data_18335
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18335
_Entry.PDB_ID 2LQY
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 18335
_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 GLY H H 2 8.140 8.140 8.189 -0.049 18335
2 1 1 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.393 -0.353 18335
3 1 1 . 1 1 3 3 LEU H H 3 9.040 9.040 8.325 0.715 18335
4 1 1 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.096 -0.166 18335
5 1 1 . 1 1 4 4 ALA H H 4 8.790 8.790 8.254 0.536 18335
6 1 1 . 1 1 5 5 SER HA H 5 3.900 3.900 4.596 -0.696 18335
7 1 1 . 1 1 5 5 SER H H 5 7.830 7.830 7.965 -0.135 18335
8 1 1 . 1 1 6 6 THR HA H 6 3.900 3.900 4.057 -0.157 18335
9 1 1 . 1 1 6 6 THR H H 6 8.010 8.010 8.170 -0.160 18335
10 1 1 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.639 -0.609 18335
11 1 1 . 1 1 7 7 LEU H H 7 7.600 7.600 7.768 -0.168 18335
12 1 1 . 1 1 8 8 THR HA H 8 4.050 4.050 4.389 -0.339 18335
13 1 1 . 1 1 8 8 THR H H 8 7.420 7.420 8.160 -0.740 18335
14 1 1 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.554 -0.514 18335
15 1 1 . 1 1 9 9 ARG H H 9 7.650 7.650 7.898 -0.248 18335
16 1 1 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.381 0.109 18335
17 1 1 . 1 1 10 10 TRP H H 10 7.940 7.940 7.873 0.067 18335
18 1 1 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.572 0.378 18335
19 1 1 . 1 1 11 11 ALA H H 11 8.200 8.200 8.100 0.100 18335
20 1 1 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.539 -0.169 18335
21 1 1 . 1 1 12 12 HIS H H 12 7.530 7.530 7.931 -0.401 18335
22 1 1 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.294 -0.274 18335
23 1 1 . 1 1 13 13 TYR H H 13 8.020 8.020 7.963 0.057 18335
24 1 1 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.367 -0.117 18335
25 1 1 . 1 1 14 14 ASN H H 14 8.180 8.180 7.752 0.428 18335
26 1 1 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.926 0.074 18335
27 1 1 . 1 1 15 15 ALA H H 15 7.770 7.770 8.146 -0.376 18335
28 1 1 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.314 -0.204 18335
29 1 1 . 1 1 16 16 LEU H H 16 7.830 7.830 7.280 0.550 18335
30 1 1 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.982 -0.122 18335
31 1 1 . 1 1 17 17 ILE H H 17 7.520 7.520 7.079 0.441 18335
32 1 1 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.347 -0.287 18335
33 1 1 . 1 1 18 18 ARG H H 18 7.640 7.640 7.684 -0.044 18335
34 1 1 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.415 -0.285 18335
35 1 1 . 1 1 19 19 ALA H H 19 7.590 7.590 8.504 -0.914 18335
36 1 2 . 1 1 2 2 GLY H H 2 8.140 8.140 8.230 -0.090 18335
37 1 2 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.221 -0.181 18335
38 1 2 . 1 1 3 3 LEU H H 3 9.040 9.040 8.348 0.692 18335
39 1 2 . 1 1 4 4 ALA HA H 4 3.930 3.930 3.973 -0.043 18335
40 1 2 . 1 1 4 4 ALA H H 4 8.790 8.790 7.841 0.949 18335
41 1 2 . 1 1 5 5 SER HA H 5 3.900 3.900 4.412 -0.512 18335
42 1 2 . 1 1 5 5 SER H H 5 7.830 7.830 7.625 0.205 18335
43 1 2 . 1 1 6 6 THR HA H 6 3.900 3.900 4.098 -0.198 18335
44 1 2 . 1 1 6 6 THR H H 6 8.010 8.010 7.365 0.645 18335
45 1 2 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.576 -0.546 18335
46 1 2 . 1 1 7 7 LEU H H 7 7.600 7.600 7.706 -0.106 18335
47 1 2 . 1 1 8 8 THR HA H 8 4.050 4.050 4.260 -0.210 18335
48 1 2 . 1 1 8 8 THR H H 8 7.420 7.420 8.088 -0.668 18335
49 1 2 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.329 -0.288 18335
50 1 2 . 1 1 9 9 ARG H H 9 7.650 7.650 7.728 -0.078 18335
51 1 2 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.283 0.207 18335
52 1 2 . 1 1 10 10 TRP H H 10 7.940 7.940 7.762 0.178 18335
53 1 2 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.715 0.235 18335
54 1 2 . 1 1 11 11 ALA H H 11 8.200 8.200 8.100 0.100 18335
55 1 2 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.678 -0.308 18335
56 1 2 . 1 1 12 12 HIS H H 12 7.530 7.530 8.138 -0.608 18335
57 1 2 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.518 -0.498 18335
58 1 2 . 1 1 13 13 TYR H H 13 8.020 8.020 7.992 0.028 18335
59 1 2 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.301 -0.051 18335
60 1 2 . 1 1 14 14 ASN H H 14 8.180 8.180 7.772 0.408 18335
61 1 2 . 1 1 15 15 ALA HA H 15 4.000 4.000 4.014 -0.014 18335
62 1 2 . 1 1 15 15 ALA H H 15 7.770 7.770 8.022 -0.252 18335
63 1 2 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.385 -0.275 18335
64 1 2 . 1 1 16 16 LEU H H 16 7.830 7.830 7.947 -0.117 18335
65 1 2 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.178 -0.318 18335
66 1 2 . 1 1 17 17 ILE H H 17 7.520 7.520 8.064 -0.544 18335
67 1 2 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.360 -0.300 18335
68 1 2 . 1 1 18 18 ARG H H 18 7.640 7.640 7.637 0.003 18335
69 1 2 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.457 -0.327 18335
70 1 2 . 1 1 19 19 ALA H H 19 7.590 7.590 8.993 -1.403 18335
71 1 3 . 1 1 2 2 GLY H H 2 8.140 8.140 8.368 -0.228 18335
72 1 3 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.340 -0.300 18335
73 1 3 . 1 1 3 3 LEU H H 3 9.040 9.040 8.229 0.811 18335
74 1 3 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.111 -0.181 18335
75 1 3 . 1 1 4 4 ALA H H 4 8.790 8.790 8.296 0.494 18335
76 1 3 . 1 1 5 5 SER HA H 5 3.900 3.900 4.487 -0.587 18335
77 1 3 . 1 1 5 5 SER H H 5 7.830 7.830 7.800 0.030 18335
78 1 3 . 1 1 6 6 THR HA H 6 3.900 3.900 4.135 -0.235 18335
79 1 3 . 1 1 6 6 THR H H 6 8.010 8.010 7.856 0.154 18335
80 1 3 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.633 -0.603 18335
81 1 3 . 1 1 7 7 LEU H H 7 7.600 7.600 7.753 -0.153 18335
82 1 3 . 1 1 8 8 THR HA H 8 4.050 4.050 4.314 -0.264 18335
83 1 3 . 1 1 8 8 THR H H 8 7.420 7.420 8.288 -0.868 18335
84 1 3 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.503 -0.463 18335
85 1 3 . 1 1 9 9 ARG H H 9 7.650 7.650 7.778 -0.128 18335
86 1 3 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.554 -0.064 18335
87 1 3 . 1 1 10 10 TRP H H 10 7.940 7.940 7.963 -0.023 18335
88 1 3 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.936 0.015 18335
89 1 3 . 1 1 11 11 ALA H H 11 8.200 8.200 8.092 0.108 18335
90 1 3 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.530 -0.160 18335
91 1 3 . 1 1 12 12 HIS H H 12 7.530 7.530 7.888 -0.358 18335
92 1 3 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.543 -0.523 18335
93 1 3 . 1 1 13 13 TYR H H 13 8.020 8.020 8.192 -0.172 18335
94 1 3 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.319 -0.069 18335
95 1 3 . 1 1 14 14 ASN H H 14 8.180 8.180 7.732 0.448 18335
96 1 3 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.995 0.005 18335
97 1 3 . 1 1 15 15 ALA H H 15 7.770 7.770 8.099 -0.329 18335
98 1 3 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.388 -0.278 18335
99 1 3 . 1 1 16 16 LEU H H 16 7.830 7.830 7.635 0.195 18335
100 1 3 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.041 -0.181 18335
101 1 3 . 1 1 17 17 ILE H H 17 7.520 7.520 7.990 -0.470 18335
102 1 3 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.391 -0.331 18335
103 1 3 . 1 1 18 18 ARG H H 18 7.640 7.640 7.679 -0.039 18335
104 1 3 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.501 -0.371 18335
105 1 3 . 1 1 19 19 ALA H H 19 7.590 7.590 8.455 -0.865 18335
106 1 4 . 1 1 2 2 GLY H H 2 8.140 8.140 8.204 -0.064 18335
107 1 4 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.409 -0.369 18335
108 1 4 . 1 1 3 3 LEU H H 3 9.040 9.040 8.172 0.868 18335
109 1 4 . 1 1 4 4 ALA HA H 4 3.930 3.930 3.986 -0.056 18335
110 1 4 . 1 1 4 4 ALA H H 4 8.790 8.790 7.977 0.813 18335
111 1 4 . 1 1 5 5 SER HA H 5 3.900 3.900 4.573 -0.673 18335
112 1 4 . 1 1 5 5 SER H H 5 7.830 7.830 7.954 -0.124 18335
113 1 4 . 1 1 6 6 THR HA H 6 3.900 3.900 4.025 -0.125 18335
114 1 4 . 1 1 6 6 THR H H 6 8.010 8.010 8.324 -0.314 18335
115 1 4 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.850 -0.820 18335
116 1 4 . 1 1 7 7 LEU H H 7 7.600 7.600 7.589 0.011 18335
117 1 4 . 1 1 8 8 THR HA H 8 4.050 4.050 4.393 -0.343 18335
118 1 4 . 1 1 8 8 THR H H 8 7.420 7.420 8.220 -0.800 18335
119 1 4 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.503 -0.463 18335
120 1 4 . 1 1 9 9 ARG H H 9 7.650 7.650 7.803 -0.153 18335
121 1 4 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.428 0.062 18335
122 1 4 . 1 1 10 10 TRP H H 10 7.940 7.940 7.932 0.008 18335
123 1 4 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.944 0.006 18335
124 1 4 . 1 1 11 11 ALA H H 11 8.200 8.200 7.983 0.217 18335
125 1 4 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.599 -0.229 18335
126 1 4 . 1 1 12 12 HIS H H 12 7.530 7.530 8.040 -0.510 18335
127 1 4 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.565 -0.545 18335
128 1 4 . 1 1 13 13 TYR H H 13 8.020 8.020 8.110 -0.090 18335
129 1 4 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.105 0.145 18335
130 1 4 . 1 1 14 14 ASN H H 14 8.180 8.180 7.747 0.433 18335
131 1 4 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.913 0.087 18335
132 1 4 . 1 1 15 15 ALA H H 15 7.770 7.770 8.095 -0.325 18335
133 1 4 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.274 -0.164 18335
134 1 4 . 1 1 16 16 LEU H H 16 7.830 7.830 7.327 0.503 18335
135 1 4 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.030 -0.170 18335
136 1 4 . 1 1 17 17 ILE H H 17 7.520 7.520 7.233 0.287 18335
137 1 4 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.431 -0.371 18335
138 1 4 . 1 1 18 18 ARG H H 18 7.640 7.640 7.530 0.110 18335
139 1 4 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.524 -0.394 18335
140 1 4 . 1 1 19 19 ALA H H 19 7.590 7.590 8.426 -0.836 18335
141 1 5 . 1 1 2 2 GLY H H 2 8.140 8.140 8.180 -0.040 18335
142 1 5 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.408 -0.368 18335
143 1 5 . 1 1 3 3 LEU H H 3 9.040 9.040 8.211 0.829 18335
144 1 5 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.051 -0.121 18335
145 1 5 . 1 1 4 4 ALA H H 4 8.790 8.790 8.062 0.728 18335
146 1 5 . 1 1 5 5 SER HA H 5 3.900 3.900 4.601 -0.701 18335
147 1 5 . 1 1 5 5 SER H H 5 7.830 7.830 7.995 -0.165 18335
148 1 5 . 1 1 6 6 THR HA H 6 3.900 3.900 4.061 -0.161 18335
149 1 5 . 1 1 6 6 THR H H 6 8.010 8.010 8.202 -0.192 18335
150 1 5 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.647 -0.617 18335
151 1 5 . 1 1 7 7 LEU H H 7 7.600 7.600 7.772 -0.172 18335
152 1 5 . 1 1 8 8 THR HA H 8 4.050 4.050 4.421 -0.371 18335
153 1 5 . 1 1 8 8 THR H H 8 7.420 7.420 8.379 -0.959 18335
154 1 5 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.543 -0.503 18335
155 1 5 . 1 1 9 9 ARG H H 9 7.650 7.650 7.854 -0.204 18335
156 1 5 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.396 0.094 18335
157 1 5 . 1 1 10 10 TRP H H 10 7.940 7.940 7.863 0.077 18335
158 1 5 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.706 0.244 18335
159 1 5 . 1 1 11 11 ALA H H 11 8.200 8.200 8.271 -0.071 18335
160 1 5 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.618 -0.248 18335
161 1 5 . 1 1 12 12 HIS H H 12 7.530 7.530 8.037 -0.507 18335
162 1 5 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.521 -0.501 18335
163 1 5 . 1 1 13 13 TYR H H 13 8.020 8.020 8.012 0.008 18335
164 1 5 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.383 -0.134 18335
165 1 5 . 1 1 14 14 ASN H H 14 8.180 8.180 7.767 0.413 18335
166 1 5 . 1 1 15 15 ALA HA H 15 4.000 4.000 4.003 -0.003 18335
167 1 5 . 1 1 15 15 ALA H H 15 7.770 7.770 8.136 -0.366 18335
168 1 5 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.227 -0.117 18335
169 1 5 . 1 1 16 16 LEU H H 16 7.830 7.830 7.812 0.018 18335
170 1 5 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.206 -0.346 18335
171 1 5 . 1 1 17 17 ILE H H 17 7.520 7.520 7.321 0.199 18335
172 1 5 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.964 0.096 18335
173 1 5 . 1 1 18 18 ARG H H 18 7.640 7.640 7.715 -0.075 18335
174 1 5 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.632 -0.502 18335
175 1 5 . 1 1 19 19 ALA H H 19 7.590 7.590 8.604 -1.014 18335
176 1 6 . 1 1 2 2 GLY H H 2 8.140 8.140 8.479 -0.339 18335
177 1 6 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.326 -0.286 18335
178 1 6 . 1 1 3 3 LEU H H 3 9.040 9.040 8.163 0.877 18335
179 1 6 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.121 -0.191 18335
180 1 6 . 1 1 4 4 ALA H H 4 8.790 8.790 8.289 0.501 18335
181 1 6 . 1 1 5 5 SER HA H 5 3.900 3.900 4.499 -0.599 18335
182 1 6 . 1 1 5 5 SER H H 5 7.830 7.830 7.772 0.058 18335
183 1 6 . 1 1 6 6 THR HA H 6 3.900 3.900 4.167 -0.267 18335
184 1 6 . 1 1 6 6 THR H H 6 8.010 8.010 7.885 0.125 18335
185 1 6 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.916 -0.886 18335
186 1 6 . 1 1 7 7 LEU H H 7 7.600 7.600 7.743 -0.143 18335
187 1 6 . 1 1 8 8 THR HA H 8 4.050 4.050 4.420 -0.370 18335
188 1 6 . 1 1 8 8 THR H H 8 7.420 7.420 8.251 -0.831 18335
189 1 6 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.519 -0.479 18335
190 1 6 . 1 1 9 9 ARG H H 9 7.650 7.650 7.881 -0.231 18335
191 1 6 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.433 0.057 18335
192 1 6 . 1 1 10 10 TRP H H 10 7.940 7.940 7.946 -0.006 18335
193 1 6 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.628 0.322 18335
194 1 6 . 1 1 11 11 ALA H H 11 8.200 8.200 8.114 0.086 18335
195 1 6 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.586 -0.216 18335
196 1 6 . 1 1 12 12 HIS H H 12 7.530 7.530 7.970 -0.440 18335
197 1 6 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.541 -0.521 18335
198 1 6 . 1 1 13 13 TYR H H 13 8.020 8.020 8.012 0.008 18335
199 1 6 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.376 -0.126 18335
200 1 6 . 1 1 14 14 ASN H H 14 8.180 8.180 7.845 0.335 18335
201 1 6 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.906 0.094 18335
202 1 6 . 1 1 15 15 ALA H H 15 7.770 7.770 8.177 -0.407 18335
203 1 6 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.460 -0.350 18335
204 1 6 . 1 1 16 16 LEU H H 16 7.830 7.830 7.392 0.438 18335
205 1 6 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.959 -0.099 18335
206 1 6 . 1 1 17 17 ILE H H 17 7.520 7.520 7.407 0.113 18335
207 1 6 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.067 -0.007 18335
208 1 6 . 1 1 18 18 ARG H H 18 7.640 7.640 8.019 -0.379 18335
209 1 6 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.063 0.067 18335
210 1 6 . 1 1 19 19 ALA H H 19 7.590 7.590 8.059 -0.469 18335
211 1 7 . 1 1 2 2 GLY H H 2 8.140 8.140 8.211 -0.071 18335
212 1 7 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.313 -0.273 18335
213 1 7 . 1 1 3 3 LEU H H 3 9.040 9.040 8.218 0.822 18335
214 1 7 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.104 -0.174 18335
215 1 7 . 1 1 4 4 ALA H H 4 8.790 8.790 8.274 0.516 18335
216 1 7 . 1 1 5 5 SER HA H 5 3.900 3.900 4.437 -0.537 18335
217 1 7 . 1 1 5 5 SER H H 5 7.830 7.830 7.827 0.003 18335
218 1 7 . 1 1 6 6 THR HA H 6 3.900 3.900 4.116 -0.216 18335
219 1 7 . 1 1 6 6 THR H H 6 8.010 8.010 7.793 0.217 18335
220 1 7 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.778 -0.748 18335
221 1 7 . 1 1 7 7 LEU H H 7 7.600 7.600 7.654 -0.054 18335
222 1 7 . 1 1 8 8 THR HA H 8 4.050 4.050 4.447 -0.397 18335
223 1 7 . 1 1 8 8 THR H H 8 7.420 7.420 8.250 -0.830 18335
224 1 7 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.593 -0.553 18335
225 1 7 . 1 1 9 9 ARG H H 9 7.650 7.650 7.829 -0.179 18335
226 1 7 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.295 0.195 18335
227 1 7 . 1 1 10 10 TRP H H 10 7.940 7.940 7.974 -0.034 18335
228 1 7 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.724 0.226 18335
229 1 7 . 1 1 11 11 ALA H H 11 8.200 8.200 7.952 0.248 18335
230 1 7 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.617 -0.247 18335
231 1 7 . 1 1 12 12 HIS H H 12 7.530 7.530 8.101 -0.571 18335
232 1 7 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.525 -0.505 18335
233 1 7 . 1 1 13 13 TYR H H 13 8.020 8.020 8.022 -0.002 18335
234 1 7 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.438 -0.188 18335
235 1 7 . 1 1 14 14 ASN H H 14 8.180 8.180 7.614 0.566 18335
236 1 7 . 1 1 15 15 ALA HA H 15 4.000 4.000 4.011 -0.011 18335
237 1 7 . 1 1 15 15 ALA H H 15 7.770 7.770 8.156 -0.386 18335
238 1 7 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.345 -0.235 18335
239 1 7 . 1 1 16 16 LEU H H 16 7.830 7.830 7.676 0.154 18335
240 1 7 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.158 -0.298 18335
241 1 7 . 1 1 17 17 ILE H H 17 7.520 7.520 7.353 0.167 18335
242 1 7 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.963 0.097 18335
243 1 7 . 1 1 18 18 ARG H H 18 7.640 7.640 7.786 -0.146 18335
244 1 7 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.306 -0.176 18335
245 1 7 . 1 1 19 19 ALA H H 19 7.590 7.590 8.251 -0.661 18335
246 1 8 . 1 1 2 2 GLY H H 2 8.140 8.140 8.044 0.096 18335
247 1 8 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.401 -0.361 18335
248 1 8 . 1 1 3 3 LEU H H 3 9.040 9.040 8.109 0.931 18335
249 1 8 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.120 -0.190 18335
250 1 8 . 1 1 4 4 ALA H H 4 8.790 8.790 8.295 0.495 18335
251 1 8 . 1 1 5 5 SER HA H 5 3.900 3.900 4.594 -0.694 18335
252 1 8 . 1 1 5 5 SER H H 5 7.830 7.830 7.980 -0.150 18335
253 1 8 . 1 1 6 6 THR HA H 6 3.900 3.900 4.118 -0.218 18335
254 1 8 . 1 1 6 6 THR H H 6 8.010 8.010 8.273 -0.263 18335
255 1 8 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.915 -0.885 18335
256 1 8 . 1 1 7 7 LEU H H 7 7.600 7.600 7.739 -0.139 18335
257 1 8 . 1 1 8 8 THR HA H 8 4.050 4.050 4.395 -0.345 18335
258 1 8 . 1 1 8 8 THR H H 8 7.420 7.420 8.199 -0.779 18335
259 1 8 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.645 -0.605 18335
260 1 8 . 1 1 9 9 ARG H H 9 7.650 7.650 7.875 -0.225 18335
261 1 8 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.543 -0.053 18335
262 1 8 . 1 1 10 10 TRP H H 10 7.940 7.940 7.957 -0.017 18335
263 1 8 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.547 0.403 18335
264 1 8 . 1 1 11 11 ALA H H 11 8.200 8.200 8.100 0.100 18335
265 1 8 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.523 -0.153 18335
266 1 8 . 1 1 12 12 HIS H H 12 7.530 7.530 7.865 -0.335 18335
267 1 8 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.247 -0.227 18335
268 1 8 . 1 1 13 13 TYR H H 13 8.020 8.020 7.941 0.079 18335
269 1 8 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.464 -0.214 18335
270 1 8 . 1 1 14 14 ASN H H 14 8.180 8.180 8.009 0.171 18335
271 1 8 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.960 0.040 18335
272 1 8 . 1 1 15 15 ALA H H 15 7.770 7.770 8.206 -0.436 18335
273 1 8 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.248 -0.138 18335
274 1 8 . 1 1 16 16 LEU H H 16 7.830 7.830 7.449 0.381 18335
275 1 8 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.013 -0.153 18335
276 1 8 . 1 1 17 17 ILE H H 17 7.520 7.520 7.514 0.006 18335
277 1 8 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.765 0.295 18335
278 1 8 . 1 1 18 18 ARG H H 18 7.640 7.640 8.439 -0.799 18335
279 1 8 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.444 -0.314 18335
280 1 8 . 1 1 19 19 ALA H H 19 7.590 7.590 8.182 -0.592 18335
281 1 9 . 1 1 2 2 GLY H H 2 8.140 8.140 8.218 -0.078 18335
282 1 9 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.388 -0.348 18335
283 1 9 . 1 1 3 3 LEU H H 3 9.040 9.040 8.325 0.715 18335
284 1 9 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.114 -0.184 18335
285 1 9 . 1 1 4 4 ALA H H 4 8.790 8.790 8.293 0.497 18335
286 1 9 . 1 1 5 5 SER HA H 5 3.900 3.900 4.638 -0.738 18335
287 1 9 . 1 1 5 5 SER H H 5 7.830 7.830 8.068 -0.238 18335
288 1 9 . 1 1 6 6 THR HA H 6 3.900 3.900 4.073 -0.173 18335
289 1 9 . 1 1 6 6 THR H H 6 8.010 8.010 8.248 -0.238 18335
290 1 9 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.595 -0.565 18335
291 1 9 . 1 1 7 7 LEU H H 7 7.600 7.600 7.671 -0.071 18335
292 1 9 . 1 1 8 8 THR HA H 8 4.050 4.050 4.480 -0.430 18335
293 1 9 . 1 1 8 8 THR H H 8 7.420 7.420 8.149 -0.729 18335
294 1 9 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.492 -0.452 18335
295 1 9 . 1 1 9 9 ARG H H 9 7.650 7.650 7.922 -0.272 18335
296 1 9 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.632 -0.142 18335
297 1 9 . 1 1 10 10 TRP H H 10 7.940 7.940 7.950 -0.010 18335
298 1 9 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.648 0.302 18335
299 1 9 . 1 1 11 11 ALA H H 11 8.200 8.200 8.107 0.093 18335
300 1 9 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.571 -0.201 18335
301 1 9 . 1 1 12 12 HIS H H 12 7.530 7.530 7.907 -0.377 18335
302 1 9 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.577 -0.557 18335
303 1 9 . 1 1 13 13 TYR H H 13 8.020 8.020 8.023 -0.003 18335
304 1 9 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.306 -0.056 18335
305 1 9 . 1 1 14 14 ASN H H 14 8.180 8.180 7.587 0.593 18335
306 1 9 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.978 0.022 18335
307 1 9 . 1 1 15 15 ALA H H 15 7.770 7.770 8.073 -0.303 18335
308 1 9 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.355 -0.245 18335
309 1 9 . 1 1 16 16 LEU H H 16 7.830 7.830 7.707 0.123 18335
310 1 9 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.169 -0.309 18335
311 1 9 . 1 1 17 17 ILE H H 17 7.520 7.520 7.210 0.310 18335
312 1 9 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.561 -0.501 18335
313 1 9 . 1 1 18 18 ARG H H 18 7.640 7.640 7.757 -0.117 18335
314 1 9 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.354 -0.224 18335
315 1 9 . 1 1 19 19 ALA H H 19 7.590 7.590 8.442 -0.852 18335
316 1 10 . 1 1 2 2 GLY H H 2 8.140 8.140 8.357 -0.217 18335
317 1 10 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.339 -0.299 18335
318 1 10 . 1 1 3 3 LEU H H 3 9.040 9.040 8.251 0.789 18335
319 1 10 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.123 -0.193 18335
320 1 10 . 1 1 4 4 ALA H H 4 8.790 8.790 8.275 0.515 18335
321 1 10 . 1 1 5 5 SER HA H 5 3.900 3.900 4.475 -0.575 18335
322 1 10 . 1 1 5 5 SER H H 5 7.830 7.830 7.987 -0.157 18335
323 1 10 . 1 1 6 6 THR HA H 6 3.900 3.900 4.218 -0.318 18335
324 1 10 . 1 1 6 6 THR H H 6 8.010 8.010 7.456 0.554 18335
325 1 10 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.919 -0.889 18335
326 1 10 . 1 1 7 7 LEU H H 7 7.600 7.600 7.697 -0.097 18335
327 1 10 . 1 1 8 8 THR HA H 8 4.050 4.050 4.442 -0.392 18335
328 1 10 . 1 1 8 8 THR H H 8 7.420 7.420 8.216 -0.796 18335
329 1 10 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.594 -0.554 18335
330 1 10 . 1 1 9 9 ARG H H 9 7.650 7.650 7.879 -0.229 18335
331 1 10 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.627 -0.137 18335
332 1 10 . 1 1 10 10 TRP H H 10 7.940 7.940 8.014 -0.074 18335
333 1 10 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.851 0.099 18335
334 1 10 . 1 1 11 11 ALA H H 11 8.200 8.200 7.726 0.474 18335
335 1 10 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.513 -0.143 18335
336 1 10 . 1 1 12 12 HIS H H 12 7.530 7.530 7.854 -0.324 18335
337 1 10 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.529 -0.509 18335
338 1 10 . 1 1 13 13 TYR H H 13 8.020 8.020 8.176 -0.156 18335
339 1 10 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.396 -0.146 18335
340 1 10 . 1 1 14 14 ASN H H 14 8.180 8.180 7.671 0.509 18335
341 1 10 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.974 0.026 18335
342 1 10 . 1 1 15 15 ALA H H 15 7.770 7.770 8.109 -0.339 18335
343 1 10 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.314 -0.204 18335
344 1 10 . 1 1 16 16 LEU H H 16 7.830 7.830 7.689 0.141 18335
345 1 10 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.997 -0.137 18335
346 1 10 . 1 1 17 17 ILE H H 17 7.520 7.520 7.296 0.224 18335
347 1 10 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.921 0.139 18335
348 1 10 . 1 1 18 18 ARG H H 18 7.640 7.640 7.644 -0.004 18335
349 1 10 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.125 0.005 18335
350 1 10 . 1 1 19 19 ALA H H 19 7.590 7.590 8.678 -1.088 18335
351 1 11 . 1 1 2 2 GLY H H 2 8.140 8.140 8.442 -0.302 18335
352 1 11 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.313 -0.273 18335
353 1 11 . 1 1 3 3 LEU H H 3 9.040 9.040 8.212 0.828 18335
354 1 11 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.120 -0.190 18335
355 1 11 . 1 1 4 4 ALA H H 4 8.790 8.790 8.290 0.500 18335
356 1 11 . 1 1 5 5 SER HA H 5 3.900 3.900 4.525 -0.625 18335
357 1 11 . 1 1 5 5 SER H H 5 7.830 7.830 7.921 -0.091 18335
358 1 11 . 1 1 6 6 THR HA H 6 3.900 3.900 4.192 -0.292 18335
359 1 11 . 1 1 6 6 THR H H 6 8.010 8.010 7.450 0.560 18335
360 1 11 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.991 -0.961 18335
361 1 11 . 1 1 7 7 LEU H H 7 7.600 7.600 7.634 -0.034 18335
362 1 11 . 1 1 8 8 THR HA H 8 4.050 4.050 4.450 -0.400 18335
363 1 11 . 1 1 8 8 THR H H 8 7.420 7.420 8.121 -0.701 18335
364 1 11 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.588 -0.548 18335
365 1 11 . 1 1 9 9 ARG H H 9 7.650 7.650 7.904 -0.254 18335
366 1 11 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.453 0.037 18335
367 1 11 . 1 1 10 10 TRP H H 10 7.940 7.940 7.935 0.005 18335
368 1 11 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.591 0.359 18335
369 1 11 . 1 1 11 11 ALA H H 11 8.200 8.200 7.825 0.375 18335
370 1 11 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.512 -0.142 18335
371 1 11 . 1 1 12 12 HIS H H 12 7.530 7.530 7.902 -0.372 18335
372 1 11 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.289 -0.269 18335
373 1 11 . 1 1 13 13 TYR H H 13 8.020 8.020 7.962 0.058 18335
374 1 11 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.316 -0.066 18335
375 1 11 . 1 1 14 14 ASN H H 14 8.180 8.180 7.742 0.438 18335
376 1 11 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.927 0.073 18335
377 1 11 . 1 1 15 15 ALA H H 15 7.770 7.770 8.092 -0.322 18335
378 1 11 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.212 -0.102 18335
379 1 11 . 1 1 16 16 LEU H H 16 7.830 7.830 7.446 0.384 18335
380 1 11 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.913 -0.053 18335
381 1 11 . 1 1 17 17 ILE H H 17 7.520 7.520 7.224 0.296 18335
382 1 11 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.218 -0.158 18335
383 1 11 . 1 1 18 18 ARG H H 18 7.640 7.640 7.695 -0.055 18335
384 1 11 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.185 -0.055 18335
385 1 11 . 1 1 19 19 ALA H H 19 7.590 7.590 8.630 -1.040 18335
386 1 12 . 1 1 2 2 GLY H H 2 8.140 8.140 8.185 -0.045 18335
387 1 12 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.339 -0.299 18335
388 1 12 . 1 1 3 3 LEU H H 3 9.040 9.040 8.069 0.971 18335
389 1 12 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.074 -0.144 18335
390 1 12 . 1 1 4 4 ALA H H 4 8.790 8.790 8.322 0.468 18335
391 1 12 . 1 1 5 5 SER HA H 5 3.900 3.900 4.542 -0.642 18335
392 1 12 . 1 1 5 5 SER H H 5 7.830 7.830 7.726 0.104 18335
393 1 12 . 1 1 6 6 THR HA H 6 3.900 3.900 4.124 -0.224 18335
394 1 12 . 1 1 6 6 THR H H 6 8.010 8.010 8.292 -0.282 18335
395 1 12 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.664 -0.634 18335
396 1 12 . 1 1 7 7 LEU H H 7 7.600 7.600 7.912 -0.312 18335
397 1 12 . 1 1 8 8 THR HA H 8 4.050 4.050 4.428 -0.378 18335
398 1 12 . 1 1 8 8 THR H H 8 7.420 7.420 8.228 -0.808 18335
399 1 12 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.640 -0.600 18335
400 1 12 . 1 1 9 9 ARG H H 9 7.650 7.650 7.902 -0.252 18335
401 1 12 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.492 -0.002 18335
402 1 12 . 1 1 10 10 TRP H H 10 7.940 7.940 7.987 -0.047 18335
403 1 12 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.672 0.278 18335
404 1 12 . 1 1 11 11 ALA H H 11 8.200 8.200 8.252 -0.052 18335
405 1 12 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.509 -0.139 18335
406 1 12 . 1 1 12 12 HIS H H 12 7.530 7.530 8.063 -0.533 18335
407 1 12 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.241 -0.221 18335
408 1 12 . 1 1 13 13 TYR H H 13 8.020 8.020 7.958 0.062 18335
409 1 12 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.407 -0.157 18335
410 1 12 . 1 1 14 14 ASN H H 14 8.180 8.180 7.744 0.436 18335
411 1 12 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.895 0.105 18335
412 1 12 . 1 1 15 15 ALA H H 15 7.770 7.770 8.039 -0.269 18335
413 1 12 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.324 -0.214 18335
414 1 12 . 1 1 16 16 LEU H H 16 7.830 7.830 7.527 0.303 18335
415 1 12 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.955 -0.095 18335
416 1 12 . 1 1 17 17 ILE H H 17 7.520 7.520 7.243 0.277 18335
417 1 12 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.812 0.248 18335
418 1 12 . 1 1 18 18 ARG H H 18 7.640 7.640 8.236 -0.596 18335
419 1 12 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.087 0.043 18335
420 1 12 . 1 1 19 19 ALA H H 19 7.590 7.590 7.937 -0.347 18335
421 1 13 . 1 1 2 2 GLY H H 2 8.140 8.140 8.205 -0.065 18335
422 1 13 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.324 -0.284 18335
423 1 13 . 1 1 3 3 LEU H H 3 9.040 9.040 8.233 0.807 18335
424 1 13 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.088 -0.158 18335
425 1 13 . 1 1 4 4 ALA H H 4 8.790 8.790 8.297 0.493 18335
426 1 13 . 1 1 5 5 SER HA H 5 3.900 3.900 4.456 -0.556 18335
427 1 13 . 1 1 5 5 SER H H 5 7.830 7.830 7.868 -0.038 18335
428 1 13 . 1 1 6 6 THR HA H 6 3.900 3.900 4.206 -0.306 18335
429 1 13 . 1 1 6 6 THR H H 6 8.010 8.010 7.439 0.571 18335
430 1 13 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.907 -0.877 18335
431 1 13 . 1 1 7 7 LEU H H 7 7.600 7.600 7.723 -0.123 18335
432 1 13 . 1 1 8 8 THR HA H 8 4.050 4.050 4.342 -0.292 18335
433 1 13 . 1 1 8 8 THR H H 8 7.420 7.420 8.165 -0.745 18335
434 1 13 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.467 -0.427 18335
435 1 13 . 1 1 9 9 ARG H H 9 7.650 7.650 7.884 -0.234 18335
436 1 13 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.559 -0.069 18335
437 1 13 . 1 1 10 10 TRP H H 10 7.940 7.940 8.013 -0.073 18335
438 1 13 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.677 0.273 18335
439 1 13 . 1 1 11 11 ALA H H 11 8.200 8.200 7.893 0.307 18335
440 1 13 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.444 -0.074 18335
441 1 13 . 1 1 12 12 HIS H H 12 7.530 7.530 8.311 -0.781 18335
442 1 13 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.183 -0.163 18335
443 1 13 . 1 1 13 13 TYR H H 13 8.020 8.020 7.756 0.264 18335
444 1 13 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.495 -0.245 18335
445 1 13 . 1 1 14 14 ASN H H 14 8.180 8.180 7.458 0.722 18335
446 1 13 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.972 0.028 18335
447 1 13 . 1 1 15 15 ALA H H 15 7.770 7.770 8.199 -0.429 18335
448 1 13 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.279 -0.169 18335
449 1 13 . 1 1 16 16 LEU H H 16 7.830 7.830 7.293 0.537 18335
450 1 13 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.969 -0.109 18335
451 1 13 . 1 1 17 17 ILE H H 17 7.520 7.520 7.424 0.096 18335
452 1 13 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.939 0.121 18335
453 1 13 . 1 1 18 18 ARG H H 18 7.640 7.640 7.557 0.083 18335
454 1 13 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.418 -0.288 18335
455 1 13 . 1 1 19 19 ALA H H 19 7.590 7.590 7.707 -0.117 18335
456 1 14 . 1 1 2 2 GLY H H 2 8.140 8.140 8.263 -0.123 18335
457 1 14 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.315 -0.275 18335
458 1 14 . 1 1 3 3 LEU H H 3 9.040 9.040 8.230 0.810 18335
459 1 14 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.064 -0.134 18335
460 1 14 . 1 1 4 4 ALA H H 4 8.790 8.790 8.284 0.506 18335
461 1 14 . 1 1 5 5 SER HA H 5 3.900 3.900 4.401 -0.501 18335
462 1 14 . 1 1 5 5 SER H H 5 7.830 7.830 7.771 0.059 18335
463 1 14 . 1 1 6 6 THR HA H 6 3.900 3.900 4.111 -0.211 18335
464 1 14 . 1 1 6 6 THR H H 6 8.010 8.010 7.724 0.286 18335
465 1 14 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.605 -0.575 18335
466 1 14 . 1 1 7 7 LEU H H 7 7.600 7.600 7.771 -0.171 18335
467 1 14 . 1 1 8 8 THR HA H 8 4.050 4.050 4.403 -0.353 18335
468 1 14 . 1 1 8 8 THR H H 8 7.420 7.420 8.328 -0.908 18335
469 1 14 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.567 -0.527 18335
470 1 14 . 1 1 9 9 ARG H H 9 7.650 7.650 7.879 -0.229 18335
471 1 14 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.417 0.073 18335
472 1 14 . 1 1 10 10 TRP H H 10 7.940 7.940 7.907 0.033 18335
473 1 14 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.655 0.295 18335
474 1 14 . 1 1 11 11 ALA H H 11 8.200 8.200 8.271 -0.071 18335
475 1 14 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.583 -0.213 18335
476 1 14 . 1 1 12 12 HIS H H 12 7.530 7.530 8.009 -0.479 18335
477 1 14 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.473 -0.453 18335
478 1 14 . 1 1 13 13 TYR H H 13 8.020 8.020 8.052 -0.032 18335
479 1 14 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.461 -0.211 18335
480 1 14 . 1 1 14 14 ASN H H 14 8.180 8.180 7.656 0.524 18335
481 1 14 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.919 0.081 18335
482 1 14 . 1 1 15 15 ALA H H 15 7.770 7.770 8.119 -0.349 18335
483 1 14 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.359 -0.249 18335
484 1 14 . 1 1 16 16 LEU H H 16 7.830 7.830 7.519 0.311 18335
485 1 14 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.960 -0.100 18335
486 1 14 . 1 1 17 17 ILE H H 17 7.520 7.520 7.339 0.181 18335
487 1 14 . 1 1 18 18 ARG HA H 18 4.060 4.060 3.813 0.247 18335
488 1 14 . 1 1 18 18 ARG H H 18 7.640 7.640 7.887 -0.247 18335
489 1 14 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.134 -0.004 18335
490 1 14 . 1 1 19 19 ALA H H 19 7.590 7.590 8.079 -0.489 18335
491 1 15 . 1 1 2 2 GLY H H 2 8.140 8.140 8.229 -0.089 18335
492 1 15 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.370 -0.330 18335
493 1 15 . 1 1 3 3 LEU H H 3 9.040 9.040 8.286 0.754 18335
494 1 15 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.008 -0.078 18335
495 1 15 . 1 1 4 4 ALA H H 4 8.790 8.790 7.914 0.876 18335
496 1 15 . 1 1 5 5 SER HA H 5 3.900 3.900 4.480 -0.580 18335
497 1 15 . 1 1 5 5 SER H H 5 7.830 7.830 7.945 -0.115 18335
498 1 15 . 1 1 6 6 THR HA H 6 3.900 3.900 4.020 -0.120 18335
499 1 15 . 1 1 6 6 THR H H 6 8.010 8.010 7.853 0.157 18335
500 1 15 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.598 -0.568 18335
501 1 15 . 1 1 7 7 LEU H H 7 7.600 7.600 7.597 0.003 18335
502 1 15 . 1 1 8 8 THR HA H 8 4.050 4.050 4.169 -0.119 18335
503 1 15 . 1 1 8 8 THR H H 8 7.420 7.420 8.138 -0.718 18335
504 1 15 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.635 -0.595 18335
505 1 15 . 1 1 9 9 ARG H H 9 7.650 7.650 7.751 -0.101 18335
506 1 15 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.355 0.135 18335
507 1 15 . 1 1 10 10 TRP H H 10 7.940 7.940 7.868 0.072 18335
508 1 15 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.536 0.414 18335
509 1 15 . 1 1 11 11 ALA H H 11 8.200 8.200 7.423 0.777 18335
510 1 15 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.731 -0.361 18335
511 1 15 . 1 1 12 12 HIS H H 12 7.530 7.530 7.830 -0.300 18335
512 1 15 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.504 -0.484 18335
513 1 15 . 1 1 13 13 TYR H H 13 8.020 8.020 8.075 -0.055 18335
514 1 15 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.228 0.022 18335
515 1 15 . 1 1 14 14 ASN H H 14 8.180 8.180 7.747 0.433 18335
516 1 15 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.986 0.014 18335
517 1 15 . 1 1 15 15 ALA H H 15 7.770 7.770 8.096 -0.326 18335
518 1 15 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.381 -0.271 18335
519 1 15 . 1 1 16 16 LEU H H 16 7.830 7.830 7.611 0.219 18335
520 1 15 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.130 -0.270 18335
521 1 15 . 1 1 17 17 ILE H H 17 7.520 7.520 7.209 0.311 18335
522 1 15 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.191 -0.131 18335
523 1 15 . 1 1 18 18 ARG H H 18 7.640 7.640 7.639 0.001 18335
524 1 15 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.148 -0.018 18335
525 1 15 . 1 1 19 19 ALA H H 19 7.590 7.590 8.482 -0.892 18335
526 1 16 . 1 1 2 2 GLY H H 2 8.140 8.140 8.521 -0.381 18335
527 1 16 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.341 -0.301 18335
528 1 16 . 1 1 3 3 LEU H H 3 9.040 9.040 8.231 0.809 18335
529 1 16 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.118 -0.188 18335
530 1 16 . 1 1 4 4 ALA H H 4 8.790 8.790 8.281 0.509 18335
531 1 16 . 1 1 5 5 SER HA H 5 3.900 3.900 4.529 -0.629 18335
532 1 16 . 1 1 5 5 SER H H 5 7.830 7.830 7.952 -0.122 18335
533 1 16 . 1 1 6 6 THR HA H 6 3.900 3.900 4.165 -0.265 18335
534 1 16 . 1 1 6 6 THR H H 6 8.010 8.010 7.499 0.511 18335
535 1 16 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.606 -0.576 18335
536 1 16 . 1 1 7 7 LEU H H 7 7.600 7.600 7.741 -0.141 18335
537 1 16 . 1 1 8 8 THR HA H 8 4.050 4.050 4.297 -0.247 18335
538 1 16 . 1 1 8 8 THR H H 8 7.420 7.420 8.178 -0.758 18335
539 1 16 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.483 -0.443 18335
540 1 16 . 1 1 9 9 ARG H H 9 7.650 7.650 7.797 -0.147 18335
541 1 16 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.415 0.075 18335
542 1 16 . 1 1 10 10 TRP H H 10 7.940 7.940 8.195 -0.255 18335
543 1 16 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.802 0.148 18335
544 1 16 . 1 1 11 11 ALA H H 11 8.200 8.200 7.503 0.697 18335
545 1 16 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.602 -0.232 18335
546 1 16 . 1 1 12 12 HIS H H 12 7.530 7.530 7.963 -0.433 18335
547 1 16 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.538 -0.518 18335
548 1 16 . 1 1 13 13 TYR H H 13 8.020 8.020 8.294 -0.274 18335
549 1 16 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.368 -0.118 18335
550 1 16 . 1 1 14 14 ASN H H 14 8.180 8.180 7.788 0.392 18335
551 1 16 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.919 0.081 18335
552 1 16 . 1 1 15 15 ALA H H 15 7.770 7.770 8.183 -0.413 18335
553 1 16 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.218 -0.108 18335
554 1 16 . 1 1 16 16 LEU H H 16 7.830 7.830 7.549 0.281 18335
555 1 16 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.956 -0.096 18335
556 1 16 . 1 1 17 17 ILE H H 17 7.520 7.520 7.501 0.019 18335
557 1 16 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.438 -0.378 18335
558 1 16 . 1 1 18 18 ARG H H 18 7.640 7.640 8.010 -0.370 18335
559 1 16 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.112 0.018 18335
560 1 16 . 1 1 19 19 ALA H H 19 7.590 7.590 8.169 -0.579 18335
561 1 17 . 1 1 2 2 GLY H H 2 8.140 8.140 8.211 -0.071 18335
562 1 17 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.389 -0.349 18335
563 1 17 . 1 1 3 3 LEU H H 3 9.040 9.040 8.303 0.737 18335
564 1 17 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.001 -0.071 18335
565 1 17 . 1 1 4 4 ALA H H 4 8.790 8.790 7.991 0.799 18335
566 1 17 . 1 1 5 5 SER HA H 5 3.900 3.900 4.435 -0.535 18335
567 1 17 . 1 1 5 5 SER H H 5 7.830 7.830 7.879 -0.049 18335
568 1 17 . 1 1 6 6 THR HA H 6 3.900 3.900 4.101 -0.201 18335
569 1 17 . 1 1 6 6 THR H H 6 8.010 8.010 8.028 -0.018 18335
570 1 17 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.728 -0.698 18335
571 1 17 . 1 1 7 7 LEU H H 7 7.600 7.600 8.155 -0.555 18335
572 1 17 . 1 1 8 8 THR HA H 8 4.050 4.050 4.411 -0.361 18335
573 1 17 . 1 1 8 8 THR H H 8 7.420 7.420 8.164 -0.744 18335
574 1 17 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.556 -0.516 18335
575 1 17 . 1 1 9 9 ARG H H 9 7.650 7.650 7.953 -0.303 18335
576 1 17 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.346 0.144 18335
577 1 17 . 1 1 10 10 TRP H H 10 7.940 7.940 7.801 0.139 18335
578 1 17 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.553 0.397 18335
579 1 17 . 1 1 11 11 ALA H H 11 8.200 8.200 8.193 0.007 18335
580 1 17 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.399 -0.029 18335
581 1 17 . 1 1 12 12 HIS H H 12 7.530 7.530 8.194 -0.664 18335
582 1 17 . 1 1 13 13 TYR HA H 13 4.020 4.020 3.842 0.178 18335
583 1 17 . 1 1 13 13 TYR H H 13 8.020 8.020 7.453 0.567 18335
584 1 17 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.009 0.241 18335
585 1 17 . 1 1 14 14 ASN H H 14 8.180 8.180 8.124 0.056 18335
586 1 17 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.957 0.043 18335
587 1 17 . 1 1 15 15 ALA H H 15 7.770 7.770 7.582 0.188 18335
588 1 17 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.275 -0.165 18335
589 1 17 . 1 1 16 16 LEU H H 16 7.830 7.830 7.550 0.280 18335
590 1 17 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.809 0.051 18335
591 1 17 . 1 1 17 17 ILE H H 17 7.520 7.520 7.836 -0.316 18335
592 1 17 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.077 -0.017 18335
593 1 17 . 1 1 18 18 ARG H H 18 7.640 7.640 7.371 0.269 18335
594 1 17 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.093 0.037 18335
595 1 17 . 1 1 19 19 ALA H H 19 7.590 7.590 8.511 -0.921 18335
596 1 18 . 1 1 2 2 GLY H H 2 8.140 8.140 8.128 0.012 18335
597 1 18 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.487 -0.447 18335
598 1 18 . 1 1 3 3 LEU H H 3 9.040 9.040 8.329 0.711 18335
599 1 18 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.114 -0.184 18335
600 1 18 . 1 1 4 4 ALA H H 4 8.790 8.790 8.363 0.427 18335
601 1 18 . 1 1 5 5 SER HA H 5 3.900 3.900 4.331 -0.431 18335
602 1 18 . 1 1 5 5 SER H H 5 7.830 7.830 7.763 0.067 18335
603 1 18 . 1 1 6 6 THR HA H 6 3.900 3.900 4.078 -0.178 18335
604 1 18 . 1 1 6 6 THR H H 6 8.010 8.010 8.067 -0.057 18335
605 1 18 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.740 -0.710 18335
606 1 18 . 1 1 7 7 LEU H H 7 7.600 7.600 8.094 -0.494 18335
607 1 18 . 1 1 8 8 THR HA H 8 4.050 4.050 4.387 -0.337 18335
608 1 18 . 1 1 8 8 THR H H 8 7.420 7.420 8.546 -1.126 18335
609 1 18 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.553 -0.513 18335
610 1 18 . 1 1 9 9 ARG H H 9 7.650 7.650 7.875 -0.225 18335
611 1 18 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.520 -0.030 18335
612 1 18 . 1 1 10 10 TRP H H 10 7.940 7.940 7.885 0.055 18335
613 1 18 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.783 0.167 18335
614 1 18 . 1 1 11 11 ALA H H 11 8.200 8.200 8.259 -0.059 18335
615 1 18 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.555 -0.185 18335
616 1 18 . 1 1 12 12 HIS H H 12 7.530 7.530 8.230 -0.701 18335
617 1 18 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.494 -0.474 18335
618 1 18 . 1 1 13 13 TYR H H 13 8.020 8.020 8.011 0.009 18335
619 1 18 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.439 -0.189 18335
620 1 18 . 1 1 14 14 ASN H H 14 8.180 8.180 8.252 -0.072 18335
621 1 18 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.921 0.079 18335
622 1 18 . 1 1 15 15 ALA H H 15 7.770 7.770 7.740 0.030 18335
623 1 18 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.331 -0.221 18335
624 1 18 . 1 1 16 16 LEU H H 16 7.830 7.830 7.343 0.487 18335
625 1 18 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.093 -0.233 18335
626 1 18 . 1 1 17 17 ILE H H 17 7.520 7.520 7.240 0.280 18335
627 1 18 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.404 -0.344 18335
628 1 18 . 1 1 18 18 ARG H H 18 7.640 7.640 7.692 -0.052 18335
629 1 18 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.618 -0.488 18335
630 1 18 . 1 1 19 19 ALA H H 19 7.590 7.590 8.444 -0.854 18335
631 1 19 . 1 1 2 2 GLY H H 2 8.140 8.140 7.998 0.142 18335
632 1 19 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.454 -0.414 18335
633 1 19 . 1 1 3 3 LEU H H 3 9.040 9.040 8.183 0.857 18335
634 1 19 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.099 -0.169 18335
635 1 19 . 1 1 4 4 ALA H H 4 8.790 8.790 8.334 0.456 18335
636 1 19 . 1 1 5 5 SER HA H 5 3.900 3.900 4.399 -0.499 18335
637 1 19 . 1 1 5 5 SER H H 5 7.830 7.830 7.896 -0.066 18335
638 1 19 . 1 1 6 6 THR HA H 6 3.900 3.900 4.106 -0.206 18335
639 1 19 . 1 1 6 6 THR H H 6 8.010 8.010 8.094 -0.084 18335
640 1 19 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.977 -0.947 18335
641 1 19 . 1 1 7 7 LEU H H 7 7.600 7.600 7.966 -0.366 18335
642 1 19 . 1 1 8 8 THR HA H 8 4.050 4.050 4.368 -0.318 18335
643 1 19 . 1 1 8 8 THR H H 8 7.420 7.420 8.210 -0.790 18335
644 1 19 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.469 -0.429 18335
645 1 19 . 1 1 9 9 ARG H H 9 7.650 7.650 7.878 -0.228 18335
646 1 19 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.421 0.069 18335
647 1 19 . 1 1 10 10 TRP H H 10 7.940 7.940 7.877 0.063 18335
648 1 19 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.717 0.233 18335
649 1 19 . 1 1 11 11 ALA H H 11 8.200 8.200 7.957 0.243 18335
650 1 19 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.612 -0.242 18335
651 1 19 . 1 1 12 12 HIS H H 12 7.530 7.530 8.025 -0.495 18335
652 1 19 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.524 -0.504 18335
653 1 19 . 1 1 13 13 TYR H H 13 8.020 8.020 8.002 0.018 18335
654 1 19 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.377 -0.127 18335
655 1 19 . 1 1 14 14 ASN H H 14 8.180 8.180 7.803 0.377 18335
656 1 19 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.946 0.054 18335
657 1 19 . 1 1 15 15 ALA H H 15 7.770 7.770 8.213 -0.443 18335
658 1 19 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.302 -0.192 18335
659 1 19 . 1 1 16 16 LEU H H 16 7.830 7.830 7.618 0.212 18335
660 1 19 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.007 -0.147 18335
661 1 19 . 1 1 17 17 ILE H H 17 7.520 7.520 7.211 0.309 18335
662 1 19 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.282 -0.222 18335
663 1 19 . 1 1 18 18 ARG H H 18 7.640 7.640 7.633 0.007 18335
664 1 19 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.562 -0.432 18335
665 1 19 . 1 1 19 19 ALA H H 19 7.590 7.590 8.271 -0.681 18335
666 1 20 . 1 1 2 2 GLY H H 2 8.140 8.140 8.150 -0.010 18335
667 1 20 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.490 -0.450 18335
668 1 20 . 1 1 3 3 LEU H H 3 9.040 9.040 8.219 0.821 18335
669 1 20 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.027 -0.097 18335
670 1 20 . 1 1 4 4 ALA H H 4 8.790 8.790 8.108 0.682 18335
671 1 20 . 1 1 5 5 SER HA H 5 3.900 3.900 4.413 -0.513 18335
672 1 20 . 1 1 5 5 SER H H 5 7.830 7.830 7.787 0.043 18335
673 1 20 . 1 1 6 6 THR HA H 6 3.900 3.900 4.090 -0.190 18335
674 1 20 . 1 1 6 6 THR H H 6 8.010 8.010 8.058 -0.048 18335
675 1 20 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.737 -0.707 18335
676 1 20 . 1 1 7 7 LEU H H 7 7.600 7.600 8.139 -0.539 18335
677 1 20 . 1 1 8 8 THR HA H 8 4.050 4.050 4.417 -0.367 18335
678 1 20 . 1 1 8 8 THR H H 8 7.420 7.420 8.200 -0.780 18335
679 1 20 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.623 -0.583 18335
680 1 20 . 1 1 9 9 ARG H H 9 7.650 7.650 7.896 -0.246 18335
681 1 20 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.399 0.091 18335
682 1 20 . 1 1 10 10 TRP H H 10 7.940 7.940 7.906 0.034 18335
683 1 20 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.715 0.235 18335
684 1 20 . 1 1 11 11 ALA H H 11 8.200 8.200 8.185 0.015 18335
685 1 20 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.557 -0.187 18335
686 1 20 . 1 1 12 12 HIS H H 12 7.530 7.530 8.076 -0.546 18335
687 1 20 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.307 -0.287 18335
688 1 20 . 1 1 13 13 TYR H H 13 8.020 8.020 7.928 0.092 18335
689 1 20 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.485 -0.235 18335
690 1 20 . 1 1 14 14 ASN H H 14 8.180 8.180 7.756 0.424 18335
691 1 20 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.929 0.071 18335
692 1 20 . 1 1 15 15 ALA H H 15 7.770 7.770 7.681 0.089 18335
693 1 20 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.399 -0.289 18335
694 1 20 . 1 1 16 16 LEU H H 16 7.830 7.830 7.287 0.543 18335
695 1 20 . 1 1 17 17 ILE HA H 17 3.860 3.860 3.968 -0.108 18335
696 1 20 . 1 1 17 17 ILE H H 17 7.520 7.520 7.106 0.414 18335
697 1 20 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.269 -0.209 18335
698 1 20 . 1 1 18 18 ARG H H 18 7.640 7.640 7.678 -0.038 18335
699 1 20 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.481 -0.351 18335
700 1 20 . 1 1 19 19 ALA H H 19 7.590 7.590 8.631 -1.041 18335
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 0 0.000 0.000 0.000 18335
2 1 1 "Average Difference" HA 19 0.326 0.182 0.278 18335
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18335
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18335
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18335
6 1 1 "Average Difference" HN 18 0.429 0.019 0.441 18335
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18335
8 1 2 "Average Difference" HA 19 0.300 0.171 0.254 18335
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18335
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18335
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18335
12 1 2 "Average Difference" HN 18 0.539 0.037 0.553 18335
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18335
14 1 3 "Average Difference" HA 19 0.321 0.226 0.234 18335
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18335
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18335
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18335
18 1 3 "Average Difference" HN 18 0.426 0.077 0.431 18335
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18335
20 1 4 "Average Difference" HA 19 0.360 0.218 0.294 18335
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18335
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18335
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18335
24 1 4 "Average Difference" HN 18 0.462 -0.002 0.476 18335
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18335
26 1 5 "Average Difference" HA 19 0.351 0.210 0.290 18335
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18335
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18335
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18335
30 1 5 "Average Difference" HN 18 0.467 0.083 0.473 18335
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18335
32 1 6 "Average Difference" HA 19 0.356 0.183 0.314 18335
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18335
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18335
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18335
36 1 6 "Average Difference" HN 18 0.406 0.039 0.416 18335
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18335
38 1 7 "Average Difference" HA 19 0.346 0.188 0.298 18335
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18335
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18335
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18335
42 1 7 "Average Difference" HN 18 0.414 0.013 0.426 18335
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18335
44 1 8 "Average Difference" HA 19 0.367 0.193 0.321 18335
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18335
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18335
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18335
48 1 8 "Average Difference" HN 18 0.433 0.082 0.437 18335
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18335
50 1 9 "Average Difference" HA 19 0.360 0.240 0.276 18335
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18335
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18335
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18335
54 1 9 "Average Difference" HN 18 0.404 0.053 0.412 18335
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18335
56 1 10 "Average Difference" HA 19 0.353 0.202 0.297 18335
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18335
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18335
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18335
60 1 10 "Average Difference" HN 18 0.468 0.015 0.482 18335
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18335
62 1 11 "Average Difference" HA 19 0.359 0.166 0.327 18335
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18335
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18335
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18335
66 1 11 "Average Difference" HN 18 0.460 -0.015 0.473 18335
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18335
68 1 12 "Average Difference" HA 19 0.323 0.131 0.303 18335
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18335
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18335
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18335
72 1 12 "Average Difference" HN 18 0.426 0.051 0.435 18335
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18335
74 1 13 "Average Difference" HA 19 0.324 0.171 0.282 18335
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18335
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18335
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18335
78 1 13 "Average Difference" HN 18 0.451 -0.071 0.458 18335
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18335
80 1 14 "Average Difference" HA 19 0.305 0.147 0.274 18335
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18335
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18335
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18335
84 1 14 "Average Difference" HN 18 0.407 0.022 0.418 18335
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18335
86 1 15 "Average Difference" HA 19 0.328 0.153 0.297 18335
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18335
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18335
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18335
90 1 15 "Average Difference" HN 18 0.462 -0.056 0.472 18335
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18335
92 1 16 "Average Difference" HA 19 0.310 0.183 0.257 18335
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18335
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18335
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18335
96 1 16 "Average Difference" HN 18 0.450 0.036 0.461 18335
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18335
98 1 17 "Average Difference" HA 19 0.304 0.082 0.300 18335
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18335
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18335
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18335
102 1 17 "Average Difference" HN 18 0.475 0.033 0.488 18335
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18335
104 1 18 "Average Difference" HA 19 0.345 0.229 0.265 18335
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18335
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18335
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18335
108 1 18 "Average Difference" HN 18 0.460 0.087 0.465 18335
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18335
110 1 19 "Average Difference" HA 19 0.358 0.232 0.281 18335
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18335
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18335
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18335
114 1 19 "Average Difference" HN 18 0.411 0.026 0.422 18335
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18335
116 1 20 "Average Difference" HA 19 0.333 0.204 0.270 18335
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18335
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18335
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18335
120 1 20 "Average Difference" HN 18 0.480 0.005 0.494 18335
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 18335
_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 GLY H H 2 8.140 8.140 8.241 -0.101 18335
2 1 . 1 1 3 3 LEU HA H 3 4.040 4.040 4.368 -0.328 18335
3 1 . 1 1 3 3 LEU H H 3 9.040 9.040 8.232 0.808 18335
4 1 . 1 1 4 4 ALA HA H 4 3.930 3.930 4.076 -0.146 18335
5 1 . 1 1 4 4 ALA H H 4 8.790 8.790 8.202 0.588 18335
6 1 . 1 1 5 5 SER HA H 5 3.900 3.900 4.491 -0.591 18335
7 1 . 1 1 5 5 SER H H 5 7.830 7.830 7.874 -0.044 18335
8 1 . 1 1 6 6 THR HA H 6 3.900 3.900 4.113 -0.213 18335
9 1 . 1 1 6 6 THR H H 6 8.010 8.010 7.904 0.106 18335
10 1 . 1 1 7 7 LEU HA H 7 4.030 4.030 4.751 -0.721 18335
11 1 . 1 1 7 7 LEU H H 7 7.600 7.600 7.791 -0.191 18335
12 1 . 1 1 8 8 THR HA H 8 4.050 4.050 4.382 -0.332 18335
13 1 . 1 1 8 8 THR H H 8 7.420 7.420 8.224 -0.804 18335
14 1 . 1 1 9 9 ARG HA H 9 4.040 4.040 4.543 -0.503 18335
15 1 . 1 1 9 9 ARG H H 9 7.650 7.650 7.858 -0.208 18335
16 1 . 1 1 10 10 TRP HA H 10 4.490 4.490 4.447 0.043 18335
17 1 . 1 1 10 10 TRP H H 10 7.940 7.940 7.930 0.010 18335
18 1 . 1 1 11 11 ALA HA H 11 3.950 3.950 3.699 0.251 18335
19 1 . 1 1 11 11 ALA H H 11 8.200 8.200 8.015 0.185 18335
20 1 . 1 1 12 12 HIS HA H 12 4.370 4.370 4.564 -0.194 18335
21 1 . 1 1 12 12 HIS H H 12 7.530 7.530 8.017 -0.487 18335
22 1 . 1 1 13 13 TYR HA H 13 4.020 4.020 4.413 -0.393 18335
23 1 . 1 1 13 13 TYR H H 13 8.020 8.020 7.997 0.023 18335
24 1 . 1 1 14 14 ASN HA H 14 4.250 4.250 4.352 -0.102 18335
25 1 . 1 1 14 14 ASN H H 14 8.180 8.180 7.778 0.402 18335
26 1 . 1 1 15 15 ALA HA H 15 4.000 4.000 3.953 0.047 18335
27 1 . 1 1 15 15 ALA H H 15 7.770 7.770 8.058 -0.288 18335
28 1 . 1 1 16 16 LEU HA H 16 4.110 4.110 4.319 -0.210 18335
29 1 . 1 1 16 16 LEU H H 16 7.830 7.830 7.533 0.297 18335
30 1 . 1 1 17 17 ILE HA H 17 3.860 3.860 4.025 -0.165 18335
31 1 . 1 1 17 17 ILE H H 17 7.520 7.520 7.390 0.130 18335
32 1 . 1 1 18 18 ARG HA H 18 4.060 4.060 4.161 -0.101 18335
33 1 . 1 1 18 18 ARG H H 18 7.640 7.640 7.764 -0.124 18335
34 1 . 1 1 19 19 ALA HA H 19 4.130 4.130 4.333 -0.203 18335
35 1 . 1 1 19 19 ALA H H 19 7.590 7.590 8.373 -0.783 18335
stop_
save_