N N 8 117.500 117.500 122.217 -4.717 19447
984 1 10 . 1 1 8 8 TYR H H 8 7.725 7.725 7.820 -0.095 19447
985 1 10 . 1 1 9 9 ASP N N 9 118.964 118.964 120.591 -1.627 19447
986 1 10 . 1 1 9 9 ASP H H 9 8.026 8.026 8.687 -0.661 19447
987 1 10 . 1 1 10 10 TYR N N 10 118.310 118.310 125.172 -6.862 19447
988 1 10 . 1 1 10 10 TYR H H 10 8.134 8.134 8.922 -0.788 19447
989 1 10 . 1 1 11 11 ASP N N 11 128.419 128.419 124.285 4.134 19447
990 1 10 . 1 1 11 11 ASP H H 11 7.807 7.807 7.935 -0.128 19447
991 1 10 . 1 1 12 12 ALA N N 12 123.084 123.084 125.818 -2.734 19447
992 1 10 . 1 1 12 12 ALA H H 12 7.785 7.785 7.898 -0.113 19447
993 1 10 . 1 1 13 13 VAL N N 13 118.591 118.591 116.826 1.765 19447
994 1 10 . 1 1 13 13 VAL H H 13 8.517 8.517 8.087 0.430 19447
995 1 10 . 1 1 14 14 HIS N N 14 115.145 115.145 118.532 -3.387 19447
996 1 10 . 1 1 14 14 HIS H H 14 7.049 7.049 7.470 -0.421 19447
997 1 10 . 1 1 15 15 ASP N N 15 120.695 120.695 120.253 0.442 19447
998 1 10 . 1 1 15 15 ASP H H 15 8.823 8.823 7.529 1.294 19447
999 1 10 . 1 1 16 16 ASP N N 16 115.886 115.886 118.226 -2.340 19447
1000 1 10 . 1 1 16 16 ASP H H 16 8.444 8.444 8.105 0.339 19447
1001 1 10 . 1 1 17 17 GLU N N 17 119.643 119.643 118.491 1.152 19447
1002 1 10 . 1 1 17 17 GLU H H 17 7.762 7.762 7.537 0.225 19447
1003 1 10 . 1 1 18 18 LEU N N 18 120.686 120.686 126.363 -5.677 19447
1004 1 10 . 1 1 18 18 LEU H H 18 8.924 8.924 9.223 -0.299 19447
1005 1 10 . 1 1 19 19 THR N N 19 117.228 117.228 121.621 -4.393 19447
1006 1 10 . 1 1 19 19 THR H H 19 7.462 7.462 8.460 -0.998 19447
1007 1 10 . 1 1 20 20 ILE N N 20 121.475 121.475 123.818 -2.343 19447
1008 1 10 . 1 1 20 20 ILE H H 20 9.269 9.269 8.191 1.078 19447
1009 1 10 . 1 1 21 21 ARG N N 21 124.941 124.941 124.746 0.195 19447
1010 1 10 . 1 1 21 21 ARG H H 21 8.809 8.809 8.821 -0.012 19447
1011 1 10 . 1 1 22 22 VAL N N 22 118.300 118.300 119.456 -1.156 19447
1012 1 10 . 1 1 22 22 VAL H H 22 7.994 7.994 8.280 -0.286 19447
1013 1 10 . 1 1 23 23 GLY N N 23 114.572 114.572 115.930 -1.358 19447
1014 1 10 . 1 1 23 23 GLY H H 23 8.690 8.690 8.543 0.147 19447
1015 1 10 . 1 1 24 24 GLU N N 24 120.005 120.005 123.469 -3.464 19447
1016 1 10 . 1 1 24 24 GLU H H 24 8.076 8.076 8.211 -0.135 19447
1017 1 10 . 1 1 25 25 ILE N N 25 119.376 119.376 121.450 -2.074 19447
1018 1 10 . 1 1 25 25 ILE H H 25 7.972 7.972 8.198 -0.226 19447
1019 1 10 . 1 1 26 26 ILE N N 26 128.357 128.357 125.534 2.823 19447
1020 1 10 . 1 1 26 26 ILE H H 26 9.321 9.321 8.176 1.145 19447
1021 1 10 . 1 1 27 27 ARG N N 27 123.620 123.620 128.698 -5.078 19447
1022 1 10 . 1 1 27 27 ARG H H 27 8.655 8.655 8.789 -0.134 19447
1023 1 10 . 1 1 28 28 ASN N N 28 117.452 117.452 118.756 -1.304 19447
1024 1 10 . 1 1 28 28 ASN H H 28 8.608 8.608 8.884 -0.276 19447
1025 1 10 . 1 1 29 29 VAL N N 29 120.580 120.580 119.581 0.999 19447
1026 1 10 . 1 1 29 29 VAL H H 29 8.661 8.661 8.437 0.224 19447
1027 1 10 . 1 1 30 30 LYS N N 30 127.372 127.372 128.825 -1.453 19447
1028 1 10 . 1 1 30 30 LYS H H 30 9.384 9.384 9.118 0.266 19447
1029 1 10 . 1 1 31 31 LYS N N 31 121.810 121.810 125.177 -3.367 19447
1030 1 10 . 1 1 31 31 LYS H H 31 8.493 8.493 8.650 -0.157 19447
1031 1 10 . 1 1 32 32 LEU N N 32 123.341 123.341 124.892 -1.551 19447
1032 1 10 . 1 1 32 32 LEU H H 32 7.653 7.653 7.884 -0.231 19447
1033 1 10 . 1 1 33 33 GLN N N 33 118.368 118.368 117.738 0.630 19447
1034 1 10 . 1 1 33 33 GLN H H 33 8.435 8.435 8.425 0.010 19447
1035 1 10 . 1 1 34 34 GLU N N 34 119.345 119.345 120.953 -1.608 19447
1036 1 10 . 1 1 34 34 GLU H H 34 7.336 7.336 8.068 -0.732 19447
1037 1 10 . 1 1 35 35 GLU N N 35 126.251 126.251 126.005 0.246 19447
1038 1 10 . 1 1 35 35 GLU H H 35 8.352 8.352 8.925 -0.573 19447
1039 1 10 . 1 1 36 36 GLY N N 36 111.344 111.344 114.581 -3.237 19447
1040 1 10 . 1 1 36 36 GLY H H 36 8.510 8.510 8.919 -0.409 19447
1041 1 10 . 1 1 37 37 TRP N N 37 119.200 119.200 122.163 -2.963 19447
1042 1 10 . 1 1 37 37 TRP H H 37 7.727 7.727 7.783 -0.056 19447
1043 1 10 . 1 1 38 38 LEU N N 38 123.025 123.025 125.086 -2.061 19447
1044 1 10 . 1 1 38 38 LEU H H 38 8.402 8.402 8.779 -0.377 19447
1045 1 10 . 1 1 39 39 GLU N N 39 117.576 117.576 118.969 -1.393 19447
1046 1 10 . 1 1 39 39 GLU H H 39 8.457 8.457 8.512 -0.055 19447
1047 1 10 . 1 1 40 40 GLY N N 40 110.793 110.793 108.446 2.347 19447
1048 1 10 . 1 1 40 40 GLY H H 40 8.765 8.765 8.167 0.598 19447
1049 1 10 . 1 1 41 41 GLU N N 41 118.958 118.958 121.071 -2.113 19447
1050 1 10 . 1 1 41 41 GLU H H 41 9.039 9.039 8.557 0.482 19447
1051 1 10 . 1 1 42 42 LEU N N 42 127.681 127.681 128.116 -0.435 19447
1052 1 10 . 1 1 42 42 LEU H H 42 9.032 9.032 8.829 0.203 19447
1053 1 10 . 1 1 43 43 ASN N N 43 126.687 126.687 124.080 2.607 19447
1054 1 10 . 1 1 43 43 ASN H H 43 9.582 9.582 9.325 0.257 19447
1055 1 10 . 1 1 44 44 GLY N N 44 104.039 104.039 102.282 1.757 19447
1056 1 10 . 1 1 44 44 GLY H H 44 8.984 8.984 8.531 0.453 19447
1057 1 10 . 1 1 45 45 ARG N N 45 120.104 120.104 122.580 -2.476 19447
1058 1 10 . 1 1 45 45 ARG H H 45 7.714 7.714 7.685 0.029 19447
1059 1 10 . 1 1 46 46 ARG N N 46 121.840 121.840 124.989 -3.149 19447
1060 1 10 . 1 1 46 46 ARG H H 46 8.565 8.565 8.822 -0.257 19447
1061 1 10 . 1 1 47 47 GLY N N 47 109.692 109.692 110.022 -0.330 19447
1062 1 10 . 1 1 47 47 GLY H H 47 8.662 8.662 8.785 -0.123 19447
1063 1 10 . 1 1 48 48 MET N N 48 117.200 117.200 119.473 -2.273 19447
1064 1 10 . 1 1 48 48 MET H H 48 8.861 8.861 8.605 0.256 19447
1065 1 10 . 1 1 49 49 PHE N N 49 116.718 116.718 116.646 0.072 19447
1066 1 10 . 1 1 49 49 PHE H H 49 8.829 8.829 8.632 0.197 19447
1067 1 10 . 1 1 51 51 ASP N N 51 120.485 120.485 124.523 -4.038 19447
1068 1 10 . 1 1 51 51 ASP H H 51 8.176 8.176 8.394 -0.218 19447
1069 1 10 . 1 1 52 52 ASN N N 52 110.040 110.040 117.520 -7.480 19447
1070 1 10 . 1 1 52 52 ASN H H 52 8.721 8.721 8.736 -0.015 19447
1071 1 10 . 1 1 53 53 PHE N N 53 117.961 117.961 115.320 2.641 19447
1072 1 10 . 1 1 53 53 PHE H H 53 7.536 7.536 7.696 -0.160 19447
1073 1 10 . 1 1 54 54 VAL N N 54 109.981 109.981 115.349 -5.368 19447
1074 1 10 . 1 1 54 54 VAL H H 54 7.464 7.464 7.583 -0.119 19447
1075 1 10 . 1 1 55 55 LYS N N 55 120.357 120.357 125.055 -4.698 19447
1076 1 10 . 1 1 55 55 LYS H H 55 9.156 9.156 8.668 0.488 19447
1077 1 10 . 1 1 56 56 GLU N N 56 128.689 128.689 124.483 4.206 19447
1078 1 10 . 1 1 56 56 GLU H H 56 8.677 8.677 8.637 0.040 19447
1079 1 10 . 1 1 57 57 ILE N N 57 127.140 127.140 124.954 2.186 19447
1080 1 10 . 1 1 57 57 ILE H H 57 8.440 8.440 7.679 0.761 19447
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 54 3.237 1.388 2.952 19447
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19447
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19447
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19447
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19447
6 1 1 "Average Difference" HN 54 0.460 -0.115 0.449 19447
7 1 2 "Average Difference" N 54 2.977 0.938 2.852 19447
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19447
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19447
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19447
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19447
12 1 2 "Average Difference" HN 54 0.448 -0.063 0.447 19447
13 1 3 "Average Difference" N 54 3.009 0.941 2.885 19447
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19447
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19447
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19447
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19447
18 1 3 "Average Difference" HN 54 0.455 -0.075 0.453 19447
19 1 4 "Average Difference" N 54 3.341 1.054 3.201 19447
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19447
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19447
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19447
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19447
24 1 4 "Average Difference" HN 54 0.468 -0.127 0.455 19447
25 1 5 "Average Difference" N 54 3.057 1.466 2.708 19447
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19447
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19447
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19447
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19447
30 1 5 "Average Difference" HN 54 0.520 -0.119 0.511 19447
31 1 6 "Average Difference" N 54 3.069 1.017 2.923 19447
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19447
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19447
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19447
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19447
36 1 6 "Average Difference" HN 54 0.501 -0.129 0.489 19447
37 1 7 "Average Difference" N 54 2.984 0.879 2.879 19447
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19447
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19447
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19447
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19447
42 1 7 "Average Difference" HN 54 0.403 -0.068 0.401 19447
43 1 8 "Average Difference" N 54 3.399 1.402 3.125 19447
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19447
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19447
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19447
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19447
48 1 8 "Average Difference" HN 54 0.487 -0.047 0.490 19447
49 1 9 "Average Difference" N 54 3.050 1.151 2.851 19447
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19447
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19447
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19447
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19447
54 1 9 "Average Difference" HN 54 0.448 -0.042 0.450 19447
55 1 10 "Average Difference" N 54 3.193 1.242 2.970 19447
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19447
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19447
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19447
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19447
60 1 10 "Average Difference" HN 54 0.495 -0.071 0.494 19447
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 19447
_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 3 3 ASP N N 3 128.606 128.606 121.614 6.992 19447
2 1 . 1 1 3 3 ASP H H 3 9.215 9.215 8.118 1.097 19447
3 1 . 1 1 4 4 TYR N N 4 120.150 120.150 119.879 0.271 19447
4 1 . 1 1 4 4 TYR H H 4 9.324 9.324 8.518 0.806 19447
5 1 . 1 1 5 5 ILE N N 5 119.250 119.250 120.693 -1.443 19447
6 1 . 1 1 5 5 ILE H H 5 9.418 9.418 8.995 0.423 19447
7 1 . 1 1 6 6 VAL N N 6 126.150 126.150 127.739 -1.589 19447
8 1 . 1 1 6 6 VAL H H 6 8.531 8.531 8.629 -0.098 19447
9 1 . 1 1 7 7 GLU N N 7 129.289 129.289 128.864 0.425 19447
10 1 . 1 1 7 7 GLU H H 7 9.240 9.240 8.673 0.567 19447
11 1 . 1 1 8 8 TYR N N 8 117.500 117.500 123.033 -5.533 19447
12 1 . 1 1 8 8 TYR H H 8 7.725 7.725 7.762 -0.037 19447
13 1 . 1 1 9 9 ASP N N 9 118.964 118.964 120.498 -1.534 19447
14 1 . 1 1 9 9 ASP H H 9 8.026 8.026 8.335 -0.309 19447
15 1 . 1 1 10 10 TYR N N 10 118.310 118.310 124.351 -6.041 19447
16 1 . 1 1 10 10 TYR H H 10 8.134 8.134 8.350 -0.216 19447
17 1 . 1 1 11 11 ASP N N 11 128.419 128.419 124.570 3.849 19447
18 1 . 1 1 11 11 ASP H H 11 7.807 7.807 7.991 -0.184 19447
19 1 . 1 1 12 12 ALA N N 12 123.084 123.084 125.810 -2.726 19447
20 1 . 1 1 12 12 ALA H H 12 7.785 7.785 8.198 -0.413 19447
21 1 . 1 1 13 13 VAL N N 13 118.591 118.591 119.889 -1.298 19447
22 1 . 1 1 13 13 VAL H H 13 8.517 8.517 8.288 0.229 19447
23 1 . 1 1 14 14 HIS N N 14 115.145 115.145 117.773 -2.628 19447
24 1 . 1 1 14 14 HIS H H 14 7.049 7.049 7.630 -0.581 19447
25 1 . 1 1 15 15 ASP N N 15 120.695 120.695 120.865 -0.170 19447
26 1 . 1 1 15 15 ASP H H 15 8.823 8.823 8.458 0.365 19447
27 1 . 1 1 16 16 ASP N N 16 115.886 115.886 116.525 -0.639 19447
28 1 . 1 1 16 16 ASP H H 16 8.444 8.444 8.430 0.014 19447
29 1 . 1 1 17 17 GLU N N 17 119.643 119.643 119.101 0.542 19447
30 1 . 1 1 17 17 GLU H H 17 7.762 7.762 7.444 0.318 19447
31 1 . 1 1 18 18 LEU N N 18 120.686 120.686 125.162 -4.476 19447
32 1 . 1 1 18 18 LEU H H 18 8.924 8.924 8.946 -0.022 19447
33 1 . 1 1 19 19 THR N N 19 117.228 117.228 119.598 -2.370 19447
34 1 . 1 1 19 19 THR H H 19 7.462 7.462 8.388 -0.926 19447
35 1 . 1 1 20 20 ILE N N 20 121.475 121.475 123.449 -1.974 19447
36 1 . 1 1 20 20 ILE H H 20 9.269 9.269 8.160 1.109 19447
37 1 . 1 1 21 21 ARG N N 21 124.941 124.941 124.943 -0.002 19447
38 1 . 1 1 21 21 ARG H H 21 8.809 8.809 8.593 0.215 19447
39 1 . 1 1 22 22 VAL N N 22 118.300 118.300 120.720 -2.420 19447
40 1 . 1 1 22 22 VAL H H 22 7.994 7.994 8.301 -0.307 19447
41 1 . 1 1 23 23 GLY N N 23 114.572 114.572 115.374 -0.802 19447
42 1 . 1 1 23 23 GLY H H 23 8.690 8.690 8.548 0.142 19447
43 1 . 1 1 24 24 GLU N N 24 120.005 120.005 122.651 -2.646 19447
44 1 . 1 1 24 24 GLU H H 24 8.076 8.076 8.187 -0.111 19447
45 1 . 1 1 25 25 ILE N N 25 119.376 119.376 121.817 -2.441 19447
46 1 . 1 1 25 25 ILE H H 25 7.972 7.972 8.254 -0.282 19447
47 1 . 1 1 26 26 ILE N N 26 128.357 128.357 126.655 1.702 19447
48 1 . 1 1 26 26 ILE H H 26 9.321 9.321 8.471 0.850 19447
49 1 . 1 1 27 27 ARG N N 27 123.620 123.620 127.679 -4.059 19447
50 1 . 1 1 27 27 ARG H H 27 8.655 8.655 8.803 -0.148 19447
51 1 . 1 1 28 28 ASN N N 28 117.452 117.452 117.782 -0.330 19447
52 1 . 1 1 28 28 ASN H H 28 8.608 8.608 8.821 -0.213 19447
53 1 . 1 1 29 29 VAL N N 29 120.580 120.580 118.867 1.713 19447
54 1 . 1 1 29 29 VAL H H 29 8.661 8.661 8.122 0.539 19447
55 1 . 1 1 30 30 LYS N N 30 127.372 127.372 127.805 -0.433 19447
56 1 . 1 1 30 30 LYS H H 30 9.384 9.384 8.934 0.450 19447
57 1 . 1 1 31 31 LYS N N 31 121.810 121.810 125.132 -3.322 19447
58 1 . 1 1 31 31 LYS H H 31 8.493 8.493 8.622 -0.129 19447
59 1 . 1 1 32 32 LEU N N 32 123.341 123.341 126.261 -2.920 19447
60 1 . 1 1 32 32 LEU H H 32 7.653 7.653 7.991 -0.338 19447
61 1 . 1 1 33 33 GLN N N 33 118.368 118.368 117.889 0.479 19447
62 1 . 1 1 33 33 GLN H H 33 8.435 8.435 8.450 -0.015 19447
63 1 . 1 1 34 34 GLU N N 34 119.345 119.345 119.534 -0.189 19447
64 1 . 1 1 34 34 GLU H H 34 7.336 7.336 7.983 -0.647 19447
65 1 . 1 1 35 35 GLU N N 35 126.251 126.251 125.751 0.500 19447
66 1 . 1 1 35 35 GLU H H 35 8.352 8.352 8.895 -0.543 19447
67 1 . 1 1 36 36 GLY N N 36 111.344 111.344 112.959 -1.615 19447
68 1 . 1 1 36 36 GLY H H 36 8.510 8.510 8.749 -0.239 19447
69 1 . 1 1 37 37 TRP N N 37 119.200 119.200 121.452 -2.252 19447
70 1 . 1 1 37 37 TRP H H 37 7.727 7.727 7.755 -0.028 19447
71 1 . 1 1 38 38 LEU N N 38 123.025 123.025 122.808 0.217 19447
72 1 . 1 1 38 38 LEU H H 38 8.402 8.402 8.537 -0.135 19447
73 1 . 1 1 39 39 GLU N N 39 117.576 117.576 120.206 -2.630 19447
74 1 . 1 1 39 39 GLU H H 39 8.457 8.457 8.499 -0.042 19447
75 1 . 1 1 40 40 GLY N N 40 110.793 110.793 111.279 -0.486 19447
76 1 . 1 1 40 40 GLY H H 40 8.765 8.765 8.367 0.398 19447
77 1 . 1 1 41 41 GLU N N 41 118.958 118.958 120.346 -1.389 19447
78 1 . 1 1 41 41 GLU H H 41 9.039 9.039 8.519 0.520 19447
79 1 . 1 1 42 42 LEU N N 42 127.681 127.681 126.565 1.116 19447
80 1 . 1 1 42 42 LEU H H 42 9.032 9.032 8.813 0.219 19447
81 1 . 1 1 43 43 ASN N N 43 126.687 126.687 124.122 2.564 19447
82 1 . 1 1 43 43 ASN H H 43 9.582 9.582 9.292 0.290 19447
83 1 . 1 1 44 44 GLY N N 44 104.039 104.039 103.459 0.580 19447
84 1 . 1 1 44 44 GLY H H 44 8.984 8.984 8.518 0.466 19447
85 1 . 1 1 45 45 ARG N N 45 120.104 120.104 121.030 -0.926 19447
86 1 . 1 1 45 45 ARG H H 45 7.714 7.714 7.720 -0.006 19447
87 1 . 1 1 46 46 ARG N N 46 121.840 121.840 126.582 -4.742 19447
88 1 . 1 1 46 46 ARG H H 46 8.565 8.565 8.755 -0.190 19447
89 1 . 1 1 47 47 GLY N N 47 109.692 109.692 111.303 -1.611 19447
90 1 . 1 1 47 47 GLY H H 47 8.662 8.662 8.775 -0.113 19447
91 1 . 1 1 48 48 MET N N 48 117.200 117.200 119.374 -2.173 19447
92 1 . 1 1 48 48 MET H H 48 8.861 8.861 8.682 0.179 19447
93 1 . 1 1 49 49 PHE N N 49 116.718 116.718 116.673 0.045 19447
94 1 . 1 1 49 49 PHE H H 49 8.829 8.829 8.513 0.316 19447
95 1 . 1 1 51 51 ASP N N 51 120.485 120.485 123.781 -3.296 19447
96 1 . 1 1 51 51 ASP H H 51 8.176 8.176 8.258 -0.082 19447
97 1 . 1 1 52 52 ASN N N 52 110.040 110.040 116.238 -6.198 19447
98 1 . 1 1 52 52 ASN H H 52 8.721 8.721 8.479 0.242 19447
99 1 . 1 1 53 53 PHE N N 53 117.961 117.961 114.850 3.111 19447
100 1 . 1 1 53 53 PHE H H 53 7.536 7.536 7.447 0.090 19447
101 1 . 1 1 54 54 VAL N N 54 109.981 109.981 116.543 -6.562 19447
102 1 . 1 1 54 54 VAL H H 54 7.464 7.464 7.519 -0.054 19447
103 1 . 1 1 55 55 LYS N N 55 120.357 120.357 125.252 -4.895 19447
104 1 . 1 1 55 55 LYS H H 55 9.156 9.156 8.783 0.373 19447
105 1 . 1 1 56 56 GLU N N 56 128.689 128.689 125.112 3.577 19447
106 1 . 1 1 56 56 GLU H H 56 8.677 8.677 8.605 0.072 19447
107 1 . 1 1 57 57 ILE N N 57 127.140 127.140 126.045 1.095 19447
108 1 . 1 1 57 57 ILE H H 57 8.440 8.440 7.698 0.743 19447
stop_
save_