data_17889
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17889
_Entry.PDB_ID 2LID
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 17889
_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 HIS N N 2 121.309 121.309 120.170 1.139 17889
2 1 1 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.689 -0.036 17889
3 1 1 . 1 1 2 2 HIS H H 2 8.959 8.959 8.039 0.920 17889
4 1 1 . 1 1 3 3 LYS N N 3 123.963 123.963 121.463 2.500 17889
5 1 1 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.201 -0.006 17889
6 1 1 . 1 1 3 3 LYS H H 3 8.533 8.533 8.563 -0.030 17889
7 1 1 . 1 1 4 4 HIS N N 4 120.657 120.657 120.000 0.657 17889
8 1 1 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.372 0.234 17889
9 1 1 . 1 1 4 4 HIS H H 4 8.690 8.690 8.550 0.140 17889
10 1 1 . 1 1 5 5 SER N N 5 117.522 117.522 116.380 1.142 17889
11 1 1 . 1 1 5 5 SER HA H 5 4.347 4.347 4.047 0.300 17889
12 1 1 . 1 1 5 5 SER H H 5 8.375 8.375 7.780 0.595 17889
13 1 1 . 1 1 6 6 ASP N N 6 122.035 122.035 117.152 4.883 17889
14 1 1 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.586 -0.017 17889
15 1 1 . 1 1 6 6 ASP H H 6 8.405 8.405 7.480 0.925 17889
16 1 1 . 1 1 7 7 GLU N N 7 120.246 120.246 122.895 -2.649 17889
17 1 1 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.272 0.001 17889
18 1 1 . 1 1 7 7 GLU H H 7 8.237 8.237 8.858 -0.621 17889
19 1 1 . 1 1 8 8 SER N N 8 117.720 117.720 115.977 1.743 17889
20 1 1 . 1 1 8 8 SER HA H 8 4.398 4.398 4.606 -0.208 17889
21 1 1 . 1 1 8 8 SER H H 8 8.193 8.193 8.381 -0.188 17889
22 1 1 . 1 1 9 9 THR N N 9 115.050 115.050 113.393 1.657 17889
23 1 1 . 1 1 9 9 THR HA H 9 4.226 4.226 4.046 0.180 17889
24 1 1 . 1 1 9 9 THR H H 9 8.051 8.051 8.309 -0.258 17889
25 1 1 . 1 1 10 10 SER N N 10 116.587 116.587 111.786 4.801 17889
26 1 1 . 1 1 10 10 SER HA H 10 4.341 4.341 4.383 -0.042 17889
27 1 1 . 1 1 10 10 SER H H 10 8.276 8.276 7.736 0.540 17889
28 1 1 . 1 1 14 14 GLU N N 14 121.529 121.529 121.809 -0.280 17889
29 1 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.224 -0.034 17889
30 1 1 . 1 1 14 14 GLU H H 14 8.117 8.117 8.145 -0.028 17889
31 1 1 . 1 1 15 15 SER N N 15 116.705 116.705 117.652 -0.947 17889
32 1 1 . 1 1 15 15 SER HA H 15 4.331 4.331 4.378 -0.047 17889
33 1 1 . 1 1 15 15 SER H H 15 8.114 8.114 8.329 -0.215 17889
34 1 1 . 1 1 16 16 ILE N N 16 122.303 122.303 123.070 -0.767 17889
35 1 1 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.208 -0.147 17889
36 1 1 . 1 1 16 16 ILE H H 16 7.981 7.981 8.654 -0.673 17889
37 1 1 . 1 1 17 17 ALA N N 17 127.099 127.099 123.288 3.811 17889
38 1 1 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.582 -0.399 17889
39 1 1 . 1 1 17 17 ALA H H 17 8.161 8.161 7.458 0.703 17889
40 1 1 . 1 1 18 18 ASP N N 18 118.740 118.740 119.007 -0.267 17889
41 1 1 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.924 -0.409 17889
42 1 1 . 1 1 18 18 ASP H H 18 8.134 8.134 8.441 -0.307 17889
43 1 1 . 1 1 19 19 ASN N N 19 118.913 118.913 113.739 5.174 17889
44 1 1 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.763 -0.198 17889
45 1 1 . 1 1 19 19 ASN H H 19 8.189 8.189 8.225 -0.036 17889
46 1 1 . 1 1 20 20 ASN N N 20 118.703 118.703 117.660 1.043 17889
47 1 1 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.880 -0.287 17889
48 1 1 . 1 1 20 20 ASN H H 20 8.290 8.290 8.426 -0.136 17889
49 1 1 . 1 1 21 21 ASP N N 21 119.859 119.859 118.902 0.957 17889
50 1 1 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.800 -0.252 17889
51 1 1 . 1 1 21 21 ASP H H 21 8.206 8.206 8.773 -0.567 17889
52 1 1 . 1 1 22 22 ASP N N 22 120.431 120.431 117.178 3.253 17889
53 1 1 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.615 -0.065 17889
54 1 1 . 1 1 22 22 ASP H H 22 8.294 8.294 8.632 -0.338 17889
55 1 1 . 1 1 23 23 SER N N 23 115.864 115.864 113.218 2.646 17889
56 1 1 . 1 1 23 23 SER HA H 23 4.213 4.213 4.527 -0.314 17889
57 1 1 . 1 1 23 23 SER H H 23 8.186 8.186 7.568 0.618 17889
58 1 1 . 1 1 24 24 TYR N N 24 121.678 121.678 121.184 0.494 17889
59 1 1 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.542 -0.272 17889
60 1 1 . 1 1 24 24 TYR H H 24 7.955 7.955 8.374 -0.419 17889
61 1 1 . 1 1 25 25 PHE N N 25 119.567 119.567 118.043 1.524 17889
62 1 1 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.228 0.138 17889
63 1 1 . 1 1 25 25 PHE H H 25 7.776 7.776 6.890 0.886 17889
64 1 1 . 1 1 26 26 GLN N N 26 120.553 120.553 119.972 0.581 17889
65 1 1 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.203 0.929 17889
66 1 1 . 1 1 26 26 GLN H H 26 7.928 7.928 7.537 0.391 17889
67 1 1 . 1 1 27 27 ARG N N 27 121.580 121.580 117.062 4.518 17889
68 1 1 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.000 0.183 17889
69 1 1 . 1 1 27 27 ARG H H 27 8.027 8.027 8.322 -0.295 17889
70 1 1 . 1 1 28 28 LYS N N 28 123.672 123.672 115.662 8.010 17889
71 1 1 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.070 0.401 17889
72 1 1 . 1 1 28 28 LYS H H 28 8.158 8.158 8.143 0.015 17889
73 1 1 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.344 -0.046 17889
74 1 1 . 1 1 30 30 LYS N N 30 121.864 121.864 118.723 3.141 17889
75 1 1 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.446 -0.251 17889
76 1 1 . 1 1 30 30 LYS H H 30 8.307 8.307 7.812 0.495 17889
77 1 1 . 1 1 31 31 LEU N N 31 124.171 124.171 118.972 5.199 17889
78 1 1 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.558 -0.188 17889
79 1 1 . 1 1 31 31 LEU H H 31 8.276 8.276 8.088 0.188 17889
80 1 1 . 1 1 32 32 THR N N 32 119.714 119.714 111.573 8.141 17889
81 1 1 . 1 1 32 32 THR HA H 32 4.378 4.378 4.422 -0.044 17889
82 1 1 . 1 1 32 32 THR H H 32 7.952 7.952 8.071 -0.119 17889
83 1 1 . 1 1 33 33 GLU N N 33 121.732 121.732 128.820 -7.088 17889
84 1 1 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.319 -0.149 17889
85 1 1 . 1 1 33 33 GLU H H 33 7.865 7.865 8.895 -1.030 17889
86 1 1 . 1 1 34 34 ALA N N 34 127.078 127.078 124.323 2.755 17889
87 1 1 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.226 0.274 17889
88 1 1 . 1 1 34 34 ALA H H 34 8.215 8.215 8.164 0.051 17889
89 1 2 . 1 1 2 2 HIS N N 2 121.309 121.309 122.402 -1.093 17889
90 1 2 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.551 0.102 17889
91 1 2 . 1 1 2 2 HIS H H 2 8.959 8.959 8.282 0.677 17889
92 1 2 . 1 1 3 3 LYS N N 3 123.963 123.963 124.230 -0.267 17889
93 1 2 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.160 0.035 17889
94 1 2 . 1 1 3 3 LYS H H 3 8.533 8.533 8.749 -0.216 17889
95 1 2 . 1 1 4 4 HIS N N 4 120.657 120.657 115.430 5.227 17889
96 1 2 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.232 0.374 17889
97 1 2 . 1 1 4 4 HIS H H 4 8.690 8.690 8.171 0.519 17889
98 1 2 . 1 1 5 5 SER N N 5 117.522 117.522 115.658 1.864 17889
99 1 2 . 1 1 5 5 SER HA H 5 4.347 4.347 4.118 0.229 17889
100 1 2 . 1 1 5 5 SER H H 5 8.375 8.375 8.732 -0.357 17889
101 1 2 . 1 1 6 6 ASP N N 6 122.035 122.035 122.680 -0.645 17889
102 1 2 . 1 1 6 6 ASP HA H 6 4.569 4.569 5.098 -0.529 17889
103 1 2 . 1 1 6 6 ASP H H 6 8.405 8.405 8.006 0.399 17889
104 1 2 . 1 1 7 7 GLU N N 7 120.246 120.246 123.476 -3.230 17889
105 1 2 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.520 -0.247 17889
106 1 2 . 1 1 7 7 GLU H H 7 8.237 8.237 8.373 -0.136 17889
107 1 2 . 1 1 8 8 SER N N 8 117.720 117.720 116.863 0.857 17889
108 1 2 . 1 1 8 8 SER HA H 8 4.398 4.398 4.219 0.179 17889
109 1 2 . 1 1 8 8 SER H H 8 8.193 8.193 8.793 -0.600 17889
110 1 2 . 1 1 9 9 THR N N 9 115.050 115.050 114.237 0.813 17889
111 1 2 . 1 1 9 9 THR HA H 9 4.226 4.226 4.096 0.130 17889
112 1 2 . 1 1 9 9 THR H H 9 8.051 8.051 8.141 -0.090 17889
113 1 2 . 1 1 10 10 SER N N 10 116.587 116.587 111.856 4.731 17889
114 1 2 . 1 1 10 10 SER HA H 10 4.341 4.341 4.711 -0.370 17889
115 1 2 . 1 1 10 10 SER H H 10 8.276 8.276 7.802 0.474 17889
116 1 2 . 1 1 14 14 GLU N N 14 121.529 121.529 120.583 0.946 17889
117 1 2 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.057 0.133 17889
118 1 2 . 1 1 14 14 GLU H H 14 8.117 8.117 8.662 -0.545 17889
119 1 2 . 1 1 15 15 SER N N 15 116.705 116.705 112.250 4.455 17889
120 1 2 . 1 1 15 15 SER HA H 15 4.331 4.331 4.415 -0.084 17889
121 1 2 . 1 1 15 15 SER H H 15 8.114 8.114 7.368 0.746 17889
122 1 2 . 1 1 16 16 ILE N N 16 122.303 122.303 122.498 -0.195 17889
123 1 2 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.819 0.242 17889
124 1 2 . 1 1 16 16 ILE H H 16 7.981 7.981 8.412 -0.431 17889
125 1 2 . 1 1 17 17 ALA N N 17 127.099 127.099 120.954 6.145 17889
126 1 2 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.003 0.180 17889
127 1 2 . 1 1 17 17 ALA H H 17 8.161 8.161 7.279 0.882 17889
128 1 2 . 1 1 18 18 ASP N N 18 118.740 118.740 116.863 1.877 17889
129 1 2 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.243 0.272 17889
130 1 2 . 1 1 18 18 ASP H H 18 8.134 8.134 8.983 -0.849 17889
131 1 2 . 1 1 19 19 ASN N N 19 118.913 118.913 111.916 6.997 17889
132 1 2 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.723 -0.158 17889
133 1 2 . 1 1 19 19 ASN H H 19 8.189 8.189 8.103 0.086 17889
134 1 2 . 1 1 20 20 ASN N N 20 118.703 118.703 116.770 1.933 17889
135 1 2 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.830 -0.237 17889
136 1 2 . 1 1 20 20 ASN H H 20 8.290 8.290 8.181 0.109 17889
137 1 2 . 1 1 21 21 ASP N N 21 119.859 119.859 120.797 -0.938 17889
138 1 2 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.697 -0.149 17889
139 1 2 . 1 1 21 21 ASP H H 21 8.206 8.206 8.809 -0.603 17889
140 1 2 . 1 1 22 22 ASP N N 22 120.431 120.431 115.643 4.788 17889
141 1 2 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.576 -0.026 17889
142 1 2 . 1 1 22 22 ASP H H 22 8.294 8.294 8.753 -0.459 17889
143 1 2 . 1 1 23 23 SER N N 23 115.864 115.864 114.931 0.933 17889
144 1 2 . 1 1 23 23 SER HA H 23 4.213 4.213 4.614 -0.401 17889
145 1 2 . 1 1 23 23 SER H H 23 8.186 8.186 8.131 0.055 17889
146 1 2 . 1 1 24 24 TYR N N 24 121.678 121.678 120.029 1.649 17889
147 1 2 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.836 -0.566 17889
148 1 2 . 1 1 24 24 TYR H H 24 7.955 7.955 8.130 -0.175 17889
149 1 2 . 1 1 25 25 PHE N N 25 119.567 119.567 120.285 -0.718 17889
150 1 2 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.095 0.271 17889
151 1 2 . 1 1 25 25 PHE H H 25 7.776 7.776 7.759 0.017 17889
152 1 2 . 1 1 26 26 GLN N N 26 120.553 120.553 115.432 5.121 17889
153 1 2 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.258 -0.126 17889
154 1 2 . 1 1 26 26 GLN H H 26 7.928 7.928 8.192 -0.264 17889
155 1 2 . 1 1 27 27 ARG N N 27 121.580 121.580 115.159 6.421 17889
156 1 2 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.164 0.019 17889
157 1 2 . 1 1 27 27 ARG H H 27 8.027 8.027 8.206 -0.179 17889
158 1 2 . 1 1 28 28 LYS N N 28 123.672 123.672 115.834 7.838 17889
159 1 2 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.058 0.413 17889
160 1 2 . 1 1 28 28 LYS H H 28 8.158 8.158 8.094 0.064 17889
161 1 2 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.269 0.029 17889
162 1 2 . 1 1 30 30 LYS N N 30 121.864 121.864 119.496 2.368 17889
163 1 2 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.290 -0.095 17889
164 1 2 . 1 1 30 30 LYS H H 30 8.307 8.307 7.827 0.480 17889
165 1 2 . 1 1 31 31 LEU N N 31 124.171 124.171 120.181 3.990 17889
166 1 2 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.450 -0.080 17889
167 1 2 . 1 1 31 31 LEU H H 31 8.276 8.276 8.365 -0.089 17889
168 1 2 . 1 1 32 32 THR N N 32 119.714 119.714 113.318 6.396 17889
169 1 2 . 1 1 32 32 THR HA H 32 4.378 4.378 4.217 0.161 17889
170 1 2 . 1 1 32 32 THR H H 32 7.952 7.952 8.041 -0.089 17889
171 1 2 . 1 1 33 33 GLU N N 33 121.732 121.732 121.802 -0.070 17889
172 1 2 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.113 0.057 17889
173 1 2 . 1 1 33 33 GLU H H 33 7.865 7.865 8.653 -0.788 17889
174 1 2 . 1 1 34 34 ALA N N 34 127.078 127.078 127.310 -0.232 17889
175 1 2 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.563 -0.063 17889
176 1 2 . 1 1 34 34 ALA H H 34 8.215 8.215 8.278 -0.063 17889
177 1 3 . 1 1 2 2 HIS N N 2 121.309 121.309 119.918 1.391 17889
178 1 3 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.794 -0.141 17889
179 1 3 . 1 1 2 2 HIS H H 2 8.959 8.959 8.198 0.761 17889
180 1 3 . 1 1 3 3 LYS N N 3 123.963 123.963 121.804 2.159 17889
181 1 3 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.521 -0.326 17889
182 1 3 . 1 1 3 3 LYS H H 3 8.533 8.533 8.542 -0.009 17889
183 1 3 . 1 1 4 4 HIS N N 4 120.657 120.657 118.252 2.405 17889
184 1 3 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.718 -0.112 17889
185 1 3 . 1 1 4 4 HIS H H 4 8.690 8.690 8.738 -0.048 17889
186 1 3 . 1 1 5 5 SER N N 5 117.522 117.522 114.253 3.269 17889
187 1 3 . 1 1 5 5 SER HA H 5 4.347 4.347 4.403 -0.056 17889
188 1 3 . 1 1 5 5 SER H H 5 8.375 8.375 8.117 0.258 17889
189 1 3 . 1 1 6 6 ASP N N 6 122.035 122.035 122.209 -0.174 17889
190 1 3 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.476 0.093 17889
191 1 3 . 1 1 6 6 ASP H H 6 8.405 8.405 8.571 -0.166 17889
192 1 3 . 1 1 7 7 GLU N N 7 120.246 120.246 123.541 -3.295 17889
193 1 3 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.441 -0.168 17889
194 1 3 . 1 1 7 7 GLU H H 7 8.237 8.237 8.740 -0.503 17889
195 1 3 . 1 1 8 8 SER N N 8 117.720 117.720 115.348 2.372 17889
196 1 3 . 1 1 8 8 SER HA H 8 4.398 4.398 4.649 -0.251 17889
197 1 3 . 1 1 8 8 SER H H 8 8.193 8.193 8.592 -0.399 17889
198 1 3 . 1 1 9 9 THR N N 9 115.050 115.050 113.760 1.290 17889
199 1 3 . 1 1 9 9 THR HA H 9 4.226 4.226 4.095 0.131 17889
200 1 3 . 1 1 9 9 THR H H 9 8.051 8.051 8.179 -0.128 17889
201 1 3 . 1 1 10 10 SER N N 10 116.587 116.587 111.667 4.920 17889
202 1 3 . 1 1 10 10 SER HA H 10 4.341 4.341 4.462 -0.121 17889
203 1 3 . 1 1 10 10 SER H H 10 8.276 8.276 7.647 0.629 17889
204 1 3 . 1 1 14 14 GLU N N 14 121.529 121.529 121.221 0.308 17889
205 1 3 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.371 -0.181 17889
206 1 3 . 1 1 14 14 GLU H H 14 8.117 8.117 8.983 -0.866 17889
207 1 3 . 1 1 15 15 SER N N 15 116.705 116.705 114.384 2.321 17889
208 1 3 . 1 1 15 15 SER HA H 15 4.331 4.331 4.574 -0.243 17889
209 1 3 . 1 1 15 15 SER H H 15 8.114 8.114 8.113 0.001 17889
210 1 3 . 1 1 16 16 ILE N N 16 122.303 122.303 123.475 -1.172 17889
211 1 3 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.891 0.170 17889
212 1 3 . 1 1 16 16 ILE H H 16 7.981 7.981 8.557 -0.576 17889
213 1 3 . 1 1 17 17 ALA N N 17 127.099 127.099 122.052 5.047 17889
214 1 3 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.184 -0.001 17889
215 1 3 . 1 1 17 17 ALA H H 17 8.161 8.161 7.762 0.399 17889
216 1 3 . 1 1 18 18 ASP N N 18 118.740 118.740 117.469 1.271 17889
217 1 3 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.368 0.147 17889
218 1 3 . 1 1 18 18 ASP H H 18 8.134 8.134 8.934 -0.800 17889
219 1 3 . 1 1 19 19 ASN N N 19 118.913 118.913 111.932 6.981 17889
220 1 3 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.724 -0.159 17889
221 1 3 . 1 1 19 19 ASN H H 19 8.189 8.189 8.197 -0.008 17889
222 1 3 . 1 1 20 20 ASN N N 20 118.703 118.703 117.520 1.183 17889
223 1 3 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.934 -0.341 17889
224 1 3 . 1 1 20 20 ASN H H 20 8.290 8.290 8.299 -0.009 17889
225 1 3 . 1 1 21 21 ASP N N 21 119.859 119.859 121.360 -1.501 17889
226 1 3 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.898 -0.350 17889
227 1 3 . 1 1 21 21 ASP H H 21 8.206 8.206 8.874 -0.668 17889
228 1 3 . 1 1 22 22 ASP N N 22 120.431 120.431 116.307 4.124 17889
229 1 3 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.668 -0.118 17889
230 1 3 . 1 1 22 22 ASP H H 22 8.294 8.294 8.631 -0.337 17889
231 1 3 . 1 1 23 23 SER N N 23 115.864 115.864 111.199 4.665 17889
232 1 3 . 1 1 23 23 SER HA H 23 4.213 4.213 4.751 -0.538 17889
233 1 3 . 1 1 23 23 SER H H 23 8.186 8.186 8.082 0.104 17889
234 1 3 . 1 1 24 24 TYR N N 24 121.678 121.678 122.509 -0.831 17889
235 1 3 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.657 -0.387 17889
236 1 3 . 1 1 24 24 TYR H H 24 7.955 7.955 8.036 -0.081 17889
237 1 3 . 1 1 25 25 PHE N N 25 119.567 119.567 119.540 0.027 17889
238 1 3 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.076 0.290 17889
239 1 3 . 1 1 25 25 PHE H H 25 7.776 7.776 7.533 0.243 17889
240 1 3 . 1 1 26 26 GLN N N 26 120.553 120.553 117.002 3.551 17889
241 1 3 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.832 0.300 17889
242 1 3 . 1 1 26 26 GLN H H 26 7.928 7.928 7.757 0.171 17889
243 1 3 . 1 1 27 27 ARG N N 27 121.580 121.580 119.154 2.426 17889
244 1 3 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.144 0.039 17889
245 1 3 . 1 1 27 27 ARG H H 27 8.027 8.027 8.118 -0.091 17889
246 1 3 . 1 1 28 28 LYS N N 28 123.672 123.672 123.983 -0.311 17889
247 1 3 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.776 -0.305 17889
248 1 3 . 1 1 28 28 LYS H H 28 8.158 8.158 8.254 -0.096 17889
249 1 3 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.480 -0.182 17889
250 1 3 . 1 1 30 30 LYS N N 30 121.864 121.864 119.727 2.137 17889
251 1 3 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.382 -0.187 17889
252 1 3 . 1 1 30 30 LYS H H 30 8.307 8.307 7.924 0.383 17889
253 1 3 . 1 1 31 31 LEU N N 31 124.171 124.171 120.062 4.109 17889
254 1 3 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.365 0.005 17889
255 1 3 . 1 1 31 31 LEU H H 31 8.276 8.276 8.317 -0.041 17889
256 1 3 . 1 1 32 32 THR N N 32 119.714 119.714 112.366 7.348 17889
257 1 3 . 1 1 32 32 THR HA H 32 4.378 4.378 4.348 0.030 17889
258 1 3 . 1 1 32 32 THR H H 32 7.952 7.952 7.715 0.237 17889
259 1 3 . 1 1 33 33 GLU N N 33 121.732 121.732 123.208 -1.476 17889
260 1 3 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.413 -0.243 17889
261 1 3 . 1 1 33 33 GLU H H 33 7.865 7.865 8.680 -0.815 17889
262 1 3 . 1 1 34 34 ALA N N 34 127.078 127.078 125.910 1.168 17889
263 1 3 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.811 -0.311 17889
264 1 3 . 1 1 34 34 ALA H H 34 8.215 8.215 8.173 0.042 17889
265 1 4 . 1 1 2 2 HIS N N 2 121.309 121.309 118.443 2.866 17889
266 1 4 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.649 0.004 17889
267 1 4 . 1 1 2 2 HIS H H 2 8.959 8.959 8.237 0.722 17889
268 1 4 . 1 1 3 3 LYS N N 3 123.963 123.963 119.288 4.675 17889
269 1 4 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.248 -0.053 17889
270 1 4 . 1 1 3 3 LYS H H 3 8.533 8.533 7.303 1.230 17889
271 1 4 . 1 1 4 4 HIS N N 4 120.657 120.657 120.886 -0.229 17889
272 1 4 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.608 -0.002 17889
273 1 4 . 1 1 4 4 HIS H H 4 8.690 8.690 8.890 -0.200 17889
274 1 4 . 1 1 5 5 SER N N 5 117.522 117.522 115.294 2.228 17889
275 1 4 . 1 1 5 5 SER HA H 5 4.347 4.347 4.365 -0.018 17889
276 1 4 . 1 1 5 5 SER H H 5 8.375 8.375 8.227 0.148 17889
277 1 4 . 1 1 6 6 ASP N N 6 122.035 122.035 121.465 0.570 17889
278 1 4 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.467 0.102 17889
279 1 4 . 1 1 6 6 ASP H H 6 8.405 8.405 8.261 0.144 17889
280 1 4 . 1 1 7 7 GLU N N 7 120.246 120.246 123.601 -3.355 17889
281 1 4 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.505 -0.232 17889
282 1 4 . 1 1 7 7 GLU H H 7 8.237 8.237 8.125 0.112 17889
283 1 4 . 1 1 8 8 SER N N 8 117.720 117.720 116.413 1.307 17889
284 1 4 . 1 1 8 8 SER HA H 8 4.398 4.398 4.111 0.287 17889
285 1 4 . 1 1 8 8 SER H H 8 8.193 8.193 8.665 -0.472 17889
286 1 4 . 1 1 9 9 THR N N 9 115.050 115.050 112.085 2.965 17889
287 1 4 . 1 1 9 9 THR HA H 9 4.226 4.226 4.019 0.207 17889
288 1 4 . 1 1 9 9 THR H H 9 8.051 8.051 8.187 -0.136 17889
289 1 4 . 1 1 10 10 SER N N 10 116.587 116.587 112.012 4.575 17889
290 1 4 . 1 1 10 10 SER HA H 10 4.341 4.341 4.674 -0.333 17889
291 1 4 . 1 1 10 10 SER H H 10 8.276 8.276 7.881 0.395 17889
292 1 4 . 1 1 14 14 GLU N N 14 121.529 121.529 119.744 1.785 17889
293 1 4 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.134 0.056 17889
294 1 4 . 1 1 14 14 GLU H H 14 8.117 8.117 8.951 -0.834 17889
295 1 4 . 1 1 15 15 SER N N 15 116.705 116.705 112.091 4.614 17889
296 1 4 . 1 1 15 15 SER HA H 15 4.331 4.331 4.302 0.029 17889
297 1 4 . 1 1 15 15 SER H H 15 8.114 8.114 7.979 0.135 17889
298 1 4 . 1 1 16 16 ILE N N 16 122.303 122.303 126.014 -3.711 17889
299 1 4 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.084 -0.023 17889
300 1 4 . 1 1 16 16 ILE H H 16 7.981 7.981 8.359 -0.378 17889
301 1 4 . 1 1 17 17 ALA N N 17 127.099 127.099 122.290 4.809 17889
302 1 4 . 1 1 17 17 ALA HA H 17 4.183 4.183 3.884 0.299 17889
303 1 4 . 1 1 17 17 ALA H H 17 8.161 8.161 7.648 0.513 17889
304 1 4 . 1 1 18 18 ASP N N 18 118.740 118.740 119.935 -1.195 17889
305 1 4 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.172 0.343 17889
306 1 4 . 1 1 18 18 ASP H H 18 8.134 8.134 9.031 -0.897 17889
307 1 4 . 1 1 19 19 ASN N N 19 118.913 118.913 113.087 5.826 17889
308 1 4 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.819 -0.254 17889
309 1 4 . 1 1 19 19 ASN H H 19 8.189 8.189 8.631 -0.442 17889
310 1 4 . 1 1 20 20 ASN N N 20 118.703 118.703 116.528 2.175 17889
311 1 4 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.786 -0.193 17889
312 1 4 . 1 1 20 20 ASN H H 20 8.290 8.290 7.775 0.515 17889
313 1 4 . 1 1 21 21 ASP N N 21 119.859 119.859 121.055 -1.196 17889
314 1 4 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.425 0.123 17889
315 1 4 . 1 1 21 21 ASP H H 21 8.206 8.206 8.730 -0.524 17889
316 1 4 . 1 1 22 22 ASP N N 22 120.431 120.431 116.575 3.856 17889
317 1 4 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.716 -0.166 17889
318 1 4 . 1 1 22 22 ASP H H 22 8.294 8.294 8.561 -0.267 17889
319 1 4 . 1 1 23 23 SER N N 23 115.864 115.864 113.404 2.460 17889
320 1 4 . 1 1 23 23 SER HA H 23 4.213 4.213 4.568 -0.355 17889
321 1 4 . 1 1 23 23 SER H H 23 8.186 8.186 8.176 0.010 17889
322 1 4 . 1 1 24 24 TYR N N 24 121.678 121.678 122.200 -0.522 17889
323 1 4 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.541 -0.271 17889
324 1 4 . 1 1 24 24 TYR H H 24 7.955 7.955 8.657 -0.702 17889
325 1 4 . 1 1 25 25 PHE N N 25 119.567 119.567 118.133 1.434 17889
326 1 4 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.726 0.640 17889
327 1 4 . 1 1 25 25 PHE H H 25 7.776 7.776 7.513 0.263 17889
328 1 4 . 1 1 26 26 GLN N N 26 120.553 120.553 116.840 3.713 17889
329 1 4 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.157 -0.025 17889
330 1 4 . 1 1 26 26 GLN H H 26 7.928 7.928 7.986 -0.058 17889
331 1 4 . 1 1 27 27 ARG N N 27 121.580 121.580 116.989 4.591 17889
332 1 4 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.162 0.021 17889
333 1 4 . 1 1 27 27 ARG H H 27 8.027 8.027 8.068 -0.041 17889
334 1 4 . 1 1 28 28 LYS N N 28 123.672 123.672 125.019 -1.347 17889
335 1 4 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.778 -0.307 17889
336 1 4 . 1 1 28 28 LYS H H 28 8.158 8.158 7.887 0.271 17889
337 1 4 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.266 0.032 17889
338 1 4 . 1 1 30 30 LYS N N 30 121.864 121.864 119.062 2.802 17889
339 1 4 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.185 0.010 17889
340 1 4 . 1 1 30 30 LYS H H 30 8.307 8.307 8.417 -0.110 17889
341 1 4 . 1 1 31 31 LEU N N 31 124.171 124.171 124.489 -0.318 17889
342 1 4 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.528 -0.158 17889
343 1 4 . 1 1 31 31 LEU H H 31 8.276 8.276 8.195 0.081 17889
344 1 4 . 1 1 32 32 THR N N 32 119.714 119.714 114.459 5.255 17889
345 1 4 . 1 1 32 32 THR HA H 32 4.378 4.378 4.250 0.128 17889
346 1 4 . 1 1 32 32 THR H H 32 7.952 7.952 7.632 0.320 17889
347 1 4 . 1 1 33 33 GLU N N 33 121.732 121.732 122.591 -0.859 17889
348 1 4 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.366 -0.196 17889
349 1 4 . 1 1 33 33 GLU H H 33 7.865 7.865 8.617 -0.752 17889
350 1 4 . 1 1 34 34 ALA N N 34 127.078 127.078 128.555 -1.477 17889
351 1 4 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.757 -0.257 17889
352 1 4 . 1 1 34 34 ALA H H 34 8.215 8.215 8.262 -0.047 17889
353 1 5 . 1 1 2 2 HIS N N 2 121.309 121.309 118.983 2.326 17889
354 1 5 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.820 -0.167 17889
355 1 5 . 1 1 2 2 HIS H H 2 8.959 8.959 8.095 0.864 17889
356 1 5 . 1 1 3 3 LYS N N 3 123.963 123.963 121.717 2.246 17889
357 1 5 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.280 -0.085 17889
358 1 5 . 1 1 3 3 LYS H H 3 8.533 8.533 7.290 1.243 17889
359 1 5 . 1 1 4 4 HIS N N 4 120.657 120.657 121.591 -0.934 17889
360 1 5 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.582 0.024 17889
361 1 5 . 1 1 4 4 HIS H H 4 8.690 8.690 8.634 0.056 17889
362 1 5 . 1 1 5 5 SER N N 5 117.522 117.522 119.123 -1.601 17889
363 1 5 . 1 1 5 5 SER HA H 5 4.347 4.347 3.893 0.454 17889
364 1 5 . 1 1 5 5 SER H H 5 8.375 8.375 8.503 -0.128 17889
365 1 5 . 1 1 6 6 ASP N N 6 122.035 122.035 117.935 4.100 17889
366 1 5 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.158 0.411 17889
367 1 5 . 1 1 6 6 ASP H H 6 8.405 8.405 8.274 0.131 17889
368 1 5 . 1 1 7 7 GLU N N 7 120.246 120.246 115.548 4.698 17889
369 1 5 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.394 -0.121 17889
370 1 5 . 1 1 7 7 GLU H H 7 8.237 8.237 8.319 -0.082 17889
371 1 5 . 1 1 8 8 SER N N 8 117.720 117.720 116.146 1.574 17889
372 1 5 . 1 1 8 8 SER HA H 8 4.398 4.398 4.681 -0.283 17889
373 1 5 . 1 1 8 8 SER H H 8 8.193 8.193 8.060 0.133 17889
374 1 5 . 1 1 9 9 THR N N 9 115.050 115.050 114.955 0.095 17889
375 1 5 . 1 1 9 9 THR HA H 9 4.226 4.226 3.886 0.340 17889
376 1 5 . 1 1 9 9 THR H H 9 8.051 8.051 7.899 0.152 17889
377 1 5 . 1 1 10 10 SER N N 10 116.587 116.587 117.231 -0.644 17889
378 1 5 . 1 1 10 10 SER HA H 10 4.341 4.341 3.983 0.358 17889
379 1 5 . 1 1 10 10 SER H H 10 8.276 8.276 8.489 -0.213 17889
380 1 5 . 1 1 14 14 GLU N N 14 121.529 121.529 121.584 -0.055 17889
381 1 5 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.336 -0.146 17889
382 1 5 . 1 1 14 14 GLU H H 14 8.117 8.117 8.771 -0.654 17889
383 1 5 . 1 1 15 15 SER N N 15 116.705 116.705 115.588 1.117 17889
384 1 5 . 1 1 15 15 SER HA H 15 4.331 4.331 4.603 -0.272 17889
385 1 5 . 1 1 15 15 SER H H 15 8.114 8.114 7.991 0.123 17889
386 1 5 . 1 1 16 16 ILE N N 16 122.303 122.303 122.553 -0.250 17889
387 1 5 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.904 0.157 17889
388 1 5 . 1 1 16 16 ILE H H 16 7.981 7.981 8.456 -0.475 17889
389 1 5 . 1 1 17 17 ALA N N 17 127.099 127.099 122.322 4.777 17889
390 1 5 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.031 0.152 17889
391 1 5 . 1 1 17 17 ALA H H 17 8.161 8.161 7.430 0.731 17889
392 1 5 . 1 1 18 18 ASP N N 18 118.740 118.740 117.079 1.661 17889
393 1 5 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.147 0.368 17889
394 1 5 . 1 1 18 18 ASP H H 18 8.134 8.134 8.928 -0.794 17889
395 1 5 . 1 1 19 19 ASN N N 19 118.913 118.913 111.535 7.378 17889
396 1 5 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.699 -0.134 17889
397 1 5 . 1 1 19 19 ASN H H 19 8.189 8.189 8.103 0.086 17889
398 1 5 . 1 1 20 20 ASN N N 20 118.703 118.703 119.404 -0.701 17889
399 1 5 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.763 -0.170 17889
400 1 5 . 1 1 20 20 ASN H H 20 8.290 8.290 8.034 0.256 17889
401 1 5 . 1 1 21 21 ASP N N 21 119.859 119.859 120.607 -0.748 17889
402 1 5 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.651 -0.103 17889
403 1 5 . 1 1 21 21 ASP H H 21 8.206 8.206 8.818 -0.612 17889
404 1 5 . 1 1 22 22 ASP N N 22 120.431 120.431 118.771 1.660 17889
405 1 5 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.770 -0.220 17889
406 1 5 . 1 1 22 22 ASP H H 22 8.294 8.294 8.559 -0.265 17889
407 1 5 . 1 1 23 23 SER N N 23 115.864 115.864 110.763 5.101 17889
408 1 5 . 1 1 23 23 SER HA H 23 4.213 4.213 4.734 -0.521 17889
409 1 5 . 1 1 23 23 SER H H 23 8.186 8.186 8.193 -0.007 17889
410 1 5 . 1 1 24 24 TYR N N 24 121.678 121.678 121.947 -0.269 17889
411 1 5 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.724 -0.454 17889
412 1 5 . 1 1 24 24 TYR H H 24 7.955 7.955 7.909 0.046 17889
413 1 5 . 1 1 25 25 PHE N N 25 119.567 119.567 120.168 -0.601 17889
414 1 5 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.339 0.027 17889
415 1 5 . 1 1 25 25 PHE H H 25 7.776 7.776 7.895 -0.119 17889
416 1 5 . 1 1 26 26 GLN N N 26 120.553 120.553 115.731 4.822 17889
417 1 5 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.906 0.226 17889
418 1 5 . 1 1 26 26 GLN H H 26 7.928 7.928 7.448 0.480 17889
419 1 5 . 1 1 27 27 ARG N N 27 121.580 121.580 117.349 4.231 17889
420 1 5 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.081 0.102 17889
421 1 5 . 1 1 27 27 ARG H H 27 8.027 8.027 8.139 -0.112 17889
422 1 5 . 1 1 28 28 LYS N N 28 123.672 123.672 121.962 1.710 17889
423 1 5 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.764 -0.293 17889
424 1 5 . 1 1 28 28 LYS H H 28 8.158 8.158 7.697 0.461 17889
425 1 5 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.260 0.038 17889
426 1 5 . 1 1 30 30 LYS N N 30 121.864 121.864 117.188 4.676 17889
427 1 5 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.339 -0.144 17889
428 1 5 . 1 1 30 30 LYS H H 30 8.307 8.307 8.276 0.031 17889
429 1 5 . 1 1 31 31 LEU N N 31 124.171 124.171 120.003 4.168 17889
430 1 5 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.023 0.347 17889
431 1 5 . 1 1 31 31 LEU H H 31 8.276 8.276 7.731 0.545 17889
432 1 5 . 1 1 32 32 THR N N 32 119.714 119.714 111.732 7.982 17889
433 1 5 . 1 1 32 32 THR HA H 32 4.378 4.378 3.916 0.462 17889
434 1 5 . 1 1 32 32 THR H H 32 7.952 7.952 8.093 -0.141 17889
435 1 5 . 1 1 33 33 GLU N N 33 121.732 121.732 117.096 4.636 17889
436 1 5 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.997 0.173 17889
437 1 5 . 1 1 33 33 GLU H H 33 7.865 7.865 8.466 -0.601 17889
438 1 5 . 1 1 34 34 ALA N N 34 127.078 127.078 122.419 4.659 17889
439 1 5 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.651 -0.151 17889
440 1 5 . 1 1 34 34 ALA H H 34 8.215 8.215 8.172 0.043 17889
441 1 6 . 1 1 2 2 HIS N N 2 121.309 121.309 119.078 2.231 17889
442 1 6 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.751 -0.098 17889
443 1 6 . 1 1 2 2 HIS H H 2 8.959 8.959 7.789 1.170 17889
444 1 6 . 1 1 3 3 LYS N N 3 123.963 123.963 123.749 0.214 17889
445 1 6 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.063 0.132 17889
446 1 6 . 1 1 3 3 LYS H H 3 8.533 8.533 8.669 -0.136 17889
447 1 6 . 1 1 4 4 HIS N N 4 120.657 120.657 122.126 -1.469 17889
448 1 6 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.676 -0.070 17889
449 1 6 . 1 1 4 4 HIS H H 4 8.690 8.690 8.527 0.163 17889
450 1 6 . 1 1 5 5 SER N N 5 117.522 117.522 117.564 -0.042 17889
451 1 6 . 1 1 5 5 SER HA H 5 4.347 4.347 4.524 -0.177 17889
452 1 6 . 1 1 5 5 SER H H 5 8.375 8.375 8.797 -0.422 17889
453 1 6 . 1 1 6 6 ASP N N 6 122.035 122.035 121.649 0.386 17889
454 1 6 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.468 0.101 17889
455 1 6 . 1 1 6 6 ASP H H 6 8.405 8.405 8.647 -0.242 17889
456 1 6 . 1 1 7 7 GLU N N 7 120.246 120.246 121.584 -1.338 17889
457 1 6 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.474 -0.201 17889
458 1 6 . 1 1 7 7 GLU H H 7 8.237 8.237 8.565 -0.328 17889
459 1 6 . 1 1 8 8 SER N N 8 117.720 117.720 115.684 2.036 17889
460 1 6 . 1 1 8 8 SER HA H 8 4.398 4.398 4.635 -0.237 17889
461 1 6 . 1 1 8 8 SER H H 8 8.193 8.193 8.408 -0.215 17889
462 1 6 . 1 1 9 9 THR N N 9 115.050 115.050 114.836 0.214 17889
463 1 6 . 1 1 9 9 THR HA H 9 4.226 4.226 4.187 0.039 17889
464 1 6 . 1 1 9 9 THR H H 9 8.051 8.051 8.118 -0.067 17889
465 1 6 . 1 1 10 10 SER N N 10 116.587 116.587 116.854 -0.267 17889
466 1 6 . 1 1 10 10 SER HA H 10 4.341 4.341 3.930 0.411 17889
467 1 6 . 1 1 10 10 SER H H 10 8.276 8.276 8.905 -0.629 17889
468 1 6 . 1 1 14 14 GLU N N 14 121.529 121.529 118.938 2.591 17889
469 1 6 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.962 0.228 17889
470 1 6 . 1 1 14 14 GLU H H 14 8.117 8.117 8.547 -0.430 17889
471 1 6 . 1 1 15 15 SER N N 15 116.705 116.705 111.822 4.883 17889
472 1 6 . 1 1 15 15 SER HA H 15 4.331 4.331 4.180 0.151 17889
473 1 6 . 1 1 15 15 SER H H 15 8.114 8.114 7.274 0.840 17889
474 1 6 . 1 1 16 16 ILE N N 16 122.303 122.303 121.449 0.854 17889
475 1 6 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.191 -0.130 17889
476 1 6 . 1 1 16 16 ILE H H 16 7.981 7.981 8.222 -0.241 17889
477 1 6 . 1 1 17 17 ALA N N 17 127.099 127.099 122.991 4.108 17889
478 1 6 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.414 -0.231 17889
479 1 6 . 1 1 17 17 ALA H H 17 8.161 8.161 7.432 0.729 17889
480 1 6 . 1 1 18 18 ASP N N 18 118.740 118.740 117.071 1.669 17889
481 1 6 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.930 -0.415 17889
482 1 6 . 1 1 18 18 ASP H H 18 8.134 8.134 8.344 -0.210 17889
483 1 6 . 1 1 19 19 ASN N N 19 118.913 118.913 115.170 3.743 17889
484 1 6 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.774 -0.209 17889
485 1 6 . 1 1 19 19 ASN H H 19 8.189 8.189 8.236 -0.047 17889
486 1 6 . 1 1 20 20 ASN N N 20 118.703 118.703 118.489 0.214 17889
487 1 6 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.887 -0.294 17889
488 1 6 . 1 1 20 20 ASN H H 20 8.290 8.290 8.501 -0.211 17889
489 1 6 . 1 1 21 21 ASP N N 21 119.859 119.859 118.327 1.532 17889
490 1 6 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.358 0.190 17889
491 1 6 . 1 1 21 21 ASP H H 21 8.206 8.206 8.086 0.120 17889
492 1 6 . 1 1 22 22 ASP N N 22 120.431 120.431 117.684 2.747 17889
493 1 6 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.526 0.024 17889
494 1 6 . 1 1 22 22 ASP H H 22 8.294 8.294 8.431 -0.137 17889
495 1 6 . 1 1 23 23 SER N N 23 115.864 115.864 113.687 2.177 17889
496 1 6 . 1 1 23 23 SER HA H 23 4.213 4.213 4.597 -0.384 17889
497 1 6 . 1 1 23 23 SER H H 23 8.186 8.186 7.778 0.408 17889
498 1 6 . 1 1 24 24 TYR N N 24 121.678 121.678 117.347 4.331 17889
499 1 6 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.855 -0.585 17889
500 1 6 . 1 1 24 24 TYR H H 24 7.955 7.955 7.167 0.788 17889
501 1 6 . 1 1 25 25 PHE N N 25 119.567 119.567 119.048 0.519 17889
502 1 6 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.558 -0.192 17889
503 1 6 . 1 1 25 25 PHE H H 25 7.776 7.776 7.399 0.377 17889
504 1 6 . 1 1 26 26 GLN N N 26 120.553 120.553 116.030 4.523 17889
505 1 6 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.462 -0.330 17889
506 1 6 . 1 1 26 26 GLN H H 26 7.928 7.928 7.951 -0.023 17889
507 1 6 . 1 1 27 27 ARG N N 27 121.580 121.580 119.168 2.412 17889
508 1 6 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.107 0.076 17889
509 1 6 . 1 1 27 27 ARG H H 27 8.027 8.027 8.263 -0.236 17889
510 1 6 . 1 1 28 28 LYS N N 28 123.672 123.672 124.841 -1.169 17889
511 1 6 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.782 -0.311 17889
512 1 6 . 1 1 28 28 LYS H H 28 8.158 8.158 8.186 -0.028 17889
513 1 6 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.316 -0.018 17889
514 1 6 . 1 1 30 30 LYS N N 30 121.864 121.864 119.365 2.499 17889
515 1 6 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.277 -0.082 17889
516 1 6 . 1 1 30 30 LYS H H 30 8.307 8.307 8.407 -0.100 17889
517 1 6 . 1 1 31 31 LEU N N 31 124.171 124.171 122.347 1.824 17889
518 1 6 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.566 -0.196 17889
519 1 6 . 1 1 31 31 LEU H H 31 8.276 8.276 8.336 -0.060 17889
520 1 6 . 1 1 32 32 THR N N 32 119.714 119.714 110.444 9.270 17889
521 1 6 . 1 1 32 32 THR HA H 32 4.378 4.378 4.404 -0.026 17889
522 1 6 . 1 1 32 32 THR H H 32 7.952 7.952 7.578 0.374 17889
523 1 6 . 1 1 33 33 GLU N N 33 121.732 121.732 122.215 -0.483 17889
524 1 6 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.195 -0.025 17889
525 1 6 . 1 1 33 33 GLU H H 33 7.865 7.865 8.201 -0.336 17889
526 1 6 . 1 1 34 34 ALA N N 34 127.078 127.078 123.756 3.322 17889
527 1 6 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.187 0.313 17889
528 1 6 . 1 1 34 34 ALA H H 34 8.215 8.215 8.305 -0.090 17889
529 1 7 . 1 1 2 2 HIS N N 2 121.309 121.309 119.793 1.516 17889
530 1 7 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.770 -0.117 17889
531 1 7 . 1 1 2 2 HIS H H 2 8.959 8.959 8.590 0.369 17889
532 1 7 . 1 1 3 3 LYS N N 3 123.963 123.963 119.155 4.808 17889
533 1 7 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.400 -0.205 17889
534 1 7 . 1 1 3 3 LYS H H 3 8.533 8.533 8.486 0.047 17889
535 1 7 . 1 1 4 4 HIS N N 4 120.657 120.657 120.215 0.442 17889
536 1 7 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.466 0.140 17889
537 1 7 . 1 1 4 4 HIS H H 4 8.690 8.690 8.054 0.636 17889
538 1 7 . 1 1 5 5 SER N N 5 117.522 117.522 117.876 -0.354 17889
539 1 7 . 1 1 5 5 SER HA H 5 4.347 4.347 4.545 -0.198 17889
540 1 7 . 1 1 5 5 SER H H 5 8.375 8.375 8.342 0.033 17889
541 1 7 . 1 1 6 6 ASP N N 6 122.035 122.035 126.870 -4.835 17889
542 1 7 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.587 -0.018 17889
543 1 7 . 1 1 6 6 ASP H H 6 8.405 8.405 8.977 -0.572 17889
544 1 7 . 1 1 7 7 GLU N N 7 120.246 120.246 118.140 2.106 17889
545 1 7 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.266 0.007 17889
546 1 7 . 1 1 7 7 GLU H H 7 8.237 8.237 8.249 -0.012 17889
547 1 7 . 1 1 8 8 SER N N 8 117.720 117.720 116.518 1.202 17889
548 1 7 . 1 1 8 8 SER HA H 8 4.398 4.398 4.612 -0.214 17889
549 1 7 . 1 1 8 8 SER H H 8 8.193 8.193 8.682 -0.489 17889
550 1 7 . 1 1 9 9 THR N N 9 115.050 115.050 113.414 1.636 17889
551 1 7 . 1 1 9 9 THR HA H 9 4.226 4.226 4.022 0.204 17889
552 1 7 . 1 1 9 9 THR H H 9 8.051 8.051 8.629 -0.578 17889
553 1 7 . 1 1 10 10 SER N N 10 116.587 116.587 113.133 3.454 17889
554 1 7 . 1 1 10 10 SER HA H 10 4.341 4.341 4.849 -0.508 17889
555 1 7 . 1 1 10 10 SER H H 10 8.276 8.276 7.537 0.739 17889
556 1 7 . 1 1 14 14 GLU N N 14 121.529 121.529 121.313 0.216 17889
557 1 7 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.060 0.130 17889
558 1 7 . 1 1 14 14 GLU H H 14 8.117 8.117 7.732 0.385 17889
559 1 7 . 1 1 15 15 SER N N 15 116.705 116.705 115.667 1.038 17889
560 1 7 . 1 1 15 15 SER HA H 15 4.331 4.331 4.375 -0.044 17889
561 1 7 . 1 1 15 15 SER H H 15 8.114 8.114 7.097 1.017 17889
562 1 7 . 1 1 16 16 ILE N N 16 122.303 122.303 122.658 -0.355 17889
563 1 7 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.843 0.218 17889
564 1 7 . 1 1 16 16 ILE H H 16 7.981 7.981 8.422 -0.441 17889
565 1 7 . 1 1 17 17 ALA N N 17 127.099 127.099 123.736 3.363 17889
566 1 7 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.183 -0.000 17889
567 1 7 . 1 1 17 17 ALA H H 17 8.161 8.161 8.492 -0.331 17889
568 1 7 . 1 1 18 18 ASP N N 18 118.740 118.740 118.430 0.310 17889
569 1 7 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.538 -0.023 17889
570 1 7 . 1 1 18 18 ASP H H 18 8.134 8.134 8.591 -0.457 17889
571 1 7 . 1 1 19 19 ASN N N 19 118.913 118.913 114.903 4.010 17889
572 1 7 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.645 -0.080 17889
573 1 7 . 1 1 19 19 ASN H H 19 8.189 8.189 8.153 0.036 17889
574 1 7 . 1 1 20 20 ASN N N 20 118.703 118.703 117.310 1.393 17889
575 1 7 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.543 0.050 17889
576 1 7 . 1 1 20 20 ASN H H 20 8.290 8.290 7.847 0.443 17889
577 1 7 . 1 1 21 21 ASP N N 21 119.859 119.859 119.409 0.450 17889
578 1 7 . 1 1 21 21 ASP HA H 21 4.548 4.548 3.951 0.597 17889
579 1 7 . 1 1 21 21 ASP H H 21 8.206 8.206 8.393 -0.187 17889
580 1 7 . 1 1 22 22 ASP N N 22 120.431 120.431 115.634 4.797 17889
581 1 7 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.539 0.011 17889
582 1 7 . 1 1 22 22 ASP H H 22 8.294 8.294 8.246 0.048 17889
583 1 7 . 1 1 23 23 SER N N 23 115.864 115.864 113.472 2.392 17889
584 1 7 . 1 1 23 23 SER HA H 23 4.213 4.213 4.522 -0.309 17889
585 1 7 . 1 1 23 23 SER H H 23 8.186 8.186 7.666 0.520 17889
586 1 7 . 1 1 24 24 TYR N N 24 121.678 121.678 113.590 8.088 17889
587 1 7 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.917 -0.647 17889
588 1 7 . 1 1 24 24 TYR H H 24 7.955 7.955 7.287 0.668 17889
589 1 7 . 1 1 25 25 PHE N N 25 119.567 119.567 122.389 -2.822 17889
590 1 7 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.828 -0.462 17889
591 1 7 . 1 1 25 25 PHE H H 25 7.776 7.776 8.204 -0.428 17889
592 1 7 . 1 1 26 26 GLN N N 26 120.553 120.553 118.580 1.973 17889
593 1 7 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.297 -0.165 17889
594 1 7 . 1 1 26 26 GLN H H 26 7.928 7.928 8.631 -0.703 17889
595 1 7 . 1 1 27 27 ARG N N 27 121.580 121.580 122.390 -0.810 17889
596 1 7 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.207 -0.024 17889
597 1 7 . 1 1 27 27 ARG H H 27 8.027 8.027 7.859 0.168 17889
598 1 7 . 1 1 28 28 LYS N N 28 123.672 123.672 122.597 1.075 17889
599 1 7 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.674 -0.203 17889
600 1 7 . 1 1 28 28 LYS H H 28 8.158 8.158 7.983 0.175 17889
601 1 7 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.415 -0.117 17889
602 1 7 . 1 1 30 30 LYS N N 30 121.864 121.864 119.289 2.575 17889
603 1 7 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.296 -0.101 17889
604 1 7 . 1 1 30 30 LYS H H 30 8.307 8.307 7.664 0.643 17889
605 1 7 . 1 1 31 31 LEU N N 31 124.171 124.171 123.539 0.632 17889
606 1 7 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.533 -0.163 17889
607 1 7 . 1 1 31 31 LEU H H 31 8.276 8.276 8.516 -0.240 17889
608 1 7 . 1 1 32 32 THR N N 32 119.714 119.714 116.327 3.387 17889
609 1 7 . 1 1 32 32 THR HA H 32 4.378 4.378 3.956 0.422 17889
610 1 7 . 1 1 32 32 THR H H 32 7.952 7.952 8.505 -0.553 17889
611 1 7 . 1 1 33 33 GLU N N 33 121.732 121.732 121.854 -0.122 17889
612 1 7 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.371 -0.201 17889
613 1 7 . 1 1 33 33 GLU H H 33 7.865 7.865 8.563 -0.698 17889
614 1 7 . 1 1 34 34 ALA N N 34 127.078 127.078 130.228 -3.150 17889
615 1 7 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.509 -0.009 17889
616 1 7 . 1 1 34 34 ALA H H 34 8.215 8.215 8.573 -0.358 17889
617 1 8 . 1 1 2 2 HIS N N 2 121.309 121.309 119.387 1.922 17889
618 1 8 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.982 -0.329 17889
619 1 8 . 1 1 2 2 HIS H H 2 8.959 8.959 8.037 0.922 17889
620 1 8 . 1 1 3 3 LYS N N 3 123.963 123.963 119.265 4.698 17889
621 1 8 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.504 -0.309 17889
622 1 8 . 1 1 3 3 LYS H H 3 8.533 8.533 8.542 -0.009 17889
623 1 8 . 1 1 4 4 HIS N N 4 120.657 120.657 117.737 2.920 17889
624 1 8 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.575 0.031 17889
625 1 8 . 1 1 4 4 HIS H H 4 8.690 8.690 8.289 0.401 17889
626 1 8 . 1 1 5 5 SER N N 5 117.522 117.522 113.273 4.249 17889
627 1 8 . 1 1 5 5 SER HA H 5 4.347 4.347 4.460 -0.113 17889
628 1 8 . 1 1 5 5 SER H H 5 8.375 8.375 8.398 -0.023 17889
629 1 8 . 1 1 6 6 ASP N N 6 122.035 122.035 119.947 2.088 17889
630 1 8 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.746 -0.177 17889
631 1 8 . 1 1 6 6 ASP H H 6 8.405 8.405 7.767 0.638 17889
632 1 8 . 1 1 7 7 GLU N N 7 120.246 120.246 122.174 -1.928 17889
633 1 8 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.497 -0.224 17889
634 1 8 . 1 1 7 7 GLU H H 7 8.237 8.237 8.453 -0.216 17889
635 1 8 . 1 1 8 8 SER N N 8 117.720 117.720 116.482 1.238 17889
636 1 8 . 1 1 8 8 SER HA H 8 4.398 4.398 4.153 0.245 17889
637 1 8 . 1 1 8 8 SER H H 8 8.193 8.193 8.924 -0.731 17889
638 1 8 . 1 1 9 9 THR N N 9 115.050 115.050 113.621 1.429 17889
639 1 8 . 1 1 9 9 THR HA H 9 4.226 4.226 4.141 0.085 17889
640 1 8 . 1 1 9 9 THR H H 9 8.051 8.051 8.141 -0.090 17889
641 1 8 . 1 1 10 10 SER N N 10 116.587 116.587 112.979 3.608 17889
642 1 8 . 1 1 10 10 SER HA H 10 4.341 4.341 4.507 -0.166 17889
643 1 8 . 1 1 10 10 SER H H 10 8.276 8.276 8.201 0.075 17889
644 1 8 . 1 1 14 14 GLU N N 14 121.529 121.529 122.765 -1.236 17889
645 1 8 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.028 0.162 17889
646 1 8 . 1 1 14 14 GLU H H 14 8.117 8.117 8.869 -0.752 17889
647 1 8 . 1 1 15 15 SER N N 15 116.705 116.705 113.460 3.245 17889
648 1 8 . 1 1 15 15 SER HA H 15 4.331 4.331 4.333 -0.002 17889
649 1 8 . 1 1 15 15 SER H H 15 8.114 8.114 7.724 0.390 17889
650 1 8 . 1 1 16 16 ILE N N 16 122.303 122.303 122.235 0.068 17889
651 1 8 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.823 0.238 17889
652 1 8 . 1 1 16 16 ILE H H 16 7.981 7.981 8.647 -0.666 17889
653 1 8 . 1 1 17 17 ALA N N 17 127.099 127.099 120.361 6.738 17889
654 1 8 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.174 0.009 17889
655 1 8 . 1 1 17 17 ALA H H 17 8.161 8.161 7.800 0.361 17889
656 1 8 . 1 1 18 18 ASP N N 18 118.740 118.740 117.171 1.569 17889
657 1 8 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.194 0.321 17889
658 1 8 . 1 1 18 18 ASP H H 18 8.134 8.134 8.880 -0.746 17889
659 1 8 . 1 1 19 19 ASN N N 19 118.913 118.913 112.883 6.030 17889
660 1 8 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.721 -0.156 17889
661 1 8 . 1 1 19 19 ASN H H 19 8.189 8.189 7.997 0.192 17889
662 1 8 . 1 1 20 20 ASN N N 20 118.703 118.703 118.153 0.550 17889
663 1 8 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.884 -0.291 17889
664 1 8 . 1 1 20 20 ASN H H 20 8.290 8.290 8.215 0.075 17889
665 1 8 . 1 1 21 21 ASP N N 21 119.859 119.859 120.305 -0.446 17889
666 1 8 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.636 -0.088 17889
667 1 8 . 1 1 21 21 ASP H H 21 8.206 8.206 8.832 -0.626 17889
668 1 8 . 1 1 22 22 ASP N N 22 120.431 120.431 118.909 1.522 17889
669 1 8 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.437 0.113 17889
670 1 8 . 1 1 22 22 ASP H H 22 8.294 8.294 8.604 -0.310 17889
671 1 8 . 1 1 23 23 SER N N 23 115.864 115.864 111.951 3.913 17889
672 1 8 . 1 1 23 23 SER HA H 23 4.213 4.213 4.674 -0.461 17889
673 1 8 . 1 1 23 23 SER H H 23 8.186 8.186 8.038 0.148 17889
674 1 8 . 1 1 24 24 TYR N N 24 121.678 121.678 120.179 1.499 17889
675 1 8 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.601 -0.331 17889
676 1 8 . 1 1 24 24 TYR H H 24 7.955 7.955 7.937 0.018 17889
677 1 8 . 1 1 25 25 PHE N N 25 119.567 119.567 119.138 0.429 17889
678 1 8 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.468 -0.102 17889
679 1 8 . 1 1 25 25 PHE H H 25 7.776 7.776 7.619 0.157 17889
680 1 8 . 1 1 26 26 GLN N N 26 120.553 120.553 118.556 1.997 17889
681 1 8 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.201 -0.069 17889
682 1 8 . 1 1 26 26 GLN H H 26 7.928 7.928 8.216 -0.288 17889
683 1 8 . 1 1 27 27 ARG N N 27 121.580 121.580 119.474 2.106 17889
684 1 8 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.075 0.108 17889
685 1 8 . 1 1 27 27 ARG H H 27 8.027 8.027 7.885 0.142 17889
686 1 8 . 1 1 28 28 LYS N N 28 123.672 123.672 117.545 6.127 17889
687 1 8 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.030 0.441 17889
688 1 8 . 1 1 28 28 LYS H H 28 8.158 8.158 8.505 -0.347 17889
689 1 8 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.307 -0.009 17889
690 1 8 . 1 1 30 30 LYS N N 30 121.864 121.864 116.489 5.375 17889
691 1 8 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.138 0.057 17889
692 1 8 . 1 1 30 30 LYS H H 30 8.307 8.307 8.047 0.260 17889
693 1 8 . 1 1 31 31 LEU N N 31 124.171 124.171 120.882 3.289 17889
694 1 8 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.408 -0.038 17889
695 1 8 . 1 1 31 31 LEU H H 31 8.276 8.276 8.445 -0.169 17889
696 1 8 . 1 1 32 32 THR N N 32 119.714 119.714 111.217 8.497 17889
697 1 8 . 1 1 32 32 THR HA H 32 4.378 4.378 4.368 0.010 17889
698 1 8 . 1 1 32 32 THR H H 32 7.952 7.952 7.572 0.380 17889
699 1 8 . 1 1 33 33 GLU N N 33 121.732 121.732 120.438 1.294 17889
700 1 8 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.951 -0.781 17889
701 1 8 . 1 1 33 33 GLU H H 33 7.865 7.865 8.384 -0.519 17889
702 1 8 . 1 1 34 34 ALA N N 34 127.078 127.078 127.470 -0.392 17889
703 1 8 . 1 1 34 34 ALA HA H 34 4.500 4.500 5.192 -0.692 17889
704 1 8 . 1 1 34 34 ALA H H 34 8.215 8.215 8.660 -0.445 17889
705 1 9 . 1 1 2 2 HIS N N 2 121.309 121.309 121.387 -0.078 17889
706 1 9 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.646 0.007 17889
707 1 9 . 1 1 2 2 HIS H H 2 8.959 8.959 8.271 0.688 17889
708 1 9 . 1 1 3 3 LYS N N 3 123.963 123.963 121.840 2.123 17889
709 1 9 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.247 -0.052 17889
710 1 9 . 1 1 3 3 LYS H H 3 8.533 8.533 7.984 0.548 17889
711 1 9 . 1 1 4 4 HIS N N 4 120.657 120.657 120.193 0.464 17889
712 1 9 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.594 0.012 17889
713 1 9 . 1 1 4 4 HIS H H 4 8.690 8.690 8.185 0.505 17889
714 1 9 . 1 1 5 5 SER N N 5 117.522 117.522 115.198 2.324 17889
715 1 9 . 1 1 5 5 SER HA H 5 4.347 4.347 4.408 -0.061 17889
716 1 9 . 1 1 5 5 SER H H 5 8.375 8.375 7.831 0.544 17889
717 1 9 . 1 1 6 6 ASP N N 6 122.035 122.035 126.581 -4.546 17889
718 1 9 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.712 -0.143 17889
719 1 9 . 1 1 6 6 ASP H H 6 8.405 8.405 8.072 0.333 17889
720 1 9 . 1 1 7 7 GLU N N 7 120.246 120.246 118.167 2.079 17889
721 1 9 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.347 -0.074 17889
722 1 9 . 1 1 7 7 GLU H H 7 8.237 8.237 8.484 -0.247 17889
723 1 9 . 1 1 8 8 SER N N 8 117.720 117.720 115.712 2.008 17889
724 1 9 . 1 1 8 8 SER HA H 8 4.398 4.398 4.392 0.006 17889
725 1 9 . 1 1 8 8 SER H H 8 8.193 8.193 8.587 -0.394 17889
726 1 9 . 1 1 9 9 THR N N 9 115.050 115.050 109.398 5.652 17889
727 1 9 . 1 1 9 9 THR HA H 9 4.226 4.226 4.034 0.192 17889
728 1 9 . 1 1 9 9 THR H H 9 8.051 8.051 8.161 -0.110 17889
729 1 9 . 1 1 10 10 SER N N 10 116.587 116.587 113.250 3.337 17889
730 1 9 . 1 1 10 10 SER HA H 10 4.341 4.341 4.488 -0.147 17889
731 1 9 . 1 1 10 10 SER H H 10 8.276 8.276 7.688 0.588 17889
732 1 9 . 1 1 14 14 GLU N N 14 121.529 121.529 121.748 -0.219 17889
733 1 9 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.925 0.265 17889
734 1 9 . 1 1 14 14 GLU H H 14 8.117 8.117 8.371 -0.254 17889
735 1 9 . 1 1 15 15 SER N N 15 116.705 116.705 117.426 -0.721 17889
736 1 9 . 1 1 15 15 SER HA H 15 4.331 4.331 4.588 -0.257 17889
737 1 9 . 1 1 15 15 SER H H 15 8.114 8.114 8.345 -0.231 17889
738 1 9 . 1 1 16 16 ILE N N 16 122.303 122.303 122.478 -0.175 17889
739 1 9 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.870 0.191 17889
740 1 9 . 1 1 16 16 ILE H H 16 7.981 7.981 8.438 -0.457 17889
741 1 9 . 1 1 17 17 ALA N N 17 127.099 127.099 122.299 4.800 17889
742 1 9 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.167 0.016 17889
743 1 9 . 1 1 17 17 ALA H H 17 8.161 8.161 7.724 0.437 17889
744 1 9 . 1 1 18 18 ASP N N 18 118.740 118.740 116.967 1.773 17889
745 1 9 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.327 0.188 17889
746 1 9 . 1 1 18 18 ASP H H 18 8.134 8.134 9.100 -0.966 17889
747 1 9 . 1 1 19 19 ASN N N 19 118.913 118.913 112.130 6.783 17889
748 1 9 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.703 -0.138 17889
749 1 9 . 1 1 19 19 ASN H H 19 8.189 8.189 8.011 0.178 17889
750 1 9 . 1 1 20 20 ASN N N 20 118.703 118.703 115.947 2.756 17889
751 1 9 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.686 -0.093 17889
752 1 9 . 1 1 20 20 ASN H H 20 8.290 8.290 8.028 0.262 17889
753 1 9 . 1 1 21 21 ASP N N 21 119.859 119.859 119.401 0.458 17889
754 1 9 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.199 0.349 17889
755 1 9 . 1 1 21 21 ASP H H 21 8.206 8.206 8.427 -0.221 17889
756 1 9 . 1 1 22 22 ASP N N 22 120.431 120.431 116.376 4.055 17889
757 1 9 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.495 0.055 17889
758 1 9 . 1 1 22 22 ASP H H 22 8.294 8.294 8.871 -0.577 17889
759 1 9 . 1 1 23 23 SER N N 23 115.864 115.864 115.466 0.398 17889
760 1 9 . 1 1 23 23 SER HA H 23 4.213 4.213 4.411 -0.198 17889
761 1 9 . 1 1 23 23 SER H H 23 8.186 8.186 7.735 0.451 17889
762 1 9 . 1 1 24 24 TYR N N 24 121.678 121.678 113.571 8.107 17889
763 1 9 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.732 -0.462 17889
764 1 9 . 1 1 24 24 TYR H H 24 7.955 7.955 7.378 0.577 17889
765 1 9 . 1 1 25 25 PHE N N 25 119.567 119.567 121.519 -1.952 17889
766 1 9 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.723 -0.357 17889
767 1 9 . 1 1 25 25 PHE H H 25 7.776 7.776 7.573 0.203 17889
768 1 9 . 1 1 26 26 GLN N N 26 120.553 120.553 117.850 2.703 17889
769 1 9 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.069 0.063 17889
770 1 9 . 1 1 26 26 GLN H H 26 7.928 7.928 8.109 -0.181 17889
771 1 9 . 1 1 27 27 ARG N N 27 121.580 121.580 114.652 6.928 17889
772 1 9 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.193 -0.010 17889
773 1 9 . 1 1 27 27 ARG H H 27 8.027 8.027 7.655 0.372 17889
774 1 9 . 1 1 28 28 LYS N N 28 123.672 123.672 119.970 3.702 17889
775 1 9 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.752 -0.281 17889
776 1 9 . 1 1 28 28 LYS H H 28 8.158 8.158 8.111 0.047 17889
777 1 9 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.266 0.032 17889
778 1 9 . 1 1 30 30 LYS N N 30 121.864 121.864 113.727 8.137 17889
779 1 9 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.427 -0.232 17889
780 1 9 . 1 1 30 30 LYS H H 30 8.307 8.307 7.476 0.831 17889
781 1 9 . 1 1 31 31 LEU N N 31 124.171 124.171 113.076 11.095 17889
782 1 9 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.594 -0.224 17889
783 1 9 . 1 1 31 31 LEU H H 31 8.276 8.276 8.080 0.196 17889
784 1 9 . 1 1 32 32 THR N N 32 119.714 119.714 113.610 6.104 17889
785 1 9 . 1 1 32 32 THR HA H 32 4.378 4.378 4.449 -0.071 17889
786 1 9 . 1 1 32 32 THR H H 32 7.952 7.952 8.107 -0.155 17889
787 1 9 . 1 1 33 33 GLU N N 33 121.732 121.732 119.974 1.758 17889
788 1 9 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.626 -0.456 17889
789 1 9 . 1 1 33 33 GLU H H 33 7.865 7.865 8.154 -0.289 17889
790 1 9 . 1 1 34 34 ALA N N 34 127.078 127.078 123.725 3.353 17889
791 1 9 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.132 0.368 17889
792 1 9 . 1 1 34 34 ALA H H 34 8.215 8.215 8.156 0.059 17889
793 1 10 . 1 1 2 2 HIS N N 2 121.309 121.309 119.673 1.636 17889
794 1 10 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.699 -0.046 17889
795 1 10 . 1 1 2 2 HIS H H 2 8.959 8.959 7.983 0.976 17889
796 1 10 . 1 1 3 3 LYS N N 3 123.963 123.963 119.823 4.140 17889
797 1 10 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.066 0.129 17889
798 1 10 . 1 1 3 3 LYS H H 3 8.533 8.533 8.991 -0.458 17889
799 1 10 . 1 1 4 4 HIS N N 4 120.657 120.657 120.936 -0.279 17889
800 1 10 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.670 -0.064 17889
801 1 10 . 1 1 4 4 HIS H H 4 8.690 8.690 8.406 0.284 17889
802 1 10 . 1 1 5 5 SER N N 5 117.522 117.522 115.014 2.508 17889
803 1 10 . 1 1 5 5 SER HA H 5 4.347 4.347 4.203 0.144 17889
804 1 10 . 1 1 5 5 SER H H 5 8.375 8.375 8.275 0.100 17889
805 1 10 . 1 1 6 6 ASP N N 6 122.035 122.035 117.066 4.969 17889
806 1 10 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.663 -0.094 17889
807 1 10 . 1 1 6 6 ASP H H 6 8.405 8.405 8.113 0.292 17889
808 1 10 . 1 1 7 7 GLU N N 7 120.246 120.246 118.242 2.004 17889
809 1 10 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.431 -0.158 17889
810 1 10 . 1 1 7 7 GLU H H 7 8.237 8.237 8.075 0.162 17889
811 1 10 . 1 1 8 8 SER N N 8 117.720 117.720 115.325 2.395 17889
812 1 10 . 1 1 8 8 SER HA H 8 4.398 4.398 4.591 -0.193 17889
813 1 10 . 1 1 8 8 SER H H 8 8.193 8.193 8.453 -0.260 17889
814 1 10 . 1 1 9 9 THR N N 9 115.050 115.050 114.273 0.777 17889
815 1 10 . 1 1 9 9 THR HA H 9 4.226 4.226 4.099 0.127 17889
816 1 10 . 1 1 9 9 THR H H 9 8.051 8.051 8.146 -0.095 17889
817 1 10 . 1 1 10 10 SER N N 10 116.587 116.587 113.931 2.656 17889
818 1 10 . 1 1 10 10 SER HA H 10 4.341 4.341 4.705 -0.364 17889
819 1 10 . 1 1 10 10 SER H H 10 8.276 8.276 8.135 0.141 17889
820 1 10 . 1 1 14 14 GLU N N 14 121.529 121.529 118.172 3.357 17889
821 1 10 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.391 -0.201 17889
822 1 10 . 1 1 14 14 GLU H H 14 8.117 8.117 8.588 -0.471 17889
823 1 10 . 1 1 15 15 SER N N 15 116.705 116.705 111.917 4.788 17889
824 1 10 . 1 1 15 15 SER HA H 15 4.331 4.331 4.983 -0.652 17889
825 1 10 . 1 1 15 15 SER H H 15 8.114 8.114 7.614 0.500 17889
826 1 10 . 1 1 16 16 ILE N N 16 122.303 122.303 115.497 6.806 17889
827 1 10 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.438 -0.377 17889
828 1 10 . 1 1 16 16 ILE H H 16 7.981 7.981 8.822 -0.841 17889
829 1 10 . 1 1 17 17 ALA N N 17 127.099 127.099 125.118 1.981 17889
830 1 10 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.343 -0.160 17889
831 1 10 . 1 1 17 17 ALA H H 17 8.161 8.161 8.191 -0.030 17889
832 1 10 . 1 1 18 18 ASP N N 18 118.740 118.740 116.227 2.513 17889
833 1 10 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.843 -0.328 17889
834 1 10 . 1 1 18 18 ASP H H 18 8.134 8.134 8.428 -0.294 17889
835 1 10 . 1 1 19 19 ASN N N 19 118.913 118.913 115.207 3.706 17889
836 1 10 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.733 -0.168 17889
837 1 10 . 1 1 19 19 ASN H H 19 8.189 8.189 8.274 -0.085 17889
838 1 10 . 1 1 20 20 ASN N N 20 118.703 118.703 116.740 1.963 17889
839 1 10 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.855 -0.262 17889
840 1 10 . 1 1 20 20 ASN H H 20 8.290 8.290 7.815 0.475 17889
841 1 10 . 1 1 21 21 ASP N N 21 119.859 119.859 119.397 0.462 17889
842 1 10 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.409 0.139 17889
843 1 10 . 1 1 21 21 ASP H H 21 8.206 8.206 8.619 -0.413 17889
844 1 10 . 1 1 22 22 ASP N N 22 120.431 120.431 116.909 3.522 17889
845 1 10 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.629 -0.079 17889
846 1 10 . 1 1 22 22 ASP H H 22 8.294 8.294 8.484 -0.190 17889
847 1 10 . 1 1 23 23 SER N N 23 115.864 115.864 114.024 1.840 17889
848 1 10 . 1 1 23 23 SER HA H 23 4.213 4.213 4.478 -0.265 17889
849 1 10 . 1 1 23 23 SER H H 23 8.186 8.186 7.857 0.329 17889
850 1 10 . 1 1 24 24 TYR N N 24 121.678 121.678 112.322 9.356 17889
851 1 10 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.878 -0.608 17889
852 1 10 . 1 1 24 24 TYR H H 24 7.955 7.955 7.674 0.281 17889
853 1 10 . 1 1 25 25 PHE N N 25 119.567 119.567 118.497 1.070 17889
854 1 10 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.650 -0.284 17889
855 1 10 . 1 1 25 25 PHE H H 25 7.776 7.776 7.502 0.274 17889
856 1 10 . 1 1 26 26 GLN N N 26 120.553 120.553 116.117 4.436 17889
857 1 10 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.542 -0.410 17889
858 1 10 . 1 1 26 26 GLN H H 26 7.928 7.928 8.159 -0.231 17889
859 1 10 . 1 1 27 27 ARG N N 27 121.580 121.580 122.355 -0.775 17889
860 1 10 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.280 -0.097 17889
861 1 10 . 1 1 27 27 ARG H H 27 8.027 8.027 8.093 -0.066 17889
862 1 10 . 1 1 28 28 LYS N N 28 123.672 123.672 119.006 4.666 17889
863 1 10 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.087 0.384 17889
864 1 10 . 1 1 28 28 LYS H H 28 8.158 8.158 8.107 0.051 17889
865 1 10 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.623 -0.325 17889
866 1 10 . 1 1 30 30 LYS N N 30 121.864 121.864 123.293 -1.429 17889
867 1 10 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.472 -0.277 17889
868 1 10 . 1 1 30 30 LYS H H 30 8.307 8.307 8.352 -0.045 17889
869 1 10 . 1 1 31 31 LEU N N 31 124.171 124.171 119.675 4.496 17889
870 1 10 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.983 0.387 17889
871 1 10 . 1 1 31 31 LEU H H 31 8.276 8.276 8.297 -0.021 17889
872 1 10 . 1 1 32 32 THR N N 32 119.714 119.714 110.086 9.628 17889
873 1 10 . 1 1 32 32 THR HA H 32 4.378 4.378 4.395 -0.017 17889
874 1 10 . 1 1 32 32 THR H H 32 7.952 7.952 7.909 0.043 17889
875 1 10 . 1 1 33 33 GLU N N 33 121.732 121.732 119.905 1.827 17889
876 1 10 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.586 -0.416 17889
877 1 10 . 1 1 33 33 GLU H H 33 7.865 7.865 8.302 -0.437 17889
878 1 10 . 1 1 34 34 ALA N N 34 127.078 127.078 124.613 2.465 17889
879 1 10 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.467 0.033 17889
880 1 10 . 1 1 34 34 ALA H H 34 8.215 8.215 8.212 0.003 17889
881 1 11 . 1 1 2 2 HIS N N 2 121.309 121.309 120.557 0.752 17889
882 1 11 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.662 -0.009 17889
883 1 11 . 1 1 2 2 HIS H H 2 8.959 8.959 8.705 0.254 17889
884 1 11 . 1 1 3 3 LYS N N 3 123.963 123.963 122.294 1.669 17889
885 1 11 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.426 -0.231 17889
886 1 11 . 1 1 3 3 LYS H H 3 8.533 8.533 8.612 -0.079 17889
887 1 11 . 1 1 4 4 HIS N N 4 120.657 120.657 116.998 3.659 17889
888 1 11 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.403 0.203 17889
889 1 11 . 1 1 4 4 HIS H H 4 8.690 8.690 7.641 1.049 17889
890 1 11 . 1 1 5 5 SER N N 5 117.522 117.522 114.998 2.524 17889
891 1 11 . 1 1 5 5 SER HA H 5 4.347 4.347 4.433 -0.085 17889
892 1 11 . 1 1 5 5 SER H H 5 8.375 8.375 8.524 -0.149 17889
893 1 11 . 1 1 6 6 ASP N N 6 122.035 122.035 121.855 0.180 17889
894 1 11 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.640 -0.071 17889
895 1 11 . 1 1 6 6 ASP H H 6 8.405 8.405 8.256 0.149 17889
896 1 11 . 1 1 7 7 GLU N N 7 120.246 120.246 123.317 -3.071 17889
897 1 11 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.305 -0.032 17889
898 1 11 . 1 1 7 7 GLU H H 7 8.237 8.237 8.184 0.053 17889
899 1 11 . 1 1 8 8 SER N N 8 117.720 117.720 115.407 2.313 17889
900 1 11 . 1 1 8 8 SER HA H 8 4.398 4.398 4.635 -0.237 17889
901 1 11 . 1 1 8 8 SER H H 8 8.193 8.193 7.994 0.199 17889
902 1 11 . 1 1 9 9 THR N N 9 115.050 115.050 110.500 4.550 17889
903 1 11 . 1 1 9 9 THR HA H 9 4.226 4.226 4.120 0.106 17889
904 1 11 . 1 1 9 9 THR H H 9 8.051 8.051 8.158 -0.107 17889
905 1 11 . 1 1 10 10 SER N N 10 116.587 116.587 114.497 2.090 17889
906 1 11 . 1 1 10 10 SER HA H 10 4.341 4.341 4.513 -0.172 17889
907 1 11 . 1 1 10 10 SER H H 10 8.276 8.276 7.714 0.562 17889
908 1 11 . 1 1 14 14 GLU N N 14 121.529 121.529 128.838 -7.309 17889
909 1 11 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.285 -0.095 17889
910 1 11 . 1 1 14 14 GLU H H 14 8.117 8.117 8.399 -0.282 17889
911 1 11 . 1 1 15 15 SER N N 15 116.705 116.705 119.635 -2.930 17889
912 1 11 . 1 1 15 15 SER HA H 15 4.331 4.331 4.403 -0.072 17889
913 1 11 . 1 1 15 15 SER H H 15 8.114 8.114 8.197 -0.083 17889
914 1 11 . 1 1 16 16 ILE N N 16 122.303 122.303 121.933 0.370 17889
915 1 11 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.788 0.273 17889
916 1 11 . 1 1 16 16 ILE H H 16 7.981 7.981 8.687 -0.706 17889
917 1 11 . 1 1 17 17 ALA N N 17 127.099 127.099 121.809 5.290 17889
918 1 11 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.003 0.180 17889
919 1 11 . 1 1 17 17 ALA H H 17 8.161 8.161 7.426 0.735 17889
920 1 11 . 1 1 18 18 ASP N N 18 118.740 118.740 118.081 0.659 17889
921 1 11 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.238 0.277 17889
922 1 11 . 1 1 18 18 ASP H H 18 8.134 8.134 8.883 -0.749 17889
923 1 11 . 1 1 19 19 ASN N N 19 118.913 118.913 112.484 6.429 17889
924 1 11 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.686 -0.121 17889
925 1 11 . 1 1 19 19 ASN H H 19 8.189 8.189 7.978 0.211 17889
926 1 11 . 1 1 20 20 ASN N N 20 118.703 118.703 118.410 0.293 17889
927 1 11 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.863 -0.270 17889
928 1 11 . 1 1 20 20 ASN H H 20 8.290 8.290 8.198 0.092 17889
929 1 11 . 1 1 21 21 ASP N N 21 119.859 119.859 118.583 1.276 17889
930 1 11 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.672 -0.124 17889
931 1 11 . 1 1 21 21 ASP H H 21 8.206 8.206 8.867 -0.661 17889
932 1 11 . 1 1 22 22 ASP N N 22 120.431 120.431 115.599 4.832 17889
933 1 11 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.501 0.049 17889
934 1 11 . 1 1 22 22 ASP H H 22 8.294 8.294 8.500 -0.206 17889
935 1 11 . 1 1 23 23 SER N N 23 115.864 115.864 112.014 3.850 17889
936 1 11 . 1 1 23 23 SER HA H 23 4.213 4.213 4.481 -0.268 17889
937 1 11 . 1 1 23 23 SER H H 23 8.186 8.186 7.638 0.548 17889
938 1 11 . 1 1 24 24 TYR N N 24 121.678 121.678 123.434 -1.756 17889
939 1 11 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.418 -0.148 17889
940 1 11 . 1 1 24 24 TYR H H 24 7.955 7.955 8.569 -0.614 17889
941 1 11 . 1 1 25 25 PHE N N 25 119.567 119.567 117.956 1.611 17889
942 1 11 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.978 0.388 17889
943 1 11 . 1 1 25 25 PHE H H 25 7.776 7.776 7.885 -0.109 17889
944 1 11 . 1 1 26 26 GLN N N 26 120.553 120.553 117.249 3.304 17889
945 1 11 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.173 -0.041 17889
946 1 11 . 1 1 26 26 GLN H H 26 7.928 7.928 7.752 0.176 17889
947 1 11 . 1 1 27 27 ARG N N 27 121.580 121.580 116.513 5.067 17889
948 1 11 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.222 -0.039 17889
949 1 11 . 1 1 27 27 ARG H H 27 8.027 8.027 8.269 -0.242 17889
950 1 11 . 1 1 28 28 LYS N N 28 123.672 123.672 124.226 -0.554 17889
951 1 11 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.829 -0.358 17889
952 1 11 . 1 1 28 28 LYS H H 28 8.158 8.158 8.372 -0.214 17889
953 1 11 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.364 -0.066 17889
954 1 11 . 1 1 30 30 LYS N N 30 121.864 121.864 116.197 5.667 17889
955 1 11 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.300 -0.105 17889
956 1 11 . 1 1 30 30 LYS H H 30 8.307 8.307 8.123 0.184 17889
957 1 11 . 1 1 31 31 LEU N N 31 124.171 124.171 117.617 6.554 17889
958 1 11 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.841 0.529 17889
959 1 11 . 1 1 31 31 LEU H H 31 8.276 8.276 7.782 0.494 17889
960 1 11 . 1 1 32 32 THR N N 32 119.714 119.714 113.209 6.505 17889
961 1 11 . 1 1 32 32 THR HA H 32 4.378 4.378 4.475 -0.097 17889
962 1 11 . 1 1 32 32 THR H H 32 7.952 7.952 7.857 0.095 17889
963 1 11 . 1 1 33 33 GLU N N 33 121.732 121.732 121.140 0.592 17889
964 1 11 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.151 0.019 17889
965 1 11 . 1 1 33 33 GLU H H 33 7.865 7.865 8.948 -1.083 17889
966 1 11 . 1 1 34 34 ALA N N 34 127.078 127.078 126.395 0.683 17889
967 1 11 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.536 -0.036 17889
968 1 11 . 1 1 34 34 ALA H H 34 8.215 8.215 7.901 0.314 17889
969 1 12 . 1 1 2 2 HIS N N 2 121.309 121.309 118.818 2.491 17889
970 1 12 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.691 -0.038 17889
971 1 12 . 1 1 2 2 HIS H H 2 8.959 8.959 8.079 0.880 17889
972 1 12 . 1 1 3 3 LYS N N 3 123.963 123.963 118.143 5.820 17889
973 1 12 . 1 1 3 3 LYS HA H 3 4.195 4.195 3.845 0.350 17889
974 1 12 . 1 1 3 3 LYS H H 3 8.533 8.533 8.721 -0.188 17889
975 1 12 . 1 1 4 4 HIS N N 4 120.657 120.657 115.440 5.217 17889
976 1 12 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.651 -0.045 17889
977 1 12 . 1 1 4 4 HIS H H 4 8.690 8.690 8.083 0.607 17889
978 1 12 . 1 1 5 5 SER N N 5 117.522 117.522 114.492 3.030 17889
979 1 12 . 1 1 5 5 SER HA H 5 4.347 4.347 4.097 0.250 17889
980 1 12 . 1 1 5 5 SER H H 5 8.375 8.375 8.994 -0.619 17889
981 1 12 . 1 1 6 6 ASP N N 6 122.035 122.035 118.370 3.665 17889
982 1 12 . 1 1 6 6 ASP HA H 6 4.569 4.569 5.244 -0.675 17889
983 1 12 . 1 1 6 6 ASP H H 6 8.405 8.405 8.367 0.038 17889
984 1 12 . 1 1 7 7 GLU N N 7 120.246 120.246 119.312 0.934 17889
985 1 12 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.325 -0.052 17889
986 1 12 . 1 1 7 7 GLU H H 7 8.237 8.237 8.421 -0.184 17889
987 1 12 . 1 1 8 8 SER N N 8 117.720 117.720 115.314 2.406 17889
988 1 12 . 1 1 8 8 SER HA H 8 4.398 4.398 4.411 -0.013 17889
989 1 12 . 1 1 8 8 SER H H 8 8.193 8.193 8.584 -0.391 17889
990 1 12 . 1 1 9 9 THR N N 9 115.050 115.050 109.665 5.385 17889
991 1 12 . 1 1 9 9 THR HA H 9 4.226 4.226 4.331 -0.105 17889
992 1 12 . 1 1 9 9 THR H H 9 8.051 8.051 7.613 0.438 17889
993 1 12 . 1 1 10 10 SER N N 10 116.587 116.587 114.346 2.241 17889
994 1 12 . 1 1 10 10 SER HA H 10 4.341 4.341 4.766 -0.425 17889
995 1 12 . 1 1 10 10 SER H H 10 8.276 8.276 7.821 0.455 17889
996 1 12 . 1 1 14 14 GLU N N 14 121.529 121.529 121.165 0.364 17889
997 1 12 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.162 0.028 17889
998 1 12 . 1 1 14 14 GLU H H 14 8.117 8.117 8.721 -0.604 17889
999 1 12 . 1 1 15 15 SER N N 15 116.705 116.705 113.311 3.394 17889
1000 1 12 . 1 1 15 15 SER HA H 15 4.331 4.331 4.184 0.147 17889
1001 1 12 . 1 1 15 15 SER H H 15 8.114 8.114 7.953 0.161 17889
1002 1 12 . 1 1 16 16 ILE N N 16 122.303 122.303 121.509 0.794 17889
1003 1 12 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.320 -0.259 17889
1004 1 12 . 1 1 16 16 ILE H H 16 7.981 7.981 8.602 -0.621 17889
1005 1 12 . 1 1 17 17 ALA N N 17 127.099 127.099 123.000 4.099 17889
1006 1 12 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.498 -0.315 17889
1007 1 12 . 1 1 17 17 ALA H H 17 8.161 8.161 8.202 -0.041 17889
1008 1 12 . 1 1 18 18 ASP N N 18 118.740 118.740 115.967 2.773 17889
1009 1 12 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.912 -0.397 17889
1010 1 12 . 1 1 18 18 ASP H H 18 8.134 8.134 8.561 -0.427 17889
1011 1 12 . 1 1 19 19 ASN N N 19 118.913 118.913 115.344 3.569 17889
1012 1 12 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.677 -0.112 17889
1013 1 12 . 1 1 19 19 ASN H H 19 8.189 8.189 8.346 -0.157 17889
1014 1 12 . 1 1 20 20 ASN N N 20 118.703 118.703 119.386 -0.683 17889
1015 1 12 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.889 -0.296 17889
1016 1 12 . 1 1 20 20 ASN H H 20 8.290 8.290 8.164 0.126 17889
1017 1 12 . 1 1 21 21 ASP N N 21 119.859 119.859 118.535 1.324 17889
1018 1 12 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.627 -0.079 17889
1019 1 12 . 1 1 21 21 ASP H H 21 8.206 8.206 8.804 -0.598 17889
1020 1 12 . 1 1 22 22 ASP N N 22 120.431 120.431 117.475 2.956 17889
1021 1 12 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.695 -0.145 17889
1022 1 12 . 1 1 22 22 ASP H H 22 8.294 8.294 8.564 -0.270 17889
1023 1 12 . 1 1 23 23 SER N N 23 115.864 115.864 113.551 2.313 17889
1024 1 12 . 1 1 23 23 SER HA H 23 4.213 4.213 4.696 -0.483 17889
1025 1 12 . 1 1 23 23 SER H H 23 8.186 8.186 8.051 0.135 17889
1026 1 12 . 1 1 24 24 TYR N N 24 121.678 121.678 117.437 4.241 17889
1027 1 12 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.785 -0.515 17889
1028 1 12 . 1 1 24 24 TYR H H 24 7.955 7.955 8.170 -0.215 17889
1029 1 12 . 1 1 25 25 PHE N N 25 119.567 119.567 119.810 -0.243 17889
1030 1 12 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.834 0.532 17889
1031 1 12 . 1 1 25 25 PHE H H 25 7.776 7.776 7.575 0.201 17889
1032 1 12 . 1 1 26 26 GLN N N 26 120.553 120.553 112.311 8.242 17889
1033 1 12 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.459 -0.327 17889
1034 1 12 . 1 1 26 26 GLN H H 26 7.928 7.928 7.542 0.386 17889
1035 1 12 . 1 1 27 27 ARG N N 27 121.580 121.580 122.286 -0.706 17889
1036 1 12 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.526 -0.343 17889
1037 1 12 . 1 1 27 27 ARG H H 27 8.027 8.027 8.383 -0.356 17889
1038 1 12 . 1 1 28 28 LYS N N 28 123.672 123.672 122.119 1.553 17889
1039 1 12 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.745 -0.274 17889
1040 1 12 . 1 1 28 28 LYS H H 28 8.158 8.158 7.558 0.600 17889
1041 1 12 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.370 -0.072 17889
1042 1 12 . 1 1 30 30 LYS N N 30 121.864 121.864 118.489 3.375 17889
1043 1 12 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.475 -0.280 17889
1044 1 12 . 1 1 30 30 LYS H H 30 8.307 8.307 7.921 0.386 17889
1045 1 12 . 1 1 31 31 LEU N N 31 124.171 124.171 119.754 4.417 17889
1046 1 12 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.454 -0.084 17889
1047 1 12 . 1 1 31 31 LEU H H 31 8.276 8.276 8.172 0.104 17889
1048 1 12 . 1 1 32 32 THR N N 32 119.714 119.714 113.859 5.855 17889
1049 1 12 . 1 1 32 32 THR HA H 32 4.378 4.378 4.191 0.187 17889
1050 1 12 . 1 1 32 32 THR H H 32 7.952 7.952 8.290 -0.338 17889
1051 1 12 . 1 1 33 33 GLU N N 33 121.732 121.732 119.371 2.361 17889
1052 1 12 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.987 0.183 17889
1053 1 12 . 1 1 33 33 GLU H H 33 7.865 7.865 8.422 -0.557 17889
1054 1 12 . 1 1 34 34 ALA N N 34 127.078 127.078 124.609 2.469 17889
1055 1 12 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.583 -0.083 17889
1056 1 12 . 1 1 34 34 ALA H H 34 8.215 8.215 7.847 0.368 17889
1057 1 13 . 1 1 2 2 HIS N N 2 121.309 121.309 120.252 1.057 17889
1058 1 13 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.496 0.157 17889
1059 1 13 . 1 1 2 2 HIS H H 2 8.959 8.959 8.118 0.841 17889
1060 1 13 . 1 1 3 3 LYS N N 3 123.963 123.963 120.833 3.130 17889
1061 1 13 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.115 0.080 17889
1062 1 13 . 1 1 3 3 LYS H H 3 8.533 8.533 8.396 0.137 17889
1063 1 13 . 1 1 4 4 HIS N N 4 120.657 120.657 121.400 -0.743 17889
1064 1 13 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.596 0.010 17889
1065 1 13 . 1 1 4 4 HIS H H 4 8.690 8.690 8.628 0.062 17889
1066 1 13 . 1 1 5 5 SER N N 5 117.522 117.522 114.587 2.935 17889
1067 1 13 . 1 1 5 5 SER HA H 5 4.347 4.347 4.367 -0.020 17889
1068 1 13 . 1 1 5 5 SER H H 5 8.375 8.375 8.190 0.185 17889
1069 1 13 . 1 1 6 6 ASP N N 6 122.035 122.035 122.790 -0.755 17889
1070 1 13 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.869 -0.300 17889
1071 1 13 . 1 1 6 6 ASP H H 6 8.405 8.405 8.579 -0.174 17889
1072 1 13 . 1 1 7 7 GLU N N 7 120.246 120.246 123.608 -3.362 17889
1073 1 13 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.357 -0.084 17889
1074 1 13 . 1 1 7 7 GLU H H 7 8.237 8.237 8.519 -0.282 17889
1075 1 13 . 1 1 8 8 SER N N 8 117.720 117.720 115.662 2.058 17889
1076 1 13 . 1 1 8 8 SER HA H 8 4.398 4.398 4.564 -0.166 17889
1077 1 13 . 1 1 8 8 SER H H 8 8.193 8.193 8.380 -0.187 17889
1078 1 13 . 1 1 9 9 THR N N 9 115.050 115.050 109.807 5.243 17889
1079 1 13 . 1 1 9 9 THR HA H 9 4.226 4.226 4.007 0.219 17889
1080 1 13 . 1 1 9 9 THR H H 9 8.051 8.051 8.122 -0.071 17889
1081 1 13 . 1 1 10 10 SER N N 10 116.587 116.587 113.817 2.770 17889
1082 1 13 . 1 1 10 10 SER HA H 10 4.341 4.341 4.627 -0.286 17889
1083 1 13 . 1 1 10 10 SER H H 10 8.276 8.276 7.978 0.298 17889
1084 1 13 . 1 1 14 14 GLU N N 14 121.529 121.529 123.263 -1.734 17889
1085 1 13 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.470 -0.280 17889
1086 1 13 . 1 1 14 14 GLU H H 14 8.117 8.117 9.022 -0.905 17889
1087 1 13 . 1 1 15 15 SER N N 15 116.705 116.705 113.891 2.814 17889
1088 1 13 . 1 1 15 15 SER HA H 15 4.331 4.331 4.925 -0.594 17889
1089 1 13 . 1 1 15 15 SER H H 15 8.114 8.114 8.028 0.086 17889
1090 1 13 . 1 1 16 16 ILE N N 16 122.303 122.303 120.429 1.874 17889
1091 1 13 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.212 -0.151 17889
1092 1 13 . 1 1 16 16 ILE H H 16 7.981 7.981 8.616 -0.635 17889
1093 1 13 . 1 1 17 17 ALA N N 17 127.099 127.099 122.777 4.322 17889
1094 1 13 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.143 0.040 17889
1095 1 13 . 1 1 17 17 ALA H H 17 8.161 8.161 7.200 0.961 17889
1096 1 13 . 1 1 18 18 ASP N N 18 118.740 118.740 117.768 0.972 17889
1097 1 13 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.135 0.380 17889
1098 1 13 . 1 1 18 18 ASP H H 18 8.134 8.134 8.957 -0.823 17889
1099 1 13 . 1 1 19 19 ASN N N 19 118.913 118.913 112.090 6.823 17889
1100 1 13 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.710 -0.145 17889
1101 1 13 . 1 1 19 19 ASN H H 19 8.189 8.189 8.238 -0.049 17889
1102 1 13 . 1 1 20 20 ASN N N 20 118.703 118.703 118.301 0.402 17889
1103 1 13 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.769 -0.176 17889
1104 1 13 . 1 1 20 20 ASN H H 20 8.290 8.290 8.171 0.119 17889
1105 1 13 . 1 1 21 21 ASP N N 21 119.859 119.859 120.359 -0.500 17889
1106 1 13 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.380 0.168 17889
1107 1 13 . 1 1 21 21 ASP H H 21 8.206 8.206 8.779 -0.573 17889
1108 1 13 . 1 1 22 22 ASP N N 22 120.431 120.431 117.821 2.610 17889
1109 1 13 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.624 -0.074 17889
1110 1 13 . 1 1 22 22 ASP H H 22 8.294 8.294 8.604 -0.310 17889
1111 1 13 . 1 1 23 23 SER N N 23 115.864 115.864 113.875 1.989 17889
1112 1 13 . 1 1 23 23 SER HA H 23 4.213 4.213 4.647 -0.434 17889
1113 1 13 . 1 1 23 23 SER H H 23 8.186 8.186 8.106 0.080 17889
1114 1 13 . 1 1 24 24 TYR N N 24 121.678 121.678 120.079 1.599 17889
1115 1 13 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.766 -0.496 17889
1116 1 13 . 1 1 24 24 TYR H H 24 7.955 7.955 7.965 -0.010 17889
1117 1 13 . 1 1 25 25 PHE N N 25 119.567 119.567 120.539 -0.972 17889
1118 1 13 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.936 0.430 17889
1119 1 13 . 1 1 25 25 PHE H H 25 7.776 7.776 7.412 0.364 17889
1120 1 13 . 1 1 26 26 GLN N N 26 120.553 120.553 114.947 5.606 17889
1121 1 13 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.350 -0.218 17889
1122 1 13 . 1 1 26 26 GLN H H 26 7.928 7.928 8.090 -0.162 17889
1123 1 13 . 1 1 27 27 ARG N N 27 121.580 121.580 118.929 2.651 17889
1124 1 13 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.163 0.020 17889
1125 1 13 . 1 1 27 27 ARG H H 27 8.027 8.027 7.878 0.149 17889
1126 1 13 . 1 1 28 28 LYS N N 28 123.672 123.672 126.633 -2.961 17889
1127 1 13 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.737 -0.266 17889
1128 1 13 . 1 1 28 28 LYS H H 28 8.158 8.158 8.091 0.067 17889
1129 1 13 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.263 0.035 17889
1130 1 13 . 1 1 30 30 LYS N N 30 121.864 121.864 117.362 4.502 17889
1131 1 13 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.459 -0.264 17889
1132 1 13 . 1 1 30 30 LYS H H 30 8.307 8.307 7.883 0.424 17889
1133 1 13 . 1 1 31 31 LEU N N 31 124.171 124.171 120.679 3.492 17889
1134 1 13 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.266 0.104 17889
1135 1 13 . 1 1 31 31 LEU H H 31 8.276 8.276 8.268 0.008 17889
1136 1 13 . 1 1 32 32 THR N N 32 119.714 119.714 111.432 8.282 17889
1137 1 13 . 1 1 32 32 THR HA H 32 4.378 4.378 4.422 -0.044 17889
1138 1 13 . 1 1 32 32 THR H H 32 7.952 7.952 8.062 -0.110 17889
1139 1 13 . 1 1 33 33 GLU N N 33 121.732 121.732 123.136 -1.404 17889
1140 1 13 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.889 0.281 17889
1141 1 13 . 1 1 33 33 GLU H H 33 7.865 7.865 9.030 -1.165 17889
1142 1 13 . 1 1 34 34 ALA N N 34 127.078 127.078 120.871 6.207 17889
1143 1 13 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.155 0.345 17889
1144 1 13 . 1 1 34 34 ALA H H 34 8.215 8.215 7.786 0.429 17889
1145 1 14 . 1 1 2 2 HIS N N 2 121.309 121.309 120.199 1.110 17889
1146 1 14 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.642 0.011 17889
1147 1 14 . 1 1 2 2 HIS H H 2 8.959 8.959 8.563 0.396 17889
1148 1 14 . 1 1 3 3 LYS N N 3 123.963 123.963 122.874 1.089 17889
1149 1 14 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.299 -0.104 17889
1150 1 14 . 1 1 3 3 LYS H H 3 8.533 8.533 8.159 0.374 17889
1151 1 14 . 1 1 4 4 HIS N N 4 120.657 120.657 115.711 4.946 17889
1152 1 14 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.262 0.344 17889
1153 1 14 . 1 1 4 4 HIS H H 4 8.690 8.690 8.269 0.421 17889
1154 1 14 . 1 1 5 5 SER N N 5 117.522 117.522 112.271 5.251 17889
1155 1 14 . 1 1 5 5 SER HA H 5 4.347 4.347 4.568 -0.221 17889
1156 1 14 . 1 1 5 5 SER H H 5 8.375 8.375 7.850 0.525 17889
1157 1 14 . 1 1 6 6 ASP N N 6 122.035 122.035 120.902 1.133 17889
1158 1 14 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.442 0.127 17889
1159 1 14 . 1 1 6 6 ASP H H 6 8.405 8.405 8.550 -0.145 17889
1160 1 14 . 1 1 7 7 GLU N N 7 120.246 120.246 118.420 1.826 17889
1161 1 14 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.316 -0.043 17889
1162 1 14 . 1 1 7 7 GLU H H 7 8.237 8.237 8.131 0.106 17889
1163 1 14 . 1 1 8 8 SER N N 8 117.720 117.720 114.914 2.806 17889
1164 1 14 . 1 1 8 8 SER HA H 8 4.398 4.398 4.671 -0.273 17889
1165 1 14 . 1 1 8 8 SER H H 8 8.193 8.193 8.351 -0.158 17889
1166 1 14 . 1 1 9 9 THR N N 9 115.050 115.050 118.488 -3.438 17889
1167 1 14 . 1 1 9 9 THR HA H 9 4.226 4.226 4.095 0.131 17889
1168 1 14 . 1 1 9 9 THR H H 9 8.051 8.051 7.798 0.253 17889
1169 1 14 . 1 1 10 10 SER N N 10 116.587 116.587 114.709 1.878 17889
1170 1 14 . 1 1 10 10 SER HA H 10 4.341 4.341 3.856 0.485 17889
1171 1 14 . 1 1 10 10 SER H H 10 8.276 8.276 8.781 -0.505 17889
1172 1 14 . 1 1 14 14 GLU N N 14 121.529 121.529 120.469 1.060 17889
1173 1 14 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.940 0.250 17889
1174 1 14 . 1 1 14 14 GLU H H 14 8.117 8.117 8.370 -0.253 17889
1175 1 14 . 1 1 15 15 SER N N 15 116.705 116.705 112.547 4.158 17889
1176 1 14 . 1 1 15 15 SER HA H 15 4.331 4.331 4.451 -0.120 17889
1177 1 14 . 1 1 15 15 SER H H 15 8.114 8.114 7.222 0.892 17889
1178 1 14 . 1 1 16 16 ILE N N 16 122.303 122.303 122.103 0.200 17889
1179 1 14 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.797 0.264 17889
1180 1 14 . 1 1 16 16 ILE H H 16 7.981 7.981 8.390 -0.409 17889
1181 1 14 . 1 1 17 17 ALA N N 17 127.099 127.099 122.400 4.699 17889
1182 1 14 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.123 0.060 17889
1183 1 14 . 1 1 17 17 ALA H H 17 8.161 8.161 7.684 0.477 17889
1184 1 14 . 1 1 18 18 ASP N N 18 118.740 118.740 115.157 3.583 17889
1185 1 14 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.222 0.293 17889
1186 1 14 . 1 1 18 18 ASP H H 18 8.134 8.134 8.971 -0.837 17889
1187 1 14 . 1 1 19 19 ASN N N 19 118.913 118.913 111.067 7.846 17889
1188 1 14 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.721 -0.156 17889
1189 1 14 . 1 1 19 19 ASN H H 19 8.189 8.189 8.107 0.082 17889
1190 1 14 . 1 1 20 20 ASN N N 20 118.703 118.703 118.102 0.601 17889
1191 1 14 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.961 -0.368 17889
1192 1 14 . 1 1 20 20 ASN H H 20 8.290 8.290 8.117 0.173 17889
1193 1 14 . 1 1 21 21 ASP N N 21 119.859 119.859 120.994 -1.135 17889
1194 1 14 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.747 -0.199 17889
1195 1 14 . 1 1 21 21 ASP H H 21 8.206 8.206 8.830 -0.624 17889
1196 1 14 . 1 1 22 22 ASP N N 22 120.431 120.431 117.328 3.103 17889
1197 1 14 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.529 0.021 17889
1198 1 14 . 1 1 22 22 ASP H H 22 8.294 8.294 8.516 -0.222 17889
1199 1 14 . 1 1 23 23 SER N N 23 115.864 115.864 109.616 6.248 17889
1200 1 14 . 1 1 23 23 SER HA H 23 4.213 4.213 4.679 -0.466 17889
1201 1 14 . 1 1 23 23 SER H H 23 8.186 8.186 8.121 0.065 17889
1202 1 14 . 1 1 24 24 TYR N N 24 121.678 121.678 122.198 -0.520 17889
1203 1 14 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.639 -0.369 17889
1204 1 14 . 1 1 24 24 TYR H H 24 7.955 7.955 7.844 0.111 17889
1205 1 14 . 1 1 25 25 PHE N N 25 119.567 119.567 118.755 0.812 17889
1206 1 14 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.556 -0.190 17889
1207 1 14 . 1 1 25 25 PHE H H 25 7.776 7.776 7.846 -0.070 17889
1208 1 14 . 1 1 26 26 GLN N N 26 120.553 120.553 117.328 3.225 17889
1209 1 14 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.107 0.025 17889
1210 1 14 . 1 1 26 26 GLN H H 26 7.928 7.928 7.805 0.123 17889
1211 1 14 . 1 1 27 27 ARG N N 27 121.580 121.580 119.150 2.430 17889
1212 1 14 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.007 0.176 17889
1213 1 14 . 1 1 27 27 ARG H H 27 8.027 8.027 8.274 -0.247 17889
1214 1 14 . 1 1 28 28 LYS N N 28 123.672 123.672 126.359 -2.687 17889
1215 1 14 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.750 -0.279 17889
1216 1 14 . 1 1 28 28 LYS H H 28 8.158 8.158 8.490 -0.332 17889
1217 1 14 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.342 -0.044 17889
1218 1 14 . 1 1 30 30 LYS N N 30 121.864 121.864 118.523 3.341 17889
1219 1 14 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.262 -0.067 17889
1220 1 14 . 1 1 30 30 LYS H H 30 8.307 8.307 8.286 0.021 17889
1221 1 14 . 1 1 31 31 LEU N N 31 124.171 124.171 124.028 0.143 17889
1222 1 14 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.584 -0.214 17889
1223 1 14 . 1 1 31 31 LEU H H 31 8.276 8.276 8.447 -0.171 17889
1224 1 14 . 1 1 32 32 THR N N 32 119.714 119.714 110.978 8.736 17889
1225 1 14 . 1 1 32 32 THR HA H 32 4.378 4.378 4.384 -0.006 17889
1226 1 14 . 1 1 32 32 THR H H 32 7.952 7.952 8.035 -0.083 17889
1227 1 14 . 1 1 33 33 GLU N N 33 121.732 121.732 120.124 1.608 17889
1228 1 14 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.301 -0.131 17889
1229 1 14 . 1 1 33 33 GLU H H 33 7.865 7.865 8.311 -0.446 17889
1230 1 14 . 1 1 34 34 ALA N N 34 127.078 127.078 122.811 4.267 17889
1231 1 14 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.709 -0.209 17889
1232 1 14 . 1 1 34 34 ALA H H 34 8.215 8.215 7.503 0.712 17889
1233 1 15 . 1 1 2 2 HIS N N 2 121.309 121.309 121.079 0.230 17889
1234 1 15 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.722 -0.069 17889
1235 1 15 . 1 1 2 2 HIS H H 2 8.959 8.959 8.321 0.638 17889
1236 1 15 . 1 1 3 3 LYS N N 3 123.963 123.963 124.664 -0.701 17889
1237 1 15 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.340 -0.145 17889
1238 1 15 . 1 1 3 3 LYS H H 3 8.533 8.533 8.528 0.005 17889
1239 1 15 . 1 1 4 4 HIS N N 4 120.657 120.657 118.188 2.469 17889
1240 1 15 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.564 0.042 17889
1241 1 15 . 1 1 4 4 HIS H H 4 8.690 8.690 7.610 1.080 17889
1242 1 15 . 1 1 5 5 SER N N 5 117.522 117.522 120.012 -2.490 17889
1243 1 15 . 1 1 5 5 SER HA H 5 4.347 4.347 4.508 -0.161 17889
1244 1 15 . 1 1 5 5 SER H H 5 8.375 8.375 8.265 0.110 17889
1245 1 15 . 1 1 6 6 ASP N N 6 122.035 122.035 118.931 3.104 17889
1246 1 15 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.626 -0.057 17889
1247 1 15 . 1 1 6 6 ASP H H 6 8.405 8.405 7.900 0.505 17889
1248 1 15 . 1 1 7 7 GLU N N 7 120.246 120.246 118.964 1.282 17889
1249 1 15 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.336 -0.063 17889
1250 1 15 . 1 1 7 7 GLU H H 7 8.237 8.237 8.454 -0.217 17889
1251 1 15 . 1 1 8 8 SER N N 8 117.720 117.720 114.924 2.796 17889
1252 1 15 . 1 1 8 8 SER HA H 8 4.398 4.398 4.627 -0.229 17889
1253 1 15 . 1 1 8 8 SER H H 8 8.193 8.193 8.579 -0.386 17889
1254 1 15 . 1 1 9 9 THR N N 9 115.050 115.050 113.364 1.686 17889
1255 1 15 . 1 1 9 9 THR HA H 9 4.226 4.226 3.943 0.283 17889
1256 1 15 . 1 1 9 9 THR H H 9 8.051 8.051 8.460 -0.409 17889
1257 1 15 . 1 1 10 10 SER N N 10 116.587 116.587 112.096 4.491 17889
1258 1 15 . 1 1 10 10 SER HA H 10 4.341 4.341 4.469 -0.128 17889
1259 1 15 . 1 1 10 10 SER H H 10 8.276 8.276 7.759 0.517 17889
1260 1 15 . 1 1 14 14 GLU N N 14 121.529 121.529 122.850 -1.321 17889
1261 1 15 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.323 -0.133 17889
1262 1 15 . 1 1 14 14 GLU H H 14 8.117 8.117 8.381 -0.264 17889
1263 1 15 . 1 1 15 15 SER N N 15 116.705 116.705 116.240 0.465 17889
1264 1 15 . 1 1 15 15 SER HA H 15 4.331 4.331 4.377 -0.046 17889
1265 1 15 . 1 1 15 15 SER H H 15 8.114 8.114 8.059 0.055 17889
1266 1 15 . 1 1 16 16 ILE N N 16 122.303 122.303 123.597 -1.294 17889
1267 1 15 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.216 -0.155 17889
1268 1 15 . 1 1 16 16 ILE H H 16 7.981 7.981 8.843 -0.862 17889
1269 1 15 . 1 1 17 17 ALA N N 17 127.099 127.099 123.768 3.331 17889
1270 1 15 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.432 -0.249 17889
1271 1 15 . 1 1 17 17 ALA H H 17 8.161 8.161 7.597 0.564 17889
1272 1 15 . 1 1 18 18 ASP N N 18 118.740 118.740 117.932 0.808 17889
1273 1 15 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.892 -0.377 17889
1274 1 15 . 1 1 18 18 ASP H H 18 8.134 8.134 8.607 -0.473 17889
1275 1 15 . 1 1 19 19 ASN N N 19 118.913 118.913 118.182 0.731 17889
1276 1 15 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.710 -0.145 17889
1277 1 15 . 1 1 19 19 ASN H H 19 8.189 8.189 8.184 0.005 17889
1278 1 15 . 1 1 20 20 ASN N N 20 118.703 118.703 117.771 0.932 17889
1279 1 15 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.750 -0.157 17889
1280 1 15 . 1 1 20 20 ASN H H 20 8.290 8.290 8.272 0.018 17889
1281 1 15 . 1 1 21 21 ASP N N 21 119.859 119.859 118.124 1.735 17889
1282 1 15 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.648 -0.100 17889
1283 1 15 . 1 1 21 21 ASP H H 21 8.206 8.206 8.933 -0.727 17889
1284 1 15 . 1 1 22 22 ASP N N 22 120.431 120.431 117.473 2.958 17889
1285 1 15 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.414 0.136 17889
1286 1 15 . 1 1 22 22 ASP H H 22 8.294 8.294 8.538 -0.244 17889
1287 1 15 . 1 1 23 23 SER N N 23 115.864 115.864 112.434 3.430 17889
1288 1 15 . 1 1 23 23 SER HA H 23 4.213 4.213 4.625 -0.412 17889
1289 1 15 . 1 1 23 23 SER H H 23 8.186 8.186 7.928 0.258 17889
1290 1 15 . 1 1 24 24 TYR N N 24 121.678 121.678 123.803 -2.125 17889
1291 1 15 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.252 0.018 17889
1292 1 15 . 1 1 24 24 TYR H H 24 7.955 7.955 8.632 -0.677 17889
1293 1 15 . 1 1 25 25 PHE N N 25 119.567 119.567 114.819 4.748 17889
1294 1 15 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.482 -0.116 17889
1295 1 15 . 1 1 25 25 PHE H H 25 7.776 7.776 7.402 0.374 17889
1296 1 15 . 1 1 26 26 GLN N N 26 120.553 120.553 118.353 2.200 17889
1297 1 15 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.835 0.297 17889
1298 1 15 . 1 1 26 26 GLN H H 26 7.928 7.928 8.199 -0.271 17889
1299 1 15 . 1 1 27 27 ARG N N 27 121.580 121.580 116.250 5.330 17889
1300 1 15 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.104 0.079 17889
1301 1 15 . 1 1 27 27 ARG H H 27 8.027 8.027 8.141 -0.114 17889
1302 1 15 . 1 1 28 28 LYS N N 28 123.672 123.672 123.235 0.437 17889
1303 1 15 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.704 -0.233 17889
1304 1 15 . 1 1 28 28 LYS H H 28 8.158 8.158 8.130 0.028 17889
1305 1 15 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.511 -0.213 17889
1306 1 15 . 1 1 30 30 LYS N N 30 121.864 121.864 116.313 5.551 17889
1307 1 15 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.146 0.049 17889
1308 1 15 . 1 1 30 30 LYS H H 30 8.307 8.307 8.128 0.179 17889
1309 1 15 . 1 1 31 31 LEU N N 31 124.171 124.171 120.660 3.511 17889
1310 1 15 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.447 -0.077 17889
1311 1 15 . 1 1 31 31 LEU H H 31 8.276 8.276 8.058 0.218 17889
1312 1 15 . 1 1 32 32 THR N N 32 119.714 119.714 112.519 7.195 17889
1313 1 15 . 1 1 32 32 THR HA H 32 4.378 4.378 4.318 0.060 17889
1314 1 15 . 1 1 32 32 THR H H 32 7.952 7.952 8.268 -0.316 17889
1315 1 15 . 1 1 33 33 GLU N N 33 121.732 121.732 120.629 1.103 17889
1316 1 15 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.316 -0.146 17889
1317 1 15 . 1 1 33 33 GLU H H 33 7.865 7.865 8.207 -0.342 17889
1318 1 15 . 1 1 34 34 ALA N N 34 127.078 127.078 124.960 2.118 17889
1319 1 15 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.470 0.030 17889
1320 1 15 . 1 1 34 34 ALA H H 34 8.215 8.215 7.784 0.431 17889
1321 1 16 . 1 1 2 2 HIS N N 2 121.309 121.309 119.161 2.148 17889
1322 1 16 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.369 0.284 17889
1323 1 16 . 1 1 2 2 HIS H H 2 8.959 8.959 8.236 0.723 17889
1324 1 16 . 1 1 3 3 LYS N N 3 123.963 123.963 120.879 3.084 17889
1325 1 16 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.668 -0.473 17889
1326 1 16 . 1 1 3 3 LYS H H 3 8.533 8.533 8.258 0.275 17889
1327 1 16 . 1 1 4 4 HIS N N 4 120.657 120.657 119.926 0.731 17889
1328 1 16 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.535 0.071 17889
1329 1 16 . 1 1 4 4 HIS H H 4 8.690 8.690 8.748 -0.058 17889
1330 1 16 . 1 1 5 5 SER N N 5 117.522 117.522 112.595 4.927 17889
1331 1 16 . 1 1 5 5 SER HA H 5 4.347 4.347 4.388 -0.041 17889
1332 1 16 . 1 1 5 5 SER H H 5 8.375 8.375 8.312 0.063 17889
1333 1 16 . 1 1 6 6 ASP N N 6 122.035 122.035 120.859 1.176 17889
1334 1 16 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.811 -0.242 17889
1335 1 16 . 1 1 6 6 ASP H H 6 8.405 8.405 8.209 0.196 17889
1336 1 16 . 1 1 7 7 GLU N N 7 120.246 120.246 119.378 0.868 17889
1337 1 16 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.264 0.009 17889
1338 1 16 . 1 1 7 7 GLU H H 7 8.237 8.237 8.758 -0.521 17889
1339 1 16 . 1 1 8 8 SER N N 8 117.720 117.720 114.861 2.859 17889
1340 1 16 . 1 1 8 8 SER HA H 8 4.398 4.398 4.583 -0.185 17889
1341 1 16 . 1 1 8 8 SER H H 8 8.193 8.193 8.315 -0.122 17889
1342 1 16 . 1 1 9 9 THR N N 9 115.050 115.050 114.764 0.286 17889
1343 1 16 . 1 1 9 9 THR HA H 9 4.226 4.226 4.024 0.202 17889
1344 1 16 . 1 1 9 9 THR H H 9 8.051 8.051 8.433 -0.382 17889
1345 1 16 . 1 1 10 10 SER N N 10 116.587 116.587 113.551 3.036 17889
1346 1 16 . 1 1 10 10 SER HA H 10 4.341 4.341 4.539 -0.198 17889
1347 1 16 . 1 1 10 10 SER H H 10 8.276 8.276 7.563 0.713 17889
1348 1 16 . 1 1 14 14 GLU N N 14 121.529 121.529 120.905 0.624 17889
1349 1 16 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.170 0.020 17889
1350 1 16 . 1 1 14 14 GLU H H 14 8.117 8.117 8.895 -0.778 17889
1351 1 16 . 1 1 15 15 SER N N 15 116.705 116.705 113.482 3.223 17889
1352 1 16 . 1 1 15 15 SER HA H 15 4.331 4.331 4.571 -0.240 17889
1353 1 16 . 1 1 15 15 SER H H 15 8.114 8.114 7.750 0.364 17889
1354 1 16 . 1 1 16 16 ILE N N 16 122.303 122.303 122.643 -0.340 17889
1355 1 16 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.949 0.112 17889
1356 1 16 . 1 1 16 16 ILE H H 16 7.981 7.981 8.683 -0.702 17889
1357 1 16 . 1 1 17 17 ALA N N 17 127.099 127.099 121.904 5.195 17889
1358 1 16 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.117 0.066 17889
1359 1 16 . 1 1 17 17 ALA H H 17 8.161 8.161 7.935 0.226 17889
1360 1 16 . 1 1 18 18 ASP N N 18 118.740 118.740 115.334 3.406 17889
1361 1 16 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.236 0.279 17889
1362 1 16 . 1 1 18 18 ASP H H 18 8.134 8.134 8.936 -0.802 17889
1363 1 16 . 1 1 19 19 ASN N N 19 118.913 118.913 111.924 6.989 17889
1364 1 16 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.737 -0.172 17889
1365 1 16 . 1 1 19 19 ASN H H 19 8.189 8.189 8.080 0.109 17889
1366 1 16 . 1 1 20 20 ASN N N 20 118.703 118.703 118.298 0.405 17889
1367 1 16 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.973 -0.380 17889
1368 1 16 . 1 1 20 20 ASN H H 20 8.290 8.290 8.150 0.140 17889
1369 1 16 . 1 1 21 21 ASP N N 21 119.859 119.859 119.543 0.316 17889
1370 1 16 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.712 -0.164 17889
1371 1 16 . 1 1 21 21 ASP H H 21 8.206 8.206 8.884 -0.678 17889
1372 1 16 . 1 1 22 22 ASP N N 22 120.431 120.431 116.566 3.865 17889
1373 1 16 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.533 0.017 17889
1374 1 16 . 1 1 22 22 ASP H H 22 8.294 8.294 8.531 -0.237 17889
1375 1 16 . 1 1 23 23 SER N N 23 115.864 115.864 110.795 5.069 17889
1376 1 16 . 1 1 23 23 SER HA H 23 4.213 4.213 4.539 -0.326 17889
1377 1 16 . 1 1 23 23 SER H H 23 8.186 8.186 7.832 0.354 17889
1378 1 16 . 1 1 24 24 TYR N N 24 121.678 121.678 123.865 -2.187 17889
1379 1 16 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.266 0.004 17889
1380 1 16 . 1 1 24 24 TYR H H 24 7.955 7.955 8.561 -0.606 17889
1381 1 16 . 1 1 25 25 PHE N N 25 119.567 119.567 117.820 1.747 17889
1382 1 16 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.387 -0.021 17889
1383 1 16 . 1 1 25 25 PHE H H 25 7.776 7.776 7.383 0.393 17889
1384 1 16 . 1 1 26 26 GLN N N 26 120.553 120.553 118.951 1.602 17889
1385 1 16 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.661 0.471 17889
1386 1 16 . 1 1 26 26 GLN H H 26 7.928 7.928 7.887 0.041 17889
1387 1 16 . 1 1 27 27 ARG N N 27 121.580 121.580 116.398 5.182 17889
1388 1 16 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.157 0.026 17889
1389 1 16 . 1 1 27 27 ARG H H 27 8.027 8.027 7.977 0.050 17889
1390 1 16 . 1 1 28 28 LYS N N 28 123.672 123.672 125.309 -1.637 17889
1391 1 16 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.736 -0.265 17889
1392 1 16 . 1 1 28 28 LYS H H 28 8.158 8.158 8.261 -0.103 17889
1393 1 16 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.494 -0.196 17889
1394 1 16 . 1 1 30 30 LYS N N 30 121.864 121.864 115.427 6.437 17889
1395 1 16 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.012 0.183 17889
1396 1 16 . 1 1 30 30 LYS H H 30 8.307 8.307 8.554 -0.247 17889
1397 1 16 . 1 1 31 31 LEU N N 31 124.171 124.171 116.836 7.335 17889
1398 1 16 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.850 0.520 17889
1399 1 16 . 1 1 31 31 LEU H H 31 8.276 8.276 7.537 0.739 17889
1400 1 16 . 1 1 32 32 THR N N 32 119.714 119.714 110.943 8.771 17889
1401 1 16 . 1 1 32 32 THR HA H 32 4.378 4.378 3.889 0.489 17889
1402 1 16 . 1 1 32 32 THR H H 32 7.952 7.952 8.451 -0.499 17889
1403 1 16 . 1 1 33 33 GLU N N 33 121.732 121.732 120.071 1.661 17889
1404 1 16 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.327 -0.157 17889
1405 1 16 . 1 1 33 33 GLU H H 33 7.865 7.865 8.494 -0.629 17889
1406 1 16 . 1 1 34 34 ALA N N 34 127.078 127.078 124.724 2.354 17889
1407 1 16 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.176 0.324 17889
1408 1 16 . 1 1 34 34 ALA H H 34 8.215 8.215 8.263 -0.048 17889
1409 1 17 . 1 1 2 2 HIS N N 2 121.309 121.309 117.167 4.142 17889
1410 1 17 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.452 0.201 17889
1411 1 17 . 1 1 2 2 HIS H H 2 8.959 8.959 8.043 0.916 17889
1412 1 17 . 1 1 3 3 LYS N N 3 123.963 123.963 119.454 4.509 17889
1413 1 17 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.273 -0.078 17889
1414 1 17 . 1 1 3 3 LYS H H 3 8.533 8.533 8.137 0.396 17889
1415 1 17 . 1 1 4 4 HIS N N 4 120.657 120.657 116.125 4.532 17889
1416 1 17 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.703 -0.097 17889
1417 1 17 . 1 1 4 4 HIS H H 4 8.690 8.690 8.215 0.475 17889
1418 1 17 . 1 1 5 5 SER N N 5 117.522 117.522 115.152 2.370 17889
1419 1 17 . 1 1 5 5 SER HA H 5 4.347 4.347 4.528 -0.181 17889
1420 1 17 . 1 1 5 5 SER H H 5 8.375 8.375 7.815 0.560 17889
1421 1 17 . 1 1 6 6 ASP N N 6 122.035 122.035 120.408 1.627 17889
1422 1 17 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.831 -0.262 17889
1423 1 17 . 1 1 6 6 ASP H H 6 8.405 8.405 7.755 0.650 17889
1424 1 17 . 1 1 7 7 GLU N N 7 120.246 120.246 123.996 -3.750 17889
1425 1 17 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.432 -0.159 17889
1426 1 17 . 1 1 7 7 GLU H H 7 8.237 8.237 8.481 -0.244 17889
1427 1 17 . 1 1 8 8 SER N N 8 117.720 117.720 116.054 1.666 17889
1428 1 17 . 1 1 8 8 SER HA H 8 4.398 4.398 4.709 -0.311 17889
1429 1 17 . 1 1 8 8 SER H H 8 8.193 8.193 8.495 -0.302 17889
1430 1 17 . 1 1 9 9 THR N N 9 115.050 115.050 117.324 -2.274 17889
1431 1 17 . 1 1 9 9 THR HA H 9 4.226 4.226 4.059 0.167 17889
1432 1 17 . 1 1 9 9 THR H H 9 8.051 8.051 7.974 0.077 17889
1433 1 17 . 1 1 10 10 SER N N 10 116.587 116.587 117.444 -0.857 17889
1434 1 17 . 1 1 10 10 SER HA H 10 4.341 4.341 4.056 0.285 17889
1435 1 17 . 1 1 10 10 SER H H 10 8.276 8.276 8.818 -0.542 17889
1436 1 17 . 1 1 14 14 GLU N N 14 121.529 121.529 120.565 0.964 17889
1437 1 17 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.107 0.083 17889
1438 1 17 . 1 1 14 14 GLU H H 14 8.117 8.117 8.813 -0.696 17889
1439 1 17 . 1 1 15 15 SER N N 15 116.705 116.705 112.376 4.329 17889
1440 1 17 . 1 1 15 15 SER HA H 15 4.331 4.331 4.376 -0.045 17889
1441 1 17 . 1 1 15 15 SER H H 15 8.114 8.114 7.849 0.265 17889
1442 1 17 . 1 1 16 16 ILE N N 16 122.303 122.303 122.276 0.027 17889
1443 1 17 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.326 -0.265 17889
1444 1 17 . 1 1 16 16 ILE H H 16 7.981 7.981 8.306 -0.325 17889
1445 1 17 . 1 1 17 17 ALA N N 17 127.099 127.099 122.851 4.248 17889
1446 1 17 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.541 -0.358 17889
1447 1 17 . 1 1 17 17 ALA H H 17 8.161 8.161 7.434 0.727 17889
1448 1 17 . 1 1 18 18 ASP N N 18 118.740 118.740 117.862 0.878 17889
1449 1 17 . 1 1 18 18 ASP HA H 18 4.515 4.515 5.037 -0.522 17889
1450 1 17 . 1 1 18 18 ASP H H 18 8.134 8.134 8.415 -0.281 17889
1451 1 17 . 1 1 19 19 ASN N N 19 118.913 118.913 113.858 5.055 17889
1452 1 17 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.767 -0.202 17889
1453 1 17 . 1 1 19 19 ASN H H 19 8.189 8.189 8.136 0.053 17889
1454 1 17 . 1 1 20 20 ASN N N 20 118.703 118.703 118.562 0.141 17889
1455 1 17 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.746 -0.153 17889
1456 1 17 . 1 1 20 20 ASN H H 20 8.290 8.290 8.164 0.126 17889
1457 1 17 . 1 1 21 21 ASP N N 21 119.859 119.859 117.913 1.946 17889
1458 1 17 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.510 0.038 17889
1459 1 17 . 1 1 21 21 ASP H H 21 8.206 8.206 8.202 0.004 17889
1460 1 17 . 1 1 22 22 ASP N N 22 120.431 120.431 119.358 1.073 17889
1461 1 17 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.578 -0.028 17889
1462 1 17 . 1 1 22 22 ASP H H 22 8.294 8.294 8.536 -0.242 17889
1463 1 17 . 1 1 23 23 SER N N 23 115.864 115.864 114.443 1.421 17889
1464 1 17 . 1 1 23 23 SER HA H 23 4.213 4.213 4.390 -0.177 17889
1465 1 17 . 1 1 23 23 SER H H 23 8.186 8.186 8.242 -0.056 17889
1466 1 17 . 1 1 24 24 TYR N N 24 121.678 121.678 114.531 7.147 17889
1467 1 17 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.768 -0.498 17889
1468 1 17 . 1 1 24 24 TYR H H 24 7.955 7.955 7.357 0.598 17889
1469 1 17 . 1 1 25 25 PHE N N 25 119.567 119.567 120.354 -0.787 17889
1470 1 17 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.390 -0.024 17889
1471 1 17 . 1 1 25 25 PHE H H 25 7.776 7.776 7.457 0.319 17889
1472 1 17 . 1 1 26 26 GLN N N 26 120.553 120.553 115.264 5.289 17889
1473 1 17 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.491 -0.359 17889
1474 1 17 . 1 1 26 26 GLN H H 26 7.928 7.928 7.962 -0.034 17889
1475 1 17 . 1 1 27 27 ARG N N 27 121.580 121.580 119.547 2.033 17889
1476 1 17 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.199 -0.016 17889
1477 1 17 . 1 1 27 27 ARG H H 27 8.027 8.027 7.880 0.147 17889
1478 1 17 . 1 1 28 28 LYS N N 28 123.672 123.672 125.799 -2.127 17889
1479 1 17 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.787 -0.316 17889
1480 1 17 . 1 1 28 28 LYS H H 28 8.158 8.158 8.017 0.141 17889
1481 1 17 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.279 0.019 17889
1482 1 17 . 1 1 30 30 LYS N N 30 121.864 121.864 114.466 7.398 17889
1483 1 17 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.371 -0.176 17889
1484 1 17 . 1 1 30 30 LYS H H 30 8.307 8.307 7.543 0.764 17889
1485 1 17 . 1 1 31 31 LEU N N 31 124.171 124.171 119.903 4.268 17889
1486 1 17 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.505 -0.135 17889
1487 1 17 . 1 1 31 31 LEU H H 31 8.276 8.276 8.329 -0.053 17889
1488 1 17 . 1 1 32 32 THR N N 32 119.714 119.714 117.848 1.866 17889
1489 1 17 . 1 1 32 32 THR HA H 32 4.378 4.378 4.441 -0.063 17889
1490 1 17 . 1 1 32 32 THR H H 32 7.952 7.952 7.688 0.264 17889
1491 1 17 . 1 1 33 33 GLU N N 33 121.732 121.732 124.978 -3.246 17889
1492 1 17 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.561 -0.391 17889
1493 1 17 . 1 1 33 33 GLU H H 33 7.865 7.865 8.503 -0.638 17889
1494 1 17 . 1 1 34 34 ALA N N 34 127.078 127.078 123.512 3.566 17889
1495 1 17 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.918 -0.418 17889
1496 1 17 . 1 1 34 34 ALA H H 34 8.215 8.215 8.461 -0.246 17889
1497 1 18 . 1 1 2 2 HIS N N 2 121.309 121.309 116.497 4.812 17889
1498 1 18 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.840 -0.187 17889
1499 1 18 . 1 1 2 2 HIS H H 2 8.959 8.959 8.040 0.919 17889
1500 1 18 . 1 1 3 3 LYS N N 3 123.963 123.963 120.222 3.741 17889
1501 1 18 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.354 -0.159 17889
1502 1 18 . 1 1 3 3 LYS H H 3 8.533 8.533 8.436 0.097 17889
1503 1 18 . 1 1 4 4 HIS N N 4 120.657 120.657 119.649 1.008 17889
1504 1 18 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.704 -0.098 17889
1505 1 18 . 1 1 4 4 HIS H H 4 8.690 8.690 7.918 0.772 17889
1506 1 18 . 1 1 5 5 SER N N 5 117.522 117.522 119.181 -1.659 17889
1507 1 18 . 1 1 5 5 SER HA H 5 4.347 4.347 4.603 -0.256 17889
1508 1 18 . 1 1 5 5 SER H H 5 8.375 8.375 8.486 -0.111 17889
1509 1 18 . 1 1 6 6 ASP N N 6 122.035 122.035 125.840 -3.805 17889
1510 1 18 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.727 -0.158 17889
1511 1 18 . 1 1 6 6 ASP H H 6 8.405 8.405 8.792 -0.387 17889
1512 1 18 . 1 1 7 7 GLU N N 7 120.246 120.246 120.034 0.212 17889
1513 1 18 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.364 -0.091 17889
1514 1 18 . 1 1 7 7 GLU H H 7 8.237 8.237 8.121 0.116 17889
1515 1 18 . 1 1 8 8 SER N N 8 117.720 117.720 118.517 -0.797 17889
1516 1 18 . 1 1 8 8 SER HA H 8 4.398 4.398 4.090 0.308 17889
1517 1 18 . 1 1 8 8 SER H H 8 8.193 8.193 8.804 -0.611 17889
1518 1 18 . 1 1 9 9 THR N N 9 115.050 115.050 113.107 1.943 17889
1519 1 18 . 1 1 9 9 THR HA H 9 4.226 4.226 3.984 0.242 17889
1520 1 18 . 1 1 9 9 THR H H 9 8.051 8.051 8.416 -0.365 17889
1521 1 18 . 1 1 10 10 SER N N 10 116.587 116.587 111.522 5.065 17889
1522 1 18 . 1 1 10 10 SER HA H 10 4.341 4.341 4.401 -0.060 17889
1523 1 18 . 1 1 10 10 SER H H 10 8.276 8.276 8.002 0.274 17889
1524 1 18 . 1 1 14 14 GLU N N 14 121.529 121.529 121.784 -0.255 17889
1525 1 18 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.083 0.107 17889
1526 1 18 . 1 1 14 14 GLU H H 14 8.117 8.117 8.461 -0.344 17889
1527 1 18 . 1 1 15 15 SER N N 15 116.705 116.705 114.247 2.458 17889
1528 1 18 . 1 1 15 15 SER HA H 15 4.331 4.331 4.402 -0.071 17889
1529 1 18 . 1 1 15 15 SER H H 15 8.114 8.114 7.993 0.121 17889
1530 1 18 . 1 1 16 16 ILE N N 16 122.303 122.303 122.214 0.089 17889
1531 1 18 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.080 -0.019 17889
1532 1 18 . 1 1 16 16 ILE H H 16 7.981 7.981 8.539 -0.558 17889
1533 1 18 . 1 1 17 17 ALA N N 17 127.099 127.099 122.217 4.882 17889
1534 1 18 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.555 -0.372 17889
1535 1 18 . 1 1 17 17 ALA H H 17 8.161 8.161 7.957 0.204 17889
1536 1 18 . 1 1 18 18 ASP N N 18 118.740 118.740 116.496 2.244 17889
1537 1 18 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.949 -0.434 17889
1538 1 18 . 1 1 18 18 ASP H H 18 8.134 8.134 8.414 -0.280 17889
1539 1 18 . 1 1 19 19 ASN N N 19 118.913 118.913 116.252 2.661 17889
1540 1 18 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.749 -0.184 17889
1541 1 18 . 1 1 19 19 ASN H H 19 8.189 8.189 8.300 -0.111 17889
1542 1 18 . 1 1 20 20 ASN N N 20 118.703 118.703 117.164 1.539 17889
1543 1 18 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.866 -0.273 17889
1544 1 18 . 1 1 20 20 ASN H H 20 8.290 8.290 8.162 0.128 17889
1545 1 18 . 1 1 21 21 ASP N N 21 119.859 119.859 120.164 -0.305 17889
1546 1 18 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.820 -0.272 17889
1547 1 18 . 1 1 21 21 ASP H H 21 8.206 8.206 8.848 -0.642 17889
1548 1 18 . 1 1 22 22 ASP N N 22 120.431 120.431 118.328 2.103 17889
1549 1 18 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.667 -0.117 17889
1550 1 18 . 1 1 22 22 ASP H H 22 8.294 8.294 8.717 -0.423 17889
1551 1 18 . 1 1 23 23 SER N N 23 115.864 115.864 115.194 0.670 17889
1552 1 18 . 1 1 23 23 SER HA H 23 4.213 4.213 4.708 -0.495 17889
1553 1 18 . 1 1 23 23 SER H H 23 8.186 8.186 8.181 0.005 17889
1554 1 18 . 1 1 24 24 TYR N N 24 121.678 121.678 120.462 1.216 17889
1555 1 18 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.726 -0.456 17889
1556 1 18 . 1 1 24 24 TYR H H 24 7.955 7.955 8.310 -0.355 17889
1557 1 18 . 1 1 25 25 PHE N N 25 119.567 119.567 118.680 0.887 17889
1558 1 18 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.484 -0.118 17889
1559 1 18 . 1 1 25 25 PHE H H 25 7.776 7.776 7.440 0.336 17889
1560 1 18 . 1 1 26 26 GLN N N 26 120.553 120.553 115.986 4.567 17889
1561 1 18 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.451 -0.319 17889
1562 1 18 . 1 1 26 26 GLN H H 26 7.928 7.928 7.776 0.152 17889
1563 1 18 . 1 1 27 27 ARG N N 27 121.580 121.580 115.872 5.708 17889
1564 1 18 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.173 0.010 17889
1565 1 18 . 1 1 27 27 ARG H H 27 8.027 8.027 8.379 -0.352 17889
1566 1 18 . 1 1 28 28 LYS N N 28 123.672 123.672 121.103 2.569 17889
1567 1 18 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.826 -0.355 17889
1568 1 18 . 1 1 28 28 LYS H H 28 8.158 8.158 8.199 -0.041 17889
1569 1 18 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.360 -0.062 17889
1570 1 18 . 1 1 30 30 LYS N N 30 121.864 121.864 118.334 3.530 17889
1571 1 18 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.423 -0.228 17889
1572 1 18 . 1 1 30 30 LYS H H 30 8.307 8.307 7.890 0.417 17889
1573 1 18 . 1 1 31 31 LEU N N 31 124.171 124.171 120.311 3.860 17889
1574 1 18 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.485 -0.115 17889
1575 1 18 . 1 1 31 31 LEU H H 31 8.276 8.276 8.530 -0.254 17889
1576 1 18 . 1 1 32 32 THR N N 32 119.714 119.714 112.538 7.176 17889
1577 1 18 . 1 1 32 32 THR HA H 32 4.378 4.378 4.495 -0.117 17889
1578 1 18 . 1 1 32 32 THR H H 32 7.952 7.952 7.572 0.380 17889
1579 1 18 . 1 1 33 33 GLU N N 33 121.732 121.732 122.587 -0.855 17889
1580 1 18 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.292 -0.122 17889
1581 1 18 . 1 1 33 33 GLU H H 33 7.865 7.865 8.614 -0.749 17889
1582 1 18 . 1 1 34 34 ALA N N 34 127.078 127.078 127.434 -0.356 17889
1583 1 18 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.652 -0.152 17889
1584 1 18 . 1 1 34 34 ALA H H 34 8.215 8.215 8.468 -0.253 17889
1585 1 19 . 1 1 2 2 HIS N N 2 121.309 121.309 119.817 1.492 17889
1586 1 19 . 1 1 2 2 HIS HA H 2 4.653 4.653 5.073 -0.420 17889
1587 1 19 . 1 1 2 2 HIS H H 2 8.959 8.959 7.612 1.347 17889
1588 1 19 . 1 1 3 3 LYS N N 3 123.963 123.963 121.989 1.974 17889
1589 1 19 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.563 -0.368 17889
1590 1 19 . 1 1 3 3 LYS H H 3 8.533 8.533 8.844 -0.311 17889
1591 1 19 . 1 1 4 4 HIS N N 4 120.657 120.657 119.744 0.913 17889
1592 1 19 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.918 -0.312 17889
1593 1 19 . 1 1 4 4 HIS H H 4 8.690 8.690 8.909 -0.219 17889
1594 1 19 . 1 1 5 5 SER N N 5 117.522 117.522 122.959 -5.437 17889
1595 1 19 . 1 1 5 5 SER HA H 5 4.347 4.347 4.453 -0.106 17889
1596 1 19 . 1 1 5 5 SER H H 5 8.375 8.375 8.286 0.089 17889
1597 1 19 . 1 1 6 6 ASP N N 6 122.035 122.035 122.383 -0.348 17889
1598 1 19 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.399 0.170 17889
1599 1 19 . 1 1 6 6 ASP H H 6 8.405 8.405 8.439 -0.034 17889
1600 1 19 . 1 1 7 7 GLU N N 7 120.246 120.246 117.482 2.764 17889
1601 1 19 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.255 0.018 17889
1602 1 19 . 1 1 7 7 GLU H H 7 8.237 8.237 8.300 -0.063 17889
1603 1 19 . 1 1 8 8 SER N N 8 117.720 117.720 116.799 0.921 17889
1604 1 19 . 1 1 8 8 SER HA H 8 4.398 4.398 4.545 -0.147 17889
1605 1 19 . 1 1 8 8 SER H H 8 8.193 8.193 8.130 0.063 17889
1606 1 19 . 1 1 9 9 THR N N 9 115.050 115.050 112.659 2.391 17889
1607 1 19 . 1 1 9 9 THR HA H 9 4.226 4.226 4.024 0.202 17889
1608 1 19 . 1 1 9 9 THR H H 9 8.051 8.051 7.736 0.315 17889
1609 1 19 . 1 1 10 10 SER N N 10 116.587 116.587 116.830 -0.243 17889
1610 1 19 . 1 1 10 10 SER HA H 10 4.341 4.341 3.817 0.524 17889
1611 1 19 . 1 1 10 10 SER H H 10 8.276 8.276 8.815 -0.539 17889
1612 1 19 . 1 1 14 14 GLU N N 14 121.529 121.529 121.383 0.146 17889
1613 1 19 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.249 -0.059 17889
1614 1 19 . 1 1 14 14 GLU H H 14 8.117 8.117 8.736 -0.619 17889
1615 1 19 . 1 1 15 15 SER N N 15 116.705 116.705 114.286 2.419 17889
1616 1 19 . 1 1 15 15 SER HA H 15 4.331 4.331 4.235 0.096 17889
1617 1 19 . 1 1 15 15 SER H H 15 8.114 8.114 8.105 0.009 17889
1618 1 19 . 1 1 16 16 ILE N N 16 122.303 122.303 120.868 1.435 17889
1619 1 19 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.860 0.201 17889
1620 1 19 . 1 1 16 16 ILE H H 16 7.981 7.981 8.803 -0.822 17889
1621 1 19 . 1 1 17 17 ALA N N 17 127.099 127.099 121.923 5.176 17889
1622 1 19 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.270 -0.087 17889
1623 1 19 . 1 1 17 17 ALA H H 17 8.161 8.161 8.000 0.161 17889
1624 1 19 . 1 1 18 18 ASP N N 18 118.740 118.740 116.134 2.606 17889
1625 1 19 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.840 -0.325 17889
1626 1 19 . 1 1 18 18 ASP H H 18 8.134 8.134 8.369 -0.235 17889
1627 1 19 . 1 1 19 19 ASN N N 19 118.913 118.913 115.462 3.451 17889
1628 1 19 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.761 -0.196 17889
1629 1 19 . 1 1 19 19 ASN H H 19 8.189 8.189 8.329 -0.140 17889
1630 1 19 . 1 1 20 20 ASN N N 20 118.703 118.703 119.410 -0.707 17889
1631 1 19 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.866 -0.273 17889
1632 1 19 . 1 1 20 20 ASN H H 20 8.290 8.290 7.855 0.435 17889
1633 1 19 . 1 1 21 21 ASP N N 21 119.859 119.859 121.043 -1.184 17889
1634 1 19 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.372 0.176 17889
1635 1 19 . 1 1 21 21 ASP H H 21 8.206 8.206 8.596 -0.390 17889
1636 1 19 . 1 1 22 22 ASP N N 22 120.431 120.431 115.165 5.266 17889
1637 1 19 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.674 -0.124 17889
1638 1 19 . 1 1 22 22 ASP H H 22 8.294 8.294 8.497 -0.203 17889
1639 1 19 . 1 1 23 23 SER N N 23 115.864 115.864 114.593 1.271 17889
1640 1 19 . 1 1 23 23 SER HA H 23 4.213 4.213 4.615 -0.402 17889
1641 1 19 . 1 1 23 23 SER H H 23 8.186 8.186 7.964 0.222 17889
1642 1 19 . 1 1 24 24 TYR N N 24 121.678 121.678 114.062 7.616 17889
1643 1 19 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.819 -0.549 17889
1644 1 19 . 1 1 24 24 TYR H H 24 7.955 7.955 7.437 0.518 17889
1645 1 19 . 1 1 25 25 PHE N N 25 119.567 119.567 120.994 -1.427 17889
1646 1 19 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.715 -0.349 17889
1647 1 19 . 1 1 25 25 PHE H H 25 7.776 7.776 7.770 0.006 17889
1648 1 19 . 1 1 26 26 GLN N N 26 120.553 120.553 114.947 5.606 17889
1649 1 19 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.524 -0.392 17889
1650 1 19 . 1 1 26 26 GLN H H 26 7.928 7.928 8.338 -0.410 17889
1651 1 19 . 1 1 27 27 ARG N N 27 121.580 121.580 123.465 -1.885 17889
1652 1 19 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.266 -0.083 17889
1653 1 19 . 1 1 27 27 ARG H H 27 8.027 8.027 8.050 -0.023 17889
1654 1 19 . 1 1 28 28 LYS N N 28 123.672 123.672 118.961 4.711 17889
1655 1 19 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.124 0.347 17889
1656 1 19 . 1 1 28 28 LYS H H 28 8.158 8.158 8.222 -0.064 17889
1657 1 19 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.374 -0.076 17889
1658 1 19 . 1 1 30 30 LYS N N 30 121.864 121.864 119.886 1.978 17889
1659 1 19 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.358 -0.163 17889
1660 1 19 . 1 1 30 30 LYS H H 30 8.307 8.307 8.017 0.290 17889
1661 1 19 . 1 1 31 31 LEU N N 31 124.171 124.171 120.787 3.384 17889
1662 1 19 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.542 -0.172 17889
1663 1 19 . 1 1 31 31 LEU H H 31 8.276 8.276 8.174 0.102 17889
1664 1 19 . 1 1 32 32 THR N N 32 119.714 119.714 115.521 4.193 17889
1665 1 19 . 1 1 32 32 THR HA H 32 4.378 4.378 4.045 0.333 17889
1666 1 19 . 1 1 32 32 THR H H 32 7.952 7.952 8.417 -0.465 17889
1667 1 19 . 1 1 33 33 GLU N N 33 121.732 121.732 122.758 -1.026 17889
1668 1 19 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.383 -0.213 17889
1669 1 19 . 1 1 33 33 GLU H H 33 7.865 7.865 8.240 -0.375 17889
1670 1 19 . 1 1 34 34 ALA N N 34 127.078 127.078 124.507 2.571 17889
1671 1 19 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.641 -0.141 17889
1672 1 19 . 1 1 34 34 ALA H H 34 8.215 8.215 8.407 -0.192 17889
1673 1 20 . 1 1 2 2 HIS N N 2 121.309 121.309 119.623 1.686 17889
1674 1 20 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.843 -0.190 17889
1675 1 20 . 1 1 2 2 HIS H H 2 8.959 8.959 8.319 0.640 17889
1676 1 20 . 1 1 3 3 LYS N N 3 123.963 123.963 123.893 0.070 17889
1677 1 20 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.381 -0.186 17889
1678 1 20 . 1 1 3 3 LYS H H 3 8.533 8.533 8.823 -0.290 17889
1679 1 20 . 1 1 4 4 HIS N N 4 120.657 120.657 119.538 1.119 17889
1680 1 20 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.503 0.103 17889
1681 1 20 . 1 1 4 4 HIS H H 4 8.690 8.690 7.832 0.858 17889
1682 1 20 . 1 1 5 5 SER N N 5 117.522 117.522 113.561 3.961 17889
1683 1 20 . 1 1 5 5 SER HA H 5 4.347 4.347 4.049 0.298 17889
1684 1 20 . 1 1 5 5 SER H H 5 8.375 8.375 8.458 -0.083 17889
1685 1 20 . 1 1 6 6 ASP N N 6 122.035 122.035 117.073 4.962 17889
1686 1 20 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.442 0.127 17889
1687 1 20 . 1 1 6 6 ASP H H 6 8.405 8.405 8.022 0.383 17889
1688 1 20 . 1 1 7 7 GLU N N 7 120.246 120.246 124.334 -4.088 17889
1689 1 20 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.362 -0.089 17889
1690 1 20 . 1 1 7 7 GLU H H 7 8.237 8.237 8.396 -0.159 17889
1691 1 20 . 1 1 8 8 SER N N 8 117.720 117.720 114.320 3.400 17889
1692 1 20 . 1 1 8 8 SER HA H 8 4.398 4.398 4.562 -0.164 17889
1693 1 20 . 1 1 8 8 SER H H 8 8.193 8.193 8.217 -0.024 17889
1694 1 20 . 1 1 9 9 THR N N 9 115.050 115.050 113.248 1.802 17889
1695 1 20 . 1 1 9 9 THR HA H 9 4.226 4.226 4.125 0.101 17889
1696 1 20 . 1 1 9 9 THR H H 9 8.051 8.051 8.180 -0.129 17889
1697 1 20 . 1 1 10 10 SER N N 10 116.587 116.587 112.715 3.872 17889
1698 1 20 . 1 1 10 10 SER HA H 10 4.341 4.341 4.571 -0.230 17889
1699 1 20 . 1 1 10 10 SER H H 10 8.276 8.276 7.893 0.383 17889
1700 1 20 . 1 1 14 14 GLU N N 14 121.529 121.529 120.344 1.185 17889
1701 1 20 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.958 0.232 17889
1702 1 20 . 1 1 14 14 GLU H H 14 8.117 8.117 8.392 -0.275 17889
1703 1 20 . 1 1 15 15 SER N N 15 116.705 116.705 112.318 4.387 17889
1704 1 20 . 1 1 15 15 SER HA H 15 4.331 4.331 4.330 0.001 17889
1705 1 20 . 1 1 15 15 SER H H 15 8.114 8.114 7.013 1.101 17889
1706 1 20 . 1 1 16 16 ILE N N 16 122.303 122.303 120.217 2.086 17889
1707 1 20 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.832 0.229 17889
1708 1 20 . 1 1 16 16 ILE H H 16 7.981 7.981 8.177 -0.196 17889
1709 1 20 . 1 1 17 17 ALA N N 17 127.099 127.099 123.441 3.658 17889
1710 1 20 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.022 0.161 17889
1711 1 20 . 1 1 17 17 ALA H H 17 8.161 8.161 8.022 0.139 17889
1712 1 20 . 1 1 18 18 ASP N N 18 118.740 118.740 118.782 -0.042 17889
1713 1 20 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.556 -0.041 17889
1714 1 20 . 1 1 18 18 ASP H H 18 8.134 8.134 8.527 -0.393 17889
1715 1 20 . 1 1 19 19 ASN N N 19 118.913 118.913 115.046 3.867 17889
1716 1 20 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.835 -0.270 17889
1717 1 20 . 1 1 19 19 ASN H H 19 8.189 8.189 8.228 -0.039 17889
1718 1 20 . 1 1 20 20 ASN N N 20 118.703 118.703 117.979 0.724 17889
1719 1 20 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.830 -0.237 17889
1720 1 20 . 1 1 20 20 ASN H H 20 8.290 8.290 8.046 0.244 17889
1721 1 20 . 1 1 21 21 ASP N N 21 119.859 119.859 121.507 -1.648 17889
1722 1 20 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.666 -0.118 17889
1723 1 20 . 1 1 21 21 ASP H H 21 8.206 8.206 8.744 -0.538 17889
1724 1 20 . 1 1 22 22 ASP N N 22 120.431 120.431 115.279 5.152 17889
1725 1 20 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.536 0.014 17889
1726 1 20 . 1 1 22 22 ASP H H 22 8.294 8.294 8.743 -0.449 17889
1727 1 20 . 1 1 23 23 SER N N 23 115.864 115.864 112.639 3.225 17889
1728 1 20 . 1 1 23 23 SER HA H 23 4.213 4.213 4.563 -0.350 17889
1729 1 20 . 1 1 23 23 SER H H 23 8.186 8.186 7.419 0.767 17889
1730 1 20 . 1 1 24 24 TYR N N 24 121.678 121.678 118.278 3.400 17889
1731 1 20 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.756 -0.486 17889
1732 1 20 . 1 1 24 24 TYR H H 24 7.955 7.955 7.821 0.134 17889
1733 1 20 . 1 1 25 25 PHE N N 25 119.567 119.567 117.780 1.787 17889
1734 1 20 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.450 -0.084 17889
1735 1 20 . 1 1 25 25 PHE H H 25 7.776 7.776 7.655 0.121 17889
1736 1 20 . 1 1 26 26 GLN N N 26 120.553 120.553 116.424 4.129 17889
1737 1 20 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.495 -0.363 17889
1738 1 20 . 1 1 26 26 GLN H H 26 7.928 7.928 7.880 0.048 17889
1739 1 20 . 1 1 27 27 ARG N N 27 121.580 121.580 121.667 -0.087 17889
1740 1 20 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.492 -0.309 17889
1741 1 20 . 1 1 27 27 ARG H H 27 8.027 8.027 8.168 -0.141 17889
1742 1 20 . 1 1 28 28 LYS N N 28 123.672 123.672 123.696 -0.024 17889
1743 1 20 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.796 -0.325 17889
1744 1 20 . 1 1 28 28 LYS H H 28 8.158 8.158 7.960 0.198 17889
1745 1 20 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.385 -0.087 17889
1746 1 20 . 1 1 30 30 LYS N N 30 121.864 121.864 119.412 2.452 17889
1747 1 20 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.471 -0.276 17889
1748 1 20 . 1 1 30 30 LYS H H 30 8.307 8.307 7.968 0.339 17889
1749 1 20 . 1 1 31 31 LEU N N 31 124.171 124.171 121.789 2.382 17889
1750 1 20 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.520 -0.150 17889
1751 1 20 . 1 1 31 31 LEU H H 31 8.276 8.276 8.328 -0.052 17889
1752 1 20 . 1 1 32 32 THR N N 32 119.714 119.714 112.672 7.042 17889
1753 1 20 . 1 1 32 32 THR HA H 32 4.378 4.378 4.021 0.357 17889
1754 1 20 . 1 1 32 32 THR H H 32 7.952 7.952 8.372 -0.420 17889
1755 1 20 . 1 1 33 33 GLU N N 33 121.732 121.732 119.802 1.930 17889
1756 1 20 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.420 -0.250 17889
1757 1 20 . 1 1 33 33 GLU H H 33 7.865 7.865 8.129 -0.264 17889
1758 1 20 . 1 1 34 34 ALA N N 34 127.078 127.078 124.062 3.016 17889
1759 1 20 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.793 -0.293 17889
1760 1 20 . 1 1 34 34 ALA H H 34 8.215 8.215 8.300 -0.085 17889
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 29 3.620 -1.992 3.076 17889
2 1 1 "Average Difference" HA 30 0.272 0.026 0.275 17889
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17889
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17889
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17889
6 1 1 "Average Difference" HN 29 0.503 -0.042 0.510 17889
7 1 2 "Average Difference" N 29 3.717 -2.343 2.937 17889
8 1 2 "Average Difference" HA 30 0.246 0.010 0.250 17889
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17889
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17889
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17889
12 1 2 "Average Difference" HN 29 0.448 0.049 0.453 17889
13 1 3 "Average Difference" N 29 3.156 -1.921 2.548 17889
14 1 3 "Average Difference" HA 30 0.233 0.117 0.205 17889
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17889
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17889
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17889
18 1 3 "Average Difference" HN 29 0.413 0.083 0.411 17889
19 1 4 "Average Difference" N 29 3.104 -1.665 2.666 17889
20 1 4 "Average Difference" HA 30 0.225 0.019 0.228 17889
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17889
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17889
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17889
24 1 4 "Average Difference" HN 29 0.477 0.035 0.484 17889
25 1 5 "Average Difference" N 29 3.511 -2.338 2.665 17889
26 1 5 "Average Difference" HA 30 0.269 -0.012 0.273 17889
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17889
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17889
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17889
30 1 5 "Average Difference" HN 29 0.452 -0.041 0.458 17889
31 1 6 "Average Difference" N 29 2.915 -1.846 2.296 17889
32 1 6 "Average Difference" HA 30 0.239 0.085 0.227 17889
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17889
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17889
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17889
36 1 6 "Average Difference" HN 29 0.418 -0.027 0.425 17889
37 1 7 "Average Difference" N 29 2.857 -1.325 2.576 17889
38 1 7 "Average Difference" HA 30 0.256 0.068 0.251 17889
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17889
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17889
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17889
42 1 7 "Average Difference" HN 29 0.483 0.004 0.492 17889
43 1 8 "Average Difference" N 29 3.492 -2.496 2.484 17889
44 1 8 "Average Difference" HA 30 0.280 0.084 0.271 17889
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17889
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17889
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17889
48 1 8 "Average Difference" HN 29 0.430 0.061 0.434 17889
49 1 9 "Average Difference" N 29 4.390 -2.869 3.381 17889
50 1 9 "Average Difference" HA 30 0.214 0.050 0.211 17889
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17889
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17889
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17889
54 1 9 "Average Difference" HN 29 0.437 -0.094 0.434 17889
55 1 10 "Average Difference" N 29 3.929 -3.017 2.562 17889
56 1 10 "Average Difference" HA 30 0.287 0.150 0.249 17889
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17889
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17889
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17889
60 1 10 "Average Difference" HN 29 0.357 0.001 0.363 17889
61 1 11 "Average Difference" N 29 3.693 -1.900 3.223 17889
62 1 11 "Average Difference" HA 30 0.199 0.022 0.201 17889
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17889
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17889
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17889
66 1 11 "Average Difference" HN 29 0.462 0.006 0.470 17889
67 1 12 "Average Difference" N 29 3.534 -2.885 2.077 17889
68 1 12 "Average Difference" HA 30 0.292 0.125 0.269 17889
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17889
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17889
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17889
72 1 12 "Average Difference" HN 29 0.417 0.024 0.424 17889
73 1 13 "Average Difference" N 29 3.501 -2.031 2.902 17889
74 1 13 "Average Difference" HA 30 0.258 0.058 0.255 17889
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17889
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17889
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17889
78 1 13 "Average Difference" HN 29 0.462 0.043 0.468 17889
79 1 14 "Average Difference" N 29 3.621 -2.356 2.799 17889
80 1 14 "Average Difference" HA 30 0.229 0.042 0.229 17889
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17889
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17889
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17889
84 1 14 "Average Difference" HN 29 0.394 -0.008 0.401 17889
85 1 15 "Average Difference" N 29 2.973 -1.887 2.339 17889
86 1 15 "Average Difference" HA 30 0.177 0.081 0.161 17889
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17889
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17889
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17889
90 1 15 "Average Difference" HN 29 0.441 0.011 0.449 17889
91 1 16 "Average Difference" N 29 3.797 -2.729 2.688 17889
92 1 16 "Average Difference" HA 30 0.255 -0.001 0.259 17889
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17889
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17889
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17889
96 1 16 "Average Difference" HN 29 0.454 0.070 0.456 17889
97 1 17 "Average Difference" N 29 3.464 -1.981 2.892 17889
98 1 17 "Average Difference" HA 30 0.247 0.148 0.201 17889
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17889
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17889
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17889
102 1 17 "Average Difference" HN 29 0.431 -0.097 0.427 17889
103 1 18 "Average Difference" N 29 3.090 -1.893 2.485 17889
104 1 18 "Average Difference" HA 30 0.237 0.154 0.183 17889
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17889
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17889
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17889
108 1 18 "Average Difference" HN 29 0.406 0.066 0.408 17889
109 1 19 "Average Difference" N 29 3.181 -1.725 2.720 17889
110 1 19 "Average Difference" HA 30 0.272 0.096 0.258 17889
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17889
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17889
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17889
114 1 19 "Average Difference" HN 29 0.410 0.053 0.414 17889
115 1 20 "Average Difference" N 29 3.164 -2.255 2.259 17889
116 1 20 "Average Difference" HA 30 0.234 0.096 0.217 17889
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17889
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17889
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17889
120 1 20 "Average Difference" HN 29 0.402 -0.063 0.404 17889
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 17889
_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 HIS N N 2 121.309 121.309 119.620 1.689 17889
2 1 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.707 -0.054 17889
3 1 . 1 1 2 2 HIS H H 2 8.959 8.959 8.178 0.781 17889
4 1 . 1 1 3 3 LYS N N 3 123.963 123.963 121.379 2.584 17889
5 1 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.298 -0.103 17889
6 1 . 1 1 3 3 LYS H H 3 8.533 8.533 8.402 0.131 17889
7 1 . 1 1 4 4 HIS N N 4 120.657 120.657 119.004 1.653 17889
8 1 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.567 0.039 17889
9 1 . 1 1 4 4 HIS H H 4 8.690 8.690 8.315 0.375 17889
10 1 . 1 1 5 5 SER N N 5 117.522 117.522 115.972 1.550 17889
11 1 . 1 1 5 5 SER HA H 5 4.347 4.347 4.348 -0.001 17889
12 1 . 1 1 5 5 SER H H 5 8.375 8.375 8.309 0.066 17889
13 1 . 1 1 6 6 ASP N N 6 122.035 122.035 121.148 0.887 17889
14 1 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.650 -0.081 17889
15 1 . 1 1 6 6 ASP H H 6 8.405 8.405 8.252 0.153 17889
16 1 . 1 1 7 7 GLU N N 7 120.246 120.246 120.811 -0.565 17889
17 1 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.373 -0.100 17889
18 1 . 1 1 7 7 GLU H H 7 8.237 8.237 8.400 -0.163 17889
19 1 . 1 1 8 8 SER N N 8 117.720 117.720 115.862 1.858 17889
20 1 . 1 1 8 8 SER HA H 8 4.398 4.398 4.502 -0.104 17889
21 1 . 1 1 8 8 SER H H 8 8.193 8.193 8.470 -0.277 17889
22 1 . 1 1 9 9 THR N N 9 115.050 115.050 113.345 1.705 17889
23 1 . 1 1 9 9 THR HA H 9 4.226 4.226 4.067 0.159 17889
24 1 . 1 1 9 9 THR H H 9 8.051 8.051 8.140 -0.089 17889
25 1 . 1 1 10 10 SER N N 10 116.587 116.587 113.811 2.776 17889
26 1 . 1 1 10 10 SER HA H 10 4.341 4.341 4.415 -0.074 17889
27 1 . 1 1 10 10 SER H H 10 8.276 8.276 8.058 0.218 17889
28 1 . 1 1 14 14 GLU N N 14 121.529 121.529 121.472 0.057 17889
29 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.162 0.028 17889
30 1 . 1 1 14 14 GLU H H 14 8.117 8.117 8.590 -0.473 17889
31 1 . 1 1 15 15 SER N N 15 116.705 116.705 114.230 2.476 17889
32 1 . 1 1 15 15 SER HA H 15 4.331 4.331 4.449 -0.118 17889
33 1 . 1 1 15 15 SER H H 15 8.114 8.114 7.800 0.314 17889
34 1 . 1 1 16 16 ILE N N 16 122.303 122.303 121.986 0.317 17889
35 1 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.023 0.038 17889
36 1 . 1 1 16 16 ILE H H 16 7.981 7.981 8.532 -0.551 17889
37 1 . 1 1 17 17 ALA N N 17 127.099 127.099 122.575 4.524 17889
38 1 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.233 -0.050 17889
39 1 . 1 1 17 17 ALA H H 17 8.161 8.161 7.734 0.427 17889
40 1 . 1 1 18 18 ASP N N 18 118.740 118.740 117.287 1.453 17889
41 1 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.535 -0.020 17889
42 1 . 1 1 18 18 ASP H H 18 8.134 8.134 8.715 -0.581 17889
43 1 . 1 1 19 19 ASN N N 19 118.913 118.913 113.711 5.202 17889
44 1 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.733 -0.168 17889
45 1 . 1 1 19 19 ASN H H 19 8.189 8.189 8.193 -0.004 17889
46 1 . 1 1 20 20 ASN N N 20 118.703 118.703 117.895 0.808 17889
47 1 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.828 -0.235 17889
48 1 . 1 1 20 20 ASN H H 20 8.290 8.290 8.121 0.169 17889
49 1 . 1 1 21 21 ASP N N 21 119.859 119.859 119.816 0.043 17889
50 1 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.559 -0.011 17889
51 1 . 1 1 21 21 ASP H H 21 8.206 8.206 8.692 -0.486 17889
52 1 . 1 1 22 22 ASP N N 22 120.431 120.431 117.019 3.412 17889
53 1 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.586 -0.036 17889
54 1 . 1 1 22 22 ASP H H 22 8.294 8.294 8.576 -0.282 17889
55 1 . 1 1 23 23 SER N N 23 115.864 115.864 113.063 2.801 17889
56 1 . 1 1 23 23 SER HA H 23 4.213 4.213 4.591 -0.378 17889
57 1 . 1 1 23 23 SER H H 23 8.186 8.186 7.935 0.251 17889
58 1 . 1 1 24 24 TYR N N 24 121.678 121.678 119.151 2.527 17889
59 1 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.674 -0.404 17889
60 1 . 1 1 24 24 TYR H H 24 7.955 7.955 7.961 -0.006 17889
61 1 . 1 1 25 25 PHE N N 25 119.567 119.567 119.213 0.354 17889
62 1 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.345 0.021 17889
63 1 . 1 1 25 25 PHE H H 25 7.776 7.776 7.586 0.190 17889
64 1 . 1 1 26 26 GLN N N 26 120.553 120.553 116.694 3.860 17889
65 1 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.174 -0.042 17889
66 1 . 1 1 26 26 GLN H H 26 7.928 7.928 7.961 -0.033 17889
67 1 . 1 1 27 27 ARG N N 27 121.580 121.580 118.691 2.889 17889
68 1 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.186 -0.003 17889
69 1 . 1 1 27 27 ARG H H 27 8.027 8.027 8.100 -0.073 17889
70 1 . 1 1 28 28 LYS N N 28 123.672 123.672 122.193 1.479 17889
71 1 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.590 -0.119 17889
72 1 . 1 1 28 28 LYS H H 28 8.158 8.158 8.113 0.045 17889
73 1 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.364 -0.066 17889
74 1 . 1 1 30 30 LYS N N 30 121.864 121.864 118.038 3.826 17889
75 1 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.326 -0.131 17889
76 1 . 1 1 30 30 LYS H H 30 8.307 8.307 8.026 0.281 17889
77 1 . 1 1 31 31 LEU N N 31 124.171 124.171 120.280 3.892 17889
78 1 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.375 -0.005 17889
79 1 . 1 1 31 31 LEU H H 31 8.276 8.276 8.200 0.076 17889
80 1 . 1 1 32 32 THR N N 32 119.714 119.714 112.833 6.881 17889
81 1 . 1 1 32 32 THR HA H 32 4.378 4.378 4.270 0.108 17889
82 1 . 1 1 32 32 THR H H 32 7.952 7.952 8.012 -0.060 17889
83 1 . 1 1 33 33 GLU N N 33 121.732 121.732 121.625 0.107 17889
84 1 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.328 -0.158 17889
85 1 . 1 1 33 33 GLU H H 33 7.865 7.865 8.491 -0.626 17889
86 1 . 1 1 34 34 ALA N N 34 127.078 127.078 125.110 1.968 17889
87 1 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.556 -0.056 17889
88 1 . 1 1 34 34 ALA H H 34 8.215 8.215 8.184 0.031 17889
stop_
save_