data_19437
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19437
_Entry.PDB_ID 2MCE
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 19437
_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 ALA HA H 2 4.370 4.370 4.364 0.006 19437
2 1 1 . 1 1 2 2 ALA H H 2 8.690 8.690 8.510 0.180 19437
3 1 1 . 1 1 3 3 GLY H H 3 8.340 8.340 8.671 -0.331 19437
4 1 1 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.476 0.274 19437
5 1 1 . 1 1 4 4 HIS H H 4 8.340 8.340 8.048 0.292 19437
6 1 1 . 1 1 5 5 GLY H H 5 8.520 8.520 7.870 0.650 19437
7 1 1 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.092 0.278 19437
8 1 1 . 1 1 6 6 GLN H H 6 8.280 8.280 7.339 0.941 19437
9 1 1 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.017 0.153 19437
10 1 1 . 1 1 7 7 ILE H H 7 8.230 8.230 7.308 0.922 19437
11 1 1 . 1 1 8 8 SER HA H 8 4.410 4.410 4.296 0.114 19437
12 1 1 . 1 1 8 8 SER H H 8 8.300 8.300 7.407 0.893 19437
13 1 1 . 1 1 9 9 HIS HA H 9 4.740 4.740 3.834 0.906 19437
14 1 1 . 1 1 9 9 HIS H H 9 8.550 8.550 7.565 0.985 19437
15 1 1 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.173 0.107 19437
16 1 1 . 1 1 10 10 LYS H H 10 8.260 8.260 7.591 0.669 19437
17 1 1 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.373 -0.073 19437
18 1 1 . 1 1 11 11 ARG H H 11 8.370 8.370 7.865 0.505 19437
19 1 1 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.906 -0.156 19437
20 1 1 . 1 1 12 12 HIS H H 12 8.570 8.570 8.024 0.546 19437
21 1 1 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.217 0.123 19437
22 1 1 . 1 1 13 13 LYS H H 13 8.650 8.650 7.554 1.096 19437
23 1 1 . 1 1 14 14 THR HA H 14 4.300 4.300 4.459 -0.159 19437
24 1 1 . 1 1 14 14 THR H H 14 8.190 8.190 7.577 0.613 19437
25 1 1 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.576 0.084 19437
26 1 1 . 1 1 15 15 ASP H H 15 8.370 8.370 7.637 0.733 19437
27 1 1 . 1 1 16 16 SER HA H 16 4.430 4.430 4.322 0.108 19437
28 1 1 . 1 1 16 16 SER H H 16 8.090 8.090 7.622 0.468 19437
29 1 1 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.410 0.039 19437
30 1 1 . 1 1 17 17 PHE H H 17 8.520 8.520 7.697 0.823 19437
31 1 1 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.876 -0.026 19437
32 1 1 . 1 1 18 18 VAL H H 18 7.930 7.930 7.325 0.605 19437
33 1 1 . 1 1 19 19 GLY H H 19 8.220 8.220 7.680 0.540 19437
34 1 1 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.444 -0.224 19437
35 1 1 . 1 1 20 20 LEU H H 20 7.850 7.850 7.641 0.209 19437
36 1 2 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.298 0.072 19437
37 1 2 . 1 1 2 2 ALA H H 2 8.690 8.690 8.618 0.072 19437
38 1 2 . 1 1 3 3 GLY H H 3 8.340 8.340 8.850 -0.510 19437
39 1 2 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.372 0.378 19437
40 1 2 . 1 1 4 4 HIS H H 4 8.340 8.340 7.668 0.672 19437
41 1 2 . 1 1 5 5 GLY H H 5 8.520 8.520 7.896 0.624 19437
42 1 2 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.186 0.184 19437
43 1 2 . 1 1 6 6 GLN H H 6 8.280 8.280 8.392 -0.112 19437
44 1 2 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.894 0.276 19437
45 1 2 . 1 1 7 7 ILE H H 7 8.230 8.230 7.506 0.724 19437
46 1 2 . 1 1 8 8 SER HA H 8 4.410 4.410 4.289 0.121 19437
47 1 2 . 1 1 8 8 SER H H 8 8.300 8.300 8.312 -0.012 19437
48 1 2 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.704 0.036 19437
49 1 2 . 1 1 9 9 HIS H H 9 8.550 8.550 8.175 0.375 19437
50 1 2 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.108 0.172 19437
51 1 2 . 1 1 10 10 LYS H H 10 8.260 8.260 7.965 0.295 19437
52 1 2 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.125 0.175 19437
53 1 2 . 1 1 11 11 ARG H H 11 8.370 8.370 7.560 0.810 19437
54 1 2 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.597 0.153 19437
55 1 2 . 1 1 12 12 HIS H H 12 8.570 8.570 8.170 0.400 19437
56 1 2 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.161 0.179 19437
57 1 2 . 1 1 13 13 LYS H H 13 8.650 8.650 7.880 0.770 19437
58 1 2 . 1 1 14 14 THR HA H 14 4.300 4.300 4.006 0.294 19437
59 1 2 . 1 1 14 14 THR H H 14 8.190 8.190 7.557 0.633 19437
60 1 2 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.603 0.057 19437
61 1 2 . 1 1 15 15 ASP H H 15 8.370 8.370 7.643 0.727 19437
62 1 2 . 1 1 16 16 SER HA H 16 4.430 4.430 4.382 0.048 19437
63 1 2 . 1 1 16 16 SER H H 16 8.090 8.090 7.583 0.507 19437
64 1 2 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.436 0.014 19437
65 1 2 . 1 1 17 17 PHE H H 17 8.520 8.520 7.800 0.720 19437
66 1 2 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.918 -0.068 19437
67 1 2 . 1 1 18 18 VAL H H 18 7.930 7.930 7.249 0.681 19437
68 1 2 . 1 1 19 19 GLY H H 19 8.220 8.220 7.775 0.445 19437
69 1 2 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.436 -0.216 19437
70 1 2 . 1 1 20 20 LEU H H 20 7.850 7.850 7.523 0.327 19437
71 1 3 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.573 -0.203 19437
72 1 3 . 1 1 2 2 ALA H H 2 8.690 8.690 8.478 0.212 19437
73 1 3 . 1 1 3 3 GLY H H 3 8.340 8.340 8.461 -0.121 19437
74 1 3 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.413 0.337 19437
75 1 3 . 1 1 4 4 HIS H H 4 8.340 8.340 7.753 0.587 19437
76 1 3 . 1 1 5 5 GLY H H 5 8.520 8.520 7.902 0.618 19437
77 1 3 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.095 0.275 19437
78 1 3 . 1 1 6 6 GLN H H 6 8.280 8.280 7.643 0.637 19437
79 1 3 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.029 0.141 19437
80 1 3 . 1 1 7 7 ILE H H 7 8.230 8.230 7.500 0.730 19437
81 1 3 . 1 1 8 8 SER HA H 8 4.410 4.410 4.314 0.096 19437
82 1 3 . 1 1 8 8 SER H H 8 8.300 8.300 7.647 0.653 19437
83 1 3 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.118 0.622 19437
84 1 3 . 1 1 9 9 HIS H H 9 8.550 8.550 7.661 0.889 19437
85 1 3 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.122 0.158 19437
86 1 3 . 1 1 10 10 LYS H H 10 8.260 8.260 7.808 0.452 19437
87 1 3 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.262 0.038 19437
88 1 3 . 1 1 11 11 ARG H H 11 8.370 8.370 7.942 0.428 19437
89 1 3 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.667 0.083 19437
90 1 3 . 1 1 12 12 HIS H H 12 8.570 8.570 8.092 0.478 19437
91 1 3 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.120 0.220 19437
92 1 3 . 1 1 13 13 LYS H H 13 8.650 8.650 7.631 1.019 19437
93 1 3 . 1 1 14 14 THR HA H 14 4.300 4.300 3.886 0.414 19437
94 1 3 . 1 1 14 14 THR H H 14 8.190 8.190 7.830 0.360 19437
95 1 3 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.573 0.087 19437
96 1 3 . 1 1 15 15 ASP H H 15 8.370 8.370 7.877 0.493 19437
97 1 3 . 1 1 16 16 SER HA H 16 4.430 4.430 4.362 0.068 19437
98 1 3 . 1 1 16 16 SER H H 16 8.090 8.090 7.506 0.584 19437
99 1 3 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.429 0.021 19437
100 1 3 . 1 1 17 17 PHE H H 17 8.520 8.520 7.773 0.747 19437
101 1 3 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.906 -0.056 19437
102 1 3 . 1 1 18 18 VAL H H 18 7.930 7.930 7.214 0.716 19437
103 1 3 . 1 1 19 19 GLY H H 19 8.220 8.220 7.938 0.282 19437
104 1 3 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.350 -0.130 19437
105 1 3 . 1 1 20 20 LEU H H 20 7.850 7.850 7.389 0.461 19437
106 1 4 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.406 -0.036 19437
107 1 4 . 1 1 2 2 ALA H H 2 8.690 8.690 8.333 0.357 19437
108 1 4 . 1 1 3 3 GLY H H 3 8.340 8.340 8.696 -0.356 19437
109 1 4 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.309 0.441 19437
110 1 4 . 1 1 4 4 HIS H H 4 8.340 8.340 8.396 -0.056 19437
111 1 4 . 1 1 5 5 GLY H H 5 8.520 8.520 7.906 0.614 19437
112 1 4 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.173 0.197 19437
113 1 4 . 1 1 6 6 GLN H H 6 8.280 8.280 8.087 0.193 19437
114 1 4 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.891 0.279 19437
115 1 4 . 1 1 7 7 ILE H H 7 8.230 8.230 7.470 0.760 19437
116 1 4 . 1 1 8 8 SER HA H 8 4.410 4.410 4.190 0.220 19437
117 1 4 . 1 1 8 8 SER H H 8 8.300 8.300 7.882 0.418 19437
118 1 4 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.796 -0.056 19437
119 1 4 . 1 1 9 9 HIS H H 9 8.550 8.550 7.506 1.044 19437
120 1 4 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.158 0.122 19437
121 1 4 . 1 1 10 10 LYS H H 10 8.260 8.260 8.236 0.024 19437
122 1 4 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.182 0.118 19437
123 1 4 . 1 1 11 11 ARG H H 11 8.370 8.370 7.657 0.713 19437
124 1 4 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.526 0.224 19437
125 1 4 . 1 1 12 12 HIS H H 12 8.570 8.570 8.310 0.260 19437
126 1 4 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.249 0.091 19437
127 1 4 . 1 1 13 13 LYS H H 13 8.650 8.650 8.136 0.514 19437
128 1 4 . 1 1 14 14 THR HA H 14 4.300 4.300 3.992 0.308 19437
129 1 4 . 1 1 14 14 THR H H 14 8.190 8.190 7.467 0.723 19437
130 1 4 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.633 0.027 19437
131 1 4 . 1 1 15 15 ASP H H 15 8.370 8.370 7.668 0.702 19437
132 1 4 . 1 1 16 16 SER HA H 16 4.430 4.430 4.385 0.045 19437
133 1 4 . 1 1 16 16 SER H H 16 8.090 8.090 7.610 0.480 19437
134 1 4 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.440 0.010 19437
135 1 4 . 1 1 17 17 PHE H H 17 8.520 8.520 7.802 0.718 19437
136 1 4 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.880 -0.030 19437
137 1 4 . 1 1 18 18 VAL H H 18 7.930 7.930 7.315 0.615 19437
138 1 4 . 1 1 19 19 GLY H H 19 8.220 8.220 7.738 0.482 19437
139 1 4 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.346 -0.126 19437
140 1 4 . 1 1 20 20 LEU H H 20 7.850 7.850 7.537 0.313 19437
141 1 5 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.247 0.123 19437
142 1 5 . 1 1 2 2 ALA H H 2 8.690 8.690 8.468 0.222 19437
143 1 5 . 1 1 3 3 GLY H H 3 8.340 8.340 8.778 -0.438 19437
144 1 5 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.374 0.376 19437
145 1 5 . 1 1 4 4 HIS H H 4 8.340 8.340 8.094 0.246 19437
146 1 5 . 1 1 5 5 GLY H H 5 8.520 8.520 7.625 0.895 19437
147 1 5 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.131 0.239 19437
148 1 5 . 1 1 6 6 GLN H H 6 8.280 8.280 7.883 0.397 19437
149 1 5 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.005 0.165 19437
150 1 5 . 1 1 7 7 ILE H H 7 8.230 8.230 7.404 0.826 19437
151 1 5 . 1 1 8 8 SER HA H 8 4.410 4.410 4.329 0.081 19437
152 1 5 . 1 1 8 8 SER H H 8 8.300 8.300 7.762 0.538 19437
153 1 5 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.474 0.266 19437
154 1 5 . 1 1 9 9 HIS H H 9 8.550 8.550 8.041 0.509 19437
155 1 5 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.496 -0.216 19437
156 1 5 . 1 1 10 10 LYS H H 10 8.260 8.260 7.582 0.678 19437
157 1 5 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.261 0.039 19437
158 1 5 . 1 1 11 11 ARG H H 11 8.370 8.370 7.837 0.533 19437
159 1 5 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.385 0.365 19437
160 1 5 . 1 1 12 12 HIS H H 12 8.570 8.570 7.756 0.814 19437
161 1 5 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.894 0.446 19437
162 1 5 . 1 1 13 13 LYS H H 13 8.650 8.650 7.101 1.549 19437
163 1 5 . 1 1 14 14 THR HA H 14 4.300 4.300 3.937 0.363 19437
164 1 5 . 1 1 14 14 THR H H 14 8.190 8.190 7.601 0.589 19437
165 1 5 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.641 0.019 19437
166 1 5 . 1 1 15 15 ASP H H 15 8.370 8.370 7.622 0.748 19437
167 1 5 . 1 1 16 16 SER HA H 16 4.430 4.430 4.369 0.061 19437
168 1 5 . 1 1 16 16 SER H H 16 8.090 8.090 7.465 0.625 19437
169 1 5 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.396 0.054 19437
170 1 5 . 1 1 17 17 PHE H H 17 8.520 8.520 7.814 0.706 19437
171 1 5 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.856 -0.006 19437
172 1 5 . 1 1 18 18 VAL H H 18 7.930 7.930 7.310 0.620 19437
173 1 5 . 1 1 19 19 GLY H H 19 8.220 8.220 7.636 0.584 19437
174 1 5 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.403 -0.183 19437
175 1 5 . 1 1 20 20 LEU H H 20 7.850 7.850 7.640 0.210 19437
176 1 6 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.262 0.108 19437
177 1 6 . 1 1 2 2 ALA H H 2 8.690 8.690 8.647 0.043 19437
178 1 6 . 1 1 3 3 GLY H H 3 8.340 8.340 8.769 -0.429 19437
179 1 6 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.373 0.377 19437
180 1 6 . 1 1 4 4 HIS H H 4 8.340 8.340 7.821 0.519 19437
181 1 6 . 1 1 5 5 GLY H H 5 8.520 8.520 7.964 0.556 19437
182 1 6 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.117 0.253 19437
183 1 6 . 1 1 6 6 GLN H H 6 8.280 8.280 7.923 0.357 19437
184 1 6 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.894 0.276 19437
185 1 6 . 1 1 7 7 ILE H H 7 8.230 8.230 8.102 0.128 19437
186 1 6 . 1 1 8 8 SER HA H 8 4.410 4.410 4.250 0.160 19437
187 1 6 . 1 1 8 8 SER H H 8 8.300 8.300 7.754 0.546 19437
188 1 6 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.282 0.458 19437
189 1 6 . 1 1 9 9 HIS H H 9 8.550 8.550 7.896 0.654 19437
190 1 6 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.868 0.412 19437
191 1 6 . 1 1 10 10 LYS H H 10 8.260 8.260 8.225 0.035 19437
192 1 6 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.154 0.146 19437
193 1 6 . 1 1 11 11 ARG H H 11 8.370 8.370 7.565 0.805 19437
194 1 6 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.647 0.103 19437
195 1 6 . 1 1 12 12 HIS H H 12 8.570 8.570 7.839 0.731 19437
196 1 6 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.226 0.114 19437
197 1 6 . 1 1 13 13 LYS H H 13 8.650 8.650 7.967 0.683 19437
198 1 6 . 1 1 14 14 THR HA H 14 4.300 4.300 4.200 0.100 19437
199 1 6 . 1 1 14 14 THR H H 14 8.190 8.190 7.822 0.368 19437
200 1 6 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.563 0.097 19437
201 1 6 . 1 1 15 15 ASP H H 15 8.370 8.370 7.658 0.712 19437
202 1 6 . 1 1 16 16 SER HA H 16 4.430 4.430 4.256 0.174 19437
203 1 6 . 1 1 16 16 SER H H 16 8.090 8.090 7.699 0.391 19437
204 1 6 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.479 -0.029 19437
205 1 6 . 1 1 17 17 PHE H H 17 8.520 8.520 7.513 1.007 19437
206 1 6 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.816 0.034 19437
207 1 6 . 1 1 18 18 VAL H H 18 7.930 7.930 7.503 0.427 19437
208 1 6 . 1 1 19 19 GLY H H 19 8.220 8.220 7.683 0.537 19437
209 1 6 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.295 -0.075 19437
210 1 6 . 1 1 20 20 LEU H H 20 7.850 7.850 7.647 0.203 19437
211 1 7 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.294 0.076 19437
212 1 7 . 1 1 2 2 ALA H H 2 8.690 8.690 8.291 0.399 19437
213 1 7 . 1 1 3 3 GLY H H 3 8.340 8.340 8.810 -0.470 19437
214 1 7 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.379 0.371 19437
215 1 7 . 1 1 4 4 HIS H H 4 8.340 8.340 8.157 0.183 19437
216 1 7 . 1 1 5 5 GLY H H 5 8.520 8.520 7.604 0.916 19437
217 1 7 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.039 0.331 19437
218 1 7 . 1 1 6 6 GLN H H 6 8.280 8.280 7.993 0.287 19437
219 1 7 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.667 0.503 19437
220 1 7 . 1 1 7 7 ILE H H 7 8.230 8.230 7.302 0.928 19437
221 1 7 . 1 1 8 8 SER HA H 8 4.410 4.410 4.320 0.090 19437
222 1 7 . 1 1 8 8 SER H H 8 8.300 8.300 7.387 0.913 19437
223 1 7 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.397 0.343 19437
224 1 7 . 1 1 9 9 HIS H H 9 8.550 8.550 7.462 1.088 19437
225 1 7 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.288 -0.008 19437
226 1 7 . 1 1 10 10 LYS H H 10 8.260 8.260 7.559 0.701 19437
227 1 7 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.199 0.101 19437
228 1 7 . 1 1 11 11 ARG H H 11 8.370 8.370 7.798 0.572 19437
229 1 7 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.829 -0.079 19437
230 1 7 . 1 1 12 12 HIS H H 12 8.570 8.570 7.958 0.612 19437
231 1 7 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.163 0.177 19437
232 1 7 . 1 1 13 13 LYS H H 13 8.650 8.650 8.119 0.531 19437
233 1 7 . 1 1 14 14 THR HA H 14 4.300 4.300 4.113 0.187 19437
234 1 7 . 1 1 14 14 THR H H 14 8.190 8.190 7.495 0.695 19437
235 1 7 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.585 0.075 19437
236 1 7 . 1 1 15 15 ASP H H 15 8.370 8.370 7.728 0.642 19437
237 1 7 . 1 1 16 16 SER HA H 16 4.430 4.430 4.373 0.057 19437
238 1 7 . 1 1 16 16 SER H H 16 8.090 8.090 7.478 0.612 19437
239 1 7 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.442 0.008 19437
240 1 7 . 1 1 17 17 PHE H H 17 8.520 8.520 7.750 0.769 19437
241 1 7 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.857 -0.007 19437
242 1 7 . 1 1 18 18 VAL H H 18 7.930 7.930 7.344 0.586 19437
243 1 7 . 1 1 19 19 GLY H H 19 8.220 8.220 7.606 0.614 19437
244 1 7 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.376 -0.156 19437
245 1 7 . 1 1 20 20 LEU H H 20 7.850 7.850 7.589 0.261 19437
246 1 8 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.477 -0.107 19437
247 1 8 . 1 1 2 2 ALA H H 2 8.690 8.690 8.229 0.461 19437
248 1 8 . 1 1 3 3 GLY H H 3 8.340 8.340 8.525 -0.185 19437
249 1 8 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.401 0.349 19437
250 1 8 . 1 1 4 4 HIS H H 4 8.340 8.340 8.394 -0.054 19437
251 1 8 . 1 1 5 5 GLY H H 5 8.520 8.520 7.941 0.579 19437
252 1 8 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.278 0.092 19437
253 1 8 . 1 1 6 6 GLN H H 6 8.280 8.280 7.988 0.292 19437
254 1 8 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.971 0.199 19437
255 1 8 . 1 1 7 7 ILE H H 7 8.230 8.230 7.530 0.700 19437
256 1 8 . 1 1 8 8 SER HA H 8 4.410 4.410 4.424 -0.014 19437
257 1 8 . 1 1 8 8 SER H H 8 8.300 8.300 7.692 0.608 19437
258 1 8 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.430 0.310 19437
259 1 8 . 1 1 9 9 HIS H H 9 8.550 8.550 7.969 0.581 19437
260 1 8 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.266 0.014 19437
261 1 8 . 1 1 10 10 LYS H H 10 8.260 8.260 7.576 0.684 19437
262 1 8 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.193 0.107 19437
263 1 8 . 1 1 11 11 ARG H H 11 8.370 8.370 7.422 0.948 19437
264 1 8 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.416 0.334 19437
265 1 8 . 1 1 12 12 HIS H H 12 8.570 8.570 7.695 0.875 19437
266 1 8 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.794 0.546 19437
267 1 8 . 1 1 13 13 LYS H H 13 8.650 8.650 7.547 1.103 19437
268 1 8 . 1 1 14 14 THR HA H 14 4.300 4.300 4.385 -0.085 19437
269 1 8 . 1 1 14 14 THR H H 14 8.190 8.190 7.496 0.694 19437
270 1 8 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.524 0.136 19437
271 1 8 . 1 1 15 15 ASP H H 15 8.370 8.370 8.390 -0.020 19437
272 1 8 . 1 1 16 16 SER HA H 16 4.430 4.430 4.263 0.167 19437
273 1 8 . 1 1 16 16 SER H H 16 8.090 8.090 7.430 0.660 19437
274 1 8 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.391 0.059 19437
275 1 8 . 1 1 17 17 PHE H H 17 8.520 8.520 7.472 1.048 19437
276 1 8 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.920 -0.070 19437
277 1 8 . 1 1 18 18 VAL H H 18 7.930 7.930 7.217 0.713 19437
278 1 8 . 1 1 19 19 GLY H H 19 8.220 8.220 7.914 0.306 19437
279 1 8 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.394 -0.174 19437
280 1 8 . 1 1 20 20 LEU H H 20 7.850 7.850 7.467 0.383 19437
281 1 9 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.312 0.058 19437
282 1 9 . 1 1 2 2 ALA H H 2 8.690 8.690 8.396 0.294 19437
283 1 9 . 1 1 3 3 GLY H H 3 8.340 8.340 8.694 -0.354 19437
284 1 9 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.436 0.314 19437
285 1 9 . 1 1 4 4 HIS H H 4 8.340 8.340 8.211 0.129 19437
286 1 9 . 1 1 5 5 GLY H H 5 8.520 8.520 7.926 0.594 19437
287 1 9 . 1 1 6 6 GLN HA H 6 4.370 4.370 3.399 0.971 19437
288 1 9 . 1 1 6 6 GLN H H 6 8.280 8.280 7.700 0.580 19437
289 1 9 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.911 0.259 19437
290 1 9 . 1 1 7 7 ILE H H 7 8.230 8.230 7.269 0.961 19437
291 1 9 . 1 1 8 8 SER HA H 8 4.410 4.410 4.385 0.025 19437
292 1 9 . 1 1 8 8 SER H H 8 8.300 8.300 8.231 0.069 19437
293 1 9 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.793 -0.053 19437
294 1 9 . 1 1 9 9 HIS H H 9 8.550 8.550 7.533 1.017 19437
295 1 9 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.141 0.139 19437
296 1 9 . 1 1 10 10 LYS H H 10 8.260 8.260 7.859 0.401 19437
297 1 9 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.178 0.122 19437
298 1 9 . 1 1 11 11 ARG H H 11 8.370 8.370 7.711 0.659 19437
299 1 9 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.887 -0.137 19437
300 1 9 . 1 1 12 12 HIS H H 12 8.570 8.570 8.081 0.489 19437
301 1 9 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.252 0.088 19437
302 1 9 . 1 1 13 13 LYS H H 13 8.650 8.650 7.808 0.842 19437
303 1 9 . 1 1 14 14 THR HA H 14 4.300 4.300 4.197 0.103 19437
304 1 9 . 1 1 14 14 THR H H 14 8.190 8.190 7.461 0.729 19437
305 1 9 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.624 0.036 19437
306 1 9 . 1 1 15 15 ASP H H 15 8.370 8.370 7.614 0.756 19437
307 1 9 . 1 1 16 16 SER HA H 16 4.430 4.430 4.345 0.085 19437
308 1 9 . 1 1 16 16 SER H H 16 8.090 8.090 7.593 0.497 19437
309 1 9 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.442 0.008 19437
310 1 9 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437
311 1 9 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.606 0.244 19437
312 1 9 . 1 1 18 18 VAL H H 18 7.930 7.930 7.418 0.512 19437
313 1 9 . 1 1 19 19 GLY H H 19 8.220 8.220 7.586 0.634 19437
314 1 9 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.302 -0.082 19437
315 1 9 . 1 1 20 20 LEU H H 20 7.850 7.850 7.399 0.451 19437
316 1 10 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.488 -0.118 19437
317 1 10 . 1 1 2 2 ALA H H 2 8.690 8.690 8.445 0.245 19437
318 1 10 . 1 1 3 3 GLY H H 3 8.340 8.340 8.719 -0.379 19437
319 1 10 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.364 0.386 19437
320 1 10 . 1 1 4 4 HIS H H 4 8.340 8.340 7.848 0.492 19437
321 1 10 . 1 1 5 5 GLY H H 5 8.520 8.520 7.949 0.571 19437
322 1 10 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.095 0.275 19437
323 1 10 . 1 1 6 6 GLN H H 6 8.280 8.280 7.942 0.338 19437
324 1 10 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.767 0.403 19437
325 1 10 . 1 1 7 7 ILE H H 7 8.230 8.230 7.439 0.791 19437
326 1 10 . 1 1 8 8 SER HA H 8 4.410 4.410 4.230 0.180 19437
327 1 10 . 1 1 8 8 SER H H 8 8.300 8.300 8.119 0.181 19437
328 1 10 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.427 0.313 19437
329 1 10 . 1 1 9 9 HIS H H 9 8.550 8.550 7.971 0.579 19437
330 1 10 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.208 0.072 19437
331 1 10 . 1 1 10 10 LYS H H 10 8.260 8.260 7.964 0.296 19437
332 1 10 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.207 0.093 19437
333 1 10 . 1 1 11 11 ARG H H 11 8.370 8.370 8.067 0.303 19437
334 1 10 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.393 0.357 19437
335 1 10 . 1 1 12 12 HIS H H 12 8.570 8.570 8.047 0.523 19437
336 1 10 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.692 0.648 19437
337 1 10 . 1 1 13 13 LYS H H 13 8.650 8.650 7.363 1.287 19437
338 1 10 . 1 1 14 14 THR HA H 14 4.300 4.300 4.219 0.081 19437
339 1 10 . 1 1 14 14 THR H H 14 8.190 8.190 7.739 0.451 19437
340 1 10 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.624 0.036 19437
341 1 10 . 1 1 15 15 ASP H H 15 8.370 8.370 8.182 0.188 19437
342 1 10 . 1 1 16 16 SER HA H 16 4.430 4.430 4.327 0.103 19437
343 1 10 . 1 1 16 16 SER H H 16 8.090 8.090 7.501 0.589 19437
344 1 10 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.408 0.042 19437
345 1 10 . 1 1 17 17 PHE H H 17 8.520 8.520 7.660 0.860 19437
346 1 10 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.308 0.542 19437
347 1 10 . 1 1 18 18 VAL H H 18 7.930 7.930 7.213 0.717 19437
348 1 10 . 1 1 19 19 GLY H H 19 8.220 8.220 7.621 0.599 19437
349 1 10 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.381 -0.161 19437
350 1 10 . 1 1 20 20 LEU H H 20 7.850 7.850 7.451 0.399 19437
351 1 11 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.430 -0.060 19437
352 1 11 . 1 1 2 2 ALA H H 2 8.690 8.690 8.183 0.507 19437
353 1 11 . 1 1 3 3 GLY H H 3 8.340 8.340 8.852 -0.512 19437
354 1 11 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.491 0.259 19437
355 1 11 . 1 1 4 4 HIS H H 4 8.340 8.340 7.719 0.621 19437
356 1 11 . 1 1 5 5 GLY H H 5 8.520 8.520 8.069 0.451 19437
357 1 11 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.096 0.274 19437
358 1 11 . 1 1 6 6 GLN H H 6 8.280 8.280 7.602 0.678 19437
359 1 11 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.949 0.221 19437
360 1 11 . 1 1 7 7 ILE H H 7 8.230 8.230 7.428 0.802 19437
361 1 11 . 1 1 8 8 SER HA H 8 4.410 4.410 4.415 -0.005 19437
362 1 11 . 1 1 8 8 SER H H 8 8.300 8.300 8.396 -0.096 19437
363 1 11 . 1 1 9 9 HIS HA H 9 4.740 4.740 3.544 1.196 19437
364 1 11 . 1 1 9 9 HIS H H 9 8.550 8.550 7.697 0.853 19437
365 1 11 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.920 0.360 19437
366 1 11 . 1 1 10 10 LYS H H 10 8.260 8.260 7.765 0.495 19437
367 1 11 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.346 -0.046 19437
368 1 11 . 1 1 11 11 ARG H H 11 8.370 8.370 7.558 0.812 19437
369 1 11 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.867 -0.117 19437
370 1 11 . 1 1 12 12 HIS H H 12 8.570 8.570 7.672 0.898 19437
371 1 11 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.113 0.227 19437
372 1 11 . 1 1 13 13 LYS H H 13 8.650 8.650 7.684 0.966 19437
373 1 11 . 1 1 14 14 THR HA H 14 4.300 4.300 4.454 -0.154 19437
374 1 11 . 1 1 14 14 THR H H 14 8.190 8.190 7.718 0.472 19437
375 1 11 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.609 0.051 19437
376 1 11 . 1 1 15 15 ASP H H 15 8.370 8.370 7.901 0.469 19437
377 1 11 . 1 1 16 16 SER HA H 16 4.430 4.430 4.313 0.117 19437
378 1 11 . 1 1 16 16 SER H H 16 8.090 8.090 7.570 0.520 19437
379 1 11 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.398 0.052 19437
380 1 11 . 1 1 17 17 PHE H H 17 8.520 8.520 7.683 0.837 19437
381 1 11 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.814 0.036 19437
382 1 11 . 1 1 18 18 VAL H H 18 7.930 7.930 7.343 0.587 19437
383 1 11 . 1 1 19 19 GLY H H 19 8.220 8.220 7.639 0.581 19437
384 1 11 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.390 -0.170 19437
385 1 11 . 1 1 20 20 LEU H H 20 7.850 7.850 7.729 0.121 19437
386 1 12 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.462 -0.092 19437
387 1 12 . 1 1 2 2 ALA H H 2 8.690 8.690 8.197 0.493 19437
388 1 12 . 1 1 3 3 GLY H H 3 8.340 8.340 8.846 -0.506 19437
389 1 12 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.498 0.252 19437
390 1 12 . 1 1 4 4 HIS H H 4 8.340 8.340 7.693 0.647 19437
391 1 12 . 1 1 5 5 GLY H H 5 8.520 8.520 8.001 0.519 19437
392 1 12 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.113 0.257 19437
393 1 12 . 1 1 6 6 GLN H H 6 8.280 8.280 7.553 0.727 19437
394 1 12 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.827 0.343 19437
395 1 12 . 1 1 7 7 ILE H H 7 8.230 8.230 7.345 0.885 19437
396 1 12 . 1 1 8 8 SER HA H 8 4.410 4.410 4.327 0.083 19437
397 1 12 . 1 1 8 8 SER H H 8 8.300 8.300 8.059 0.241 19437
398 1 12 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.366 0.374 19437
399 1 12 . 1 1 9 9 HIS H H 9 8.550 8.550 7.961 0.589 19437
400 1 12 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.000 0.280 19437
401 1 12 . 1 1 10 10 LYS H H 10 8.260 8.260 7.637 0.623 19437
402 1 12 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.211 0.089 19437
403 1 12 . 1 1 11 11 ARG H H 11 8.370 8.370 7.568 0.802 19437
404 1 12 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.791 -0.041 19437
405 1 12 . 1 1 12 12 HIS H H 12 8.570 8.570 8.158 0.412 19437
406 1 12 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.176 0.164 19437
407 1 12 . 1 1 13 13 LYS H H 13 8.650 8.650 8.001 0.649 19437
408 1 12 . 1 1 14 14 THR HA H 14 4.300 4.300 4.428 -0.128 19437
409 1 12 . 1 1 14 14 THR H H 14 8.190 8.190 7.763 0.427 19437
410 1 12 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.621 0.039 19437
411 1 12 . 1 1 15 15 ASP H H 15 8.370 8.370 7.696 0.674 19437
412 1 12 . 1 1 16 16 SER HA H 16 4.430 4.430 4.320 0.110 19437
413 1 12 . 1 1 16 16 SER H H 16 8.090 8.090 7.590 0.500 19437
414 1 12 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.385 0.065 19437
415 1 12 . 1 1 17 17 PHE H H 17 8.520 8.520 7.706 0.814 19437
416 1 12 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.827 0.023 19437
417 1 12 . 1 1 18 18 VAL H H 18 7.930 7.930 7.355 0.575 19437
418 1 12 . 1 1 19 19 GLY H H 19 8.220 8.220 7.638 0.582 19437
419 1 12 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.453 -0.233 19437
420 1 12 . 1 1 20 20 LEU H H 20 7.850 7.850 7.758 0.092 19437
421 1 13 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.419 -0.049 19437
422 1 13 . 1 1 2 2 ALA H H 2 8.690 8.690 8.185 0.505 19437
423 1 13 . 1 1 3 3 GLY H H 3 8.340 8.340 8.804 -0.464 19437
424 1 13 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.534 0.216 19437
425 1 13 . 1 1 4 4 HIS H H 4 8.340 8.340 7.706 0.634 19437
426 1 13 . 1 1 5 5 GLY H H 5 8.520 8.520 7.988 0.532 19437
427 1 13 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.082 0.288 19437
428 1 13 . 1 1 6 6 GLN H H 6 8.280 8.280 7.787 0.493 19437
429 1 13 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.988 0.182 19437
430 1 13 . 1 1 7 7 ILE H H 7 8.230 8.230 7.340 0.890 19437
431 1 13 . 1 1 8 8 SER HA H 8 4.410 4.410 4.459 -0.049 19437
432 1 13 . 1 1 8 8 SER H H 8 8.300 8.300 8.298 0.002 19437
433 1 13 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.465 0.275 19437
434 1 13 . 1 1 9 9 HIS H H 9 8.550 8.550 7.880 0.670 19437
435 1 13 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.411 -0.131 19437
436 1 13 . 1 1 10 10 LYS H H 10 8.260 8.260 7.592 0.668 19437
437 1 13 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.240 0.060 19437
438 1 13 . 1 1 11 11 ARG H H 11 8.370 8.370 7.734 0.636 19437
439 1 13 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.412 0.338 19437
440 1 13 . 1 1 12 12 HIS H H 12 8.570 8.570 7.964 0.606 19437
441 1 13 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.945 0.395 19437
442 1 13 . 1 1 13 13 LYS H H 13 8.650 8.650 7.376 1.274 19437
443 1 13 . 1 1 14 14 THR HA H 14 4.300 4.300 4.330 -0.030 19437
444 1 13 . 1 1 14 14 THR H H 14 8.190 8.190 7.688 0.502 19437
445 1 13 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.622 0.038 19437
446 1 13 . 1 1 15 15 ASP H H 15 8.370 8.370 7.534 0.836 19437
447 1 13 . 1 1 16 16 SER HA H 16 4.430 4.430 4.306 0.124 19437
448 1 13 . 1 1 16 16 SER H H 16 8.090 8.090 7.430 0.660 19437
449 1 13 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.416 0.034 19437
450 1 13 . 1 1 17 17 PHE H H 17 8.520 8.520 7.606 0.914 19437
451 1 13 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.927 -0.077 19437
452 1 13 . 1 1 18 18 VAL H H 18 7.930 7.930 7.190 0.740 19437
453 1 13 . 1 1 19 19 GLY H H 19 8.220 8.220 7.898 0.322 19437
454 1 13 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.306 -0.086 19437
455 1 13 . 1 1 20 20 LEU H H 20 7.850 7.850 7.466 0.384 19437
456 1 14 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.657 -0.287 19437
457 1 14 . 1 1 2 2 ALA H H 2 8.690 8.690 8.247 0.443 19437
458 1 14 . 1 1 3 3 GLY H H 3 8.340 8.340 8.964 -0.624 19437
459 1 14 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.399 0.351 19437
460 1 14 . 1 1 4 4 HIS H H 4 8.340 8.340 7.700 0.640 19437
461 1 14 . 1 1 5 5 GLY H H 5 8.520 8.520 7.673 0.847 19437
462 1 14 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.286 0.084 19437
463 1 14 . 1 1 6 6 GLN H H 6 8.280 8.280 7.816 0.464 19437
464 1 14 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.850 0.320 19437
465 1 14 . 1 1 7 7 ILE H H 7 8.230 8.230 7.507 0.723 19437
466 1 14 . 1 1 8 8 SER HA H 8 4.410 4.410 4.332 0.078 19437
467 1 14 . 1 1 8 8 SER H H 8 8.300 8.300 7.549 0.751 19437
468 1 14 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.357 0.383 19437
469 1 14 . 1 1 9 9 HIS H H 9 8.550 8.550 7.976 0.574 19437
470 1 14 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.738 0.542 19437
471 1 14 . 1 1 10 10 LYS H H 10 8.260 8.260 7.259 1.001 19437
472 1 14 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.061 0.239 19437
473 1 14 . 1 1 11 11 ARG H H 11 8.370 8.370 7.204 1.166 19437
474 1 14 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.841 -0.091 19437
475 1 14 . 1 1 12 12 HIS H H 12 8.570 8.570 7.422 1.148 19437
476 1 14 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.159 0.181 19437
477 1 14 . 1 1 13 13 LYS H H 13 8.650 8.650 8.076 0.574 19437
478 1 14 . 1 1 14 14 THR HA H 14 4.300 4.300 4.150 0.150 19437
479 1 14 . 1 1 14 14 THR H H 14 8.190 8.190 7.856 0.334 19437
480 1 14 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.619 0.041 19437
481 1 14 . 1 1 15 15 ASP H H 15 8.370 8.370 7.519 0.851 19437
482 1 14 . 1 1 16 16 SER HA H 16 4.430 4.430 4.374 0.056 19437
483 1 14 . 1 1 16 16 SER H H 16 8.090 8.090 7.586 0.504 19437
484 1 14 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.429 0.021 19437
485 1 14 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437
486 1 14 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.795 0.055 19437
487 1 14 . 1 1 18 18 VAL H H 18 7.930 7.930 7.314 0.616 19437
488 1 14 . 1 1 19 19 GLY H H 19 8.220 8.220 7.673 0.547 19437
489 1 14 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.387 -0.167 19437
490 1 14 . 1 1 20 20 LEU H H 20 7.850 7.850 7.566 0.284 19437
491 1 15 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.543 -0.173 19437
492 1 15 . 1 1 2 2 ALA H H 2 8.690 8.690 8.210 0.480 19437
493 1 15 . 1 1 3 3 GLY H H 3 8.340 8.340 8.922 -0.582 19437
494 1 15 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.430 0.320 19437
495 1 15 . 1 1 4 4 HIS H H 4 8.340 8.340 7.625 0.715 19437
496 1 15 . 1 1 5 5 GLY H H 5 8.520 8.520 7.682 0.838 19437
497 1 15 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.099 0.271 19437
498 1 15 . 1 1 6 6 GLN H H 6 8.280 8.280 7.684 0.596 19437
499 1 15 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.965 0.205 19437
500 1 15 . 1 1 7 7 ILE H H 7 8.230 8.230 7.367 0.863 19437
501 1 15 . 1 1 8 8 SER HA H 8 4.410 4.410 4.303 0.107 19437
502 1 15 . 1 1 8 8 SER H H 8 8.300 8.300 7.747 0.553 19437
503 1 15 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.521 0.219 19437
504 1 15 . 1 1 9 9 HIS H H 9 8.550 8.550 8.393 0.157 19437
505 1 15 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.886 0.394 19437
506 1 15 . 1 1 10 10 LYS H H 10 8.260 8.260 7.863 0.397 19437
507 1 15 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.193 0.107 19437
508 1 15 . 1 1 11 11 ARG H H 11 8.370 8.370 7.532 0.838 19437
509 1 15 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.676 0.074 19437
510 1 15 . 1 1 12 12 HIS H H 12 8.570 8.570 8.294 0.276 19437
511 1 15 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.165 0.175 19437
512 1 15 . 1 1 13 13 LYS H H 13 8.650 8.650 7.557 1.093 19437
513 1 15 . 1 1 14 14 THR HA H 14 4.300 4.300 4.195 0.105 19437
514 1 15 . 1 1 14 14 THR H H 14 8.190 8.190 7.656 0.534 19437
515 1 15 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.618 0.042 19437
516 1 15 . 1 1 15 15 ASP H H 15 8.370 8.370 7.532 0.838 19437
517 1 15 . 1 1 16 16 SER HA H 16 4.430 4.430 4.329 0.101 19437
518 1 15 . 1 1 16 16 SER H H 16 8.090 8.090 7.577 0.513 19437
519 1 15 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.482 -0.032 19437
520 1 15 . 1 1 17 17 PHE H H 17 8.520 8.520 7.663 0.857 19437
521 1 15 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.571 0.279 19437
522 1 15 . 1 1 18 18 VAL H H 18 7.930 7.930 7.348 0.582 19437
523 1 15 . 1 1 19 19 GLY H H 19 8.220 8.220 7.649 0.571 19437
524 1 15 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.342 -0.122 19437
525 1 15 . 1 1 20 20 LEU H H 20 7.850 7.850 7.343 0.507 19437
526 1 16 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.496 -0.126 19437
527 1 16 . 1 1 2 2 ALA H H 2 8.690 8.690 8.509 0.181 19437
528 1 16 . 1 1 3 3 GLY H H 3 8.340 8.340 8.684 -0.344 19437
529 1 16 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.447 0.303 19437
530 1 16 . 1 1 4 4 HIS H H 4 8.340 8.340 7.688 0.652 19437
531 1 16 . 1 1 5 5 GLY H H 5 8.520 8.520 8.001 0.519 19437
532 1 16 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.249 0.121 19437
533 1 16 . 1 1 6 6 GLN H H 6 8.280 8.280 7.858 0.422 19437
534 1 16 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.948 0.222 19437
535 1 16 . 1 1 7 7 ILE H H 7 8.230 8.230 7.441 0.789 19437
536 1 16 . 1 1 8 8 SER HA H 8 4.410 4.410 4.272 0.138 19437
537 1 16 . 1 1 8 8 SER H H 8 8.300 8.300 7.707 0.593 19437
538 1 16 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.624 0.116 19437
539 1 16 . 1 1 9 9 HIS H H 9 8.550 8.550 7.705 0.845 19437
540 1 16 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.727 -0.447 19437
541 1 16 . 1 1 10 10 LYS H H 10 8.260 8.260 7.887 0.373 19437
542 1 16 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.179 0.121 19437
543 1 16 . 1 1 11 11 ARG H H 11 8.370 8.370 7.875 0.495 19437
544 1 16 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.937 -0.187 19437
545 1 16 . 1 1 12 12 HIS H H 12 8.570 8.570 7.963 0.607 19437
546 1 16 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.788 0.552 19437
547 1 16 . 1 1 13 13 LYS H H 13 8.650 8.650 7.604 1.046 19437
548 1 16 . 1 1 14 14 THR HA H 14 4.300 4.300 4.144 0.156 19437
549 1 16 . 1 1 14 14 THR H H 14 8.190 8.190 7.688 0.502 19437
550 1 16 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.567 0.093 19437
551 1 16 . 1 1 15 15 ASP H H 15 8.370 8.370 8.135 0.235 19437
552 1 16 . 1 1 16 16 SER HA H 16 4.430 4.430 4.317 0.113 19437
553 1 16 . 1 1 16 16 SER H H 16 8.090 8.090 7.534 0.556 19437
554 1 16 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.404 0.046 19437
555 1 16 . 1 1 17 17 PHE H H 17 8.520 8.520 7.673 0.847 19437
556 1 16 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.869 -0.019 19437
557 1 16 . 1 1 18 18 VAL H H 18 7.930 7.930 7.278 0.652 19437
558 1 16 . 1 1 19 19 GLY H H 19 8.220 8.220 7.788 0.432 19437
559 1 16 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.361 -0.141 19437
560 1 16 . 1 1 20 20 LEU H H 20 7.850 7.850 7.495 0.355 19437
561 1 17 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.430 -0.060 19437
562 1 17 . 1 1 2 2 ALA H H 2 8.690 8.690 8.257 0.433 19437
563 1 17 . 1 1 3 3 GLY H H 3 8.340 8.340 8.745 -0.405 19437
564 1 17 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.432 0.318 19437
565 1 17 . 1 1 4 4 HIS H H 4 8.340 8.340 8.004 0.336 19437
566 1 17 . 1 1 5 5 GLY H H 5 8.520 8.520 7.640 0.880 19437
567 1 17 . 1 1 6 6 GLN HA H 6 4.370 4.370 3.893 0.477 19437
568 1 17 . 1 1 6 6 GLN H H 6 8.280 8.280 7.728 0.552 19437
569 1 17 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.890 0.280 19437
570 1 17 . 1 1 7 7 ILE H H 7 8.230 8.230 7.365 0.865 19437
571 1 17 . 1 1 8 8 SER HA H 8 4.410 4.410 4.447 -0.037 19437
572 1 17 . 1 1 8 8 SER H H 8 8.300 8.300 7.694 0.606 19437
573 1 17 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.780 -0.040 19437
574 1 17 . 1 1 9 9 HIS H H 9 8.550 8.550 7.760 0.790 19437
575 1 17 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.104 0.176 19437
576 1 17 . 1 1 10 10 LYS H H 10 8.260 8.260 7.655 0.605 19437
577 1 17 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.029 0.271 19437
578 1 17 . 1 1 11 11 ARG H H 11 8.370 8.370 7.362 1.008 19437
579 1 17 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.552 0.198 19437
580 1 17 . 1 1 12 12 HIS H H 12 8.570 8.570 7.954 0.616 19437
581 1 17 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.199 0.141 19437
582 1 17 . 1 1 13 13 LYS H H 13 8.650 8.650 7.761 0.889 19437
583 1 17 . 1 1 14 14 THR HA H 14 4.300 4.300 3.980 0.320 19437
584 1 17 . 1 1 14 14 THR H H 14 8.190 8.190 7.489 0.701 19437
585 1 17 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.655 0.005 19437
586 1 17 . 1 1 15 15 ASP H H 15 8.370 8.370 7.632 0.738 19437
587 1 17 . 1 1 16 16 SER HA H 16 4.430 4.430 4.404 0.026 19437
588 1 17 . 1 1 16 16 SER H H 16 8.090 8.090 7.624 0.466 19437
589 1 17 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.423 0.027 19437
590 1 17 . 1 1 17 17 PHE H H 17 8.520 8.520 7.854 0.666 19437
591 1 17 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.862 -0.012 19437
592 1 17 . 1 1 18 18 VAL H H 18 7.930 7.930 7.361 0.569 19437
593 1 17 . 1 1 19 19 GLY H H 19 8.220 8.220 7.703 0.517 19437
594 1 17 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.409 -0.189 19437
595 1 17 . 1 1 20 20 LEU H H 20 7.850 7.850 7.634 0.216 19437
596 1 18 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.488 -0.118 19437
597 1 18 . 1 1 2 2 ALA H H 2 8.690 8.690 8.192 0.498 19437
598 1 18 . 1 1 3 3 GLY H H 3 8.340 8.340 8.825 -0.485 19437
599 1 18 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.418 0.332 19437
600 1 18 . 1 1 4 4 HIS H H 4 8.340 8.340 7.707 0.633 19437
601 1 18 . 1 1 5 5 GLY H H 5 8.520 8.520 7.804 0.716 19437
602 1 18 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.096 0.274 19437
603 1 18 . 1 1 6 6 GLN H H 6 8.280 8.280 7.875 0.405 19437
604 1 18 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.147 0.023 19437
605 1 18 . 1 1 7 7 ILE H H 7 8.230 8.230 7.424 0.806 19437
606 1 18 . 1 1 8 8 SER HA H 8 4.410 4.410 4.238 0.172 19437
607 1 18 . 1 1 8 8 SER H H 8 8.300 8.300 7.415 0.885 19437
608 1 18 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.399 0.341 19437
609 1 18 . 1 1 9 9 HIS H H 9 8.550 8.550 8.149 0.401 19437
610 1 18 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.073 0.207 19437
611 1 18 . 1 1 10 10 LYS H H 10 8.260 8.260 7.543 0.717 19437
612 1 18 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.171 0.129 19437
613 1 18 . 1 1 11 11 ARG H H 11 8.370 8.370 7.511 0.859 19437
614 1 18 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.396 0.354 19437
615 1 18 . 1 1 12 12 HIS H H 12 8.570 8.570 7.756 0.814 19437
616 1 18 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.166 0.174 19437
617 1 18 . 1 1 13 13 LYS H H 13 8.650 8.650 7.666 0.984 19437
618 1 18 . 1 1 14 14 THR HA H 14 4.300 4.300 4.150 0.150 19437
619 1 18 . 1 1 14 14 THR H H 14 8.190 8.190 7.964 0.226 19437
620 1 18 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.566 0.094 19437
621 1 18 . 1 1 15 15 ASP H H 15 8.370 8.370 7.510 0.860 19437
622 1 18 . 1 1 16 16 SER HA H 16 4.430 4.430 4.311 0.119 19437
623 1 18 . 1 1 16 16 SER H H 16 8.090 8.090 7.693 0.397 19437
624 1 18 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.481 -0.031 19437
625 1 18 . 1 1 17 17 PHE H H 17 8.520 8.520 7.575 0.945 19437
626 1 18 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.802 0.048 19437
627 1 18 . 1 1 18 18 VAL H H 18 7.930 7.930 7.452 0.478 19437
628 1 18 . 1 1 19 19 GLY H H 19 8.220 8.220 7.752 0.468 19437
629 1 18 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.353 -0.133 19437
630 1 18 . 1 1 20 20 LEU H H 20 7.850 7.850 7.535 0.315 19437
631 1 19 . 1 1 2 2 ALA HA H 2 4.370 4.370 3.554 0.816 19437
632 1 19 . 1 1 2 2 ALA H H 2 8.690 8.690 8.080 0.610 19437
633 1 19 . 1 1 3 3 GLY H H 3 8.340 8.340 8.565 -0.225 19437
634 1 19 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.385 0.365 19437
635 1 19 . 1 1 4 4 HIS H H 4 8.340 8.340 7.440 0.900 19437
636 1 19 . 1 1 5 5 GLY H H 5 8.520 8.520 8.075 0.445 19437
637 1 19 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.228 0.142 19437
638 1 19 . 1 1 6 6 GLN H H 6 8.280 8.280 8.097 0.183 19437
639 1 19 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.952 0.218 19437
640 1 19 . 1 1 7 7 ILE H H 7 8.230 8.230 7.451 0.779 19437
641 1 19 . 1 1 8 8 SER HA H 8 4.410 4.410 4.342 0.068 19437
642 1 19 . 1 1 8 8 SER H H 8 8.300 8.300 7.831 0.469 19437
643 1 19 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.441 0.299 19437
644 1 19 . 1 1 9 9 HIS H H 9 8.550 8.550 7.957 0.593 19437
645 1 19 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.115 0.165 19437
646 1 19 . 1 1 10 10 LYS H H 10 8.260 8.260 7.838 0.422 19437
647 1 19 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.203 0.097 19437
648 1 19 . 1 1 11 11 ARG H H 11 8.370 8.370 7.818 0.552 19437
649 1 19 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.445 0.305 19437
650 1 19 . 1 1 12 12 HIS H H 12 8.570 8.570 7.994 0.576 19437
651 1 19 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.173 0.167 19437
652 1 19 . 1 1 13 13 LYS H H 13 8.650 8.650 7.611 1.039 19437
653 1 19 . 1 1 14 14 THR HA H 14 4.300 4.300 4.125 0.175 19437
654 1 19 . 1 1 14 14 THR H H 14 8.190 8.190 7.618 0.572 19437
655 1 19 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.619 0.041 19437
656 1 19 . 1 1 15 15 ASP H H 15 8.370 8.370 7.636 0.734 19437
657 1 19 . 1 1 16 16 SER HA H 16 4.430 4.430 4.353 0.077 19437
658 1 19 . 1 1 16 16 SER H H 16 8.090 8.090 7.540 0.550 19437
659 1 19 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.405 0.045 19437
660 1 19 . 1 1 17 17 PHE H H 17 8.520 8.520 7.751 0.769 19437
661 1 19 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.801 0.049 19437
662 1 19 . 1 1 18 18 VAL H H 18 7.930 7.930 7.318 0.612 19437
663 1 19 . 1 1 19 19 GLY H H 19 8.220 8.220 7.716 0.504 19437
664 1 19 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.293 -0.073 19437
665 1 19 . 1 1 20 20 LEU H H 20 7.850 7.850 7.525 0.325 19437
666 1 20 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.300 0.070 19437
667 1 20 . 1 1 2 2 ALA H H 2 8.690 8.690 8.293 0.397 19437
668 1 20 . 1 1 3 3 GLY H H 3 8.340 8.340 8.477 -0.137 19437
669 1 20 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.649 0.101 19437
670 1 20 . 1 1 4 4 HIS H H 4 8.340 8.340 7.765 0.575 19437
671 1 20 . 1 1 5 5 GLY H H 5 8.520 8.520 7.925 0.595 19437
672 1 20 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.022 0.348 19437
673 1 20 . 1 1 6 6 GLN H H 6 8.280 8.280 8.192 0.088 19437
674 1 20 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.843 0.327 19437
675 1 20 . 1 1 7 7 ILE H H 7 8.230 8.230 7.392 0.838 19437
676 1 20 . 1 1 8 8 SER HA H 8 4.410 4.410 4.316 0.094 19437
677 1 20 . 1 1 8 8 SER H H 8 8.300 8.300 8.073 0.227 19437
678 1 20 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.524 0.216 19437
679 1 20 . 1 1 9 9 HIS H H 9 8.550 8.550 7.890 0.660 19437
680 1 20 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.976 0.304 19437
681 1 20 . 1 1 10 10 LYS H H 10 8.260 8.260 7.604 0.656 19437
682 1 20 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.212 0.088 19437
683 1 20 . 1 1 11 11 ARG H H 11 8.370 8.370 7.444 0.926 19437
684 1 20 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.547 0.203 19437
685 1 20 . 1 1 12 12 HIS H H 12 8.570 8.570 7.841 0.729 19437
686 1 20 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.297 0.043 19437
687 1 20 . 1 1 13 13 LYS H H 13 8.650 8.650 7.633 1.017 19437
688 1 20 . 1 1 14 14 THR HA H 14 4.300 4.300 4.284 0.016 19437
689 1 20 . 1 1 14 14 THR H H 14 8.190 8.190 7.517 0.673 19437
690 1 20 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.647 0.013 19437
691 1 20 . 1 1 15 15 ASP H H 15 8.370 8.370 8.268 0.102 19437
692 1 20 . 1 1 16 16 SER HA H 16 4.430 4.430 4.366 0.064 19437
693 1 20 . 1 1 16 16 SER H H 16 8.090 8.090 7.610 0.480 19437
694 1 20 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.413 0.037 19437
695 1 20 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437
696 1 20 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.943 -0.093 19437
697 1 20 . 1 1 18 18 VAL H H 18 7.930 7.930 7.344 0.586 19437
698 1 20 . 1 1 19 19 GLY H H 19 8.220 8.220 7.690 0.530 19437
699 1 20 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.278 -0.058 19437
700 1 20 . 1 1 20 20 LEU H H 20 7.850 7.850 7.574 0.276 19437
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 19437
2 1 1 "Average Difference" HA 19 0.249 -0.093 0.237 19437
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19437
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19437
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19437
6 1 1 "Average Difference" HN 19 0.683 -0.597 0.341 19437
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19437
8 1 2 "Average Difference" HA 19 0.169 -0.108 0.134 19437
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19437
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19437
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19437
12 1 2 "Average Difference" HN 19 0.550 -0.429 0.354 19437
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19437
14 1 3 "Average Difference" HA 19 0.229 -0.136 0.190 19437
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19437
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19437
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19437
18 1 3 "Average Difference" HN 19 0.593 -0.538 0.255 19437
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19437
20 1 4 "Average Difference" HA 19 0.181 -0.115 0.144 19437
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19437
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19437
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19437
24 1 4 "Average Difference" HN 19 0.554 -0.448 0.334 19437
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19437
26 1 5 "Average Difference" HA 19 0.220 -0.135 0.179 19437
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19437
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19437
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19437
30 1 5 "Average Difference" HN 19 0.683 -0.571 0.385 19437
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19437
32 1 6 "Average Difference" HA 19 0.211 -0.160 0.142 19437
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19437
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19437
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19437
36 1 6 "Average Difference" HN 19 0.543 -0.435 0.334 19437
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19437
38 1 7 "Average Difference" HA 19 0.224 -0.142 0.178 19437
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19437
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19437
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19437
42 1 7 "Average Difference" HN 19 0.663 -0.571 0.346 19437
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19437
44 1 8 "Average Difference" HA 19 0.216 -0.123 0.182 19437
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19437
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19437
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19437
48 1 8 "Average Difference" HN 19 0.648 -0.546 0.358 19437
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19437
50 1 9 "Average Difference" HA 19 0.261 -0.132 0.232 19437
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19437
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19437
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19437
54 1 9 "Average Difference" HN 19 0.618 -0.529 0.329 19437
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19437
56 1 10 "Average Difference" HA 19 0.279 -0.191 0.210 19437
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19437
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19437
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19437
60 1 10 "Average Difference" HN 19 0.578 -0.475 0.338 19437
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19437
62 1 11 "Average Difference" HA 19 0.317 -0.126 0.298 19437
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19437
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19437
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19437
66 1 11 "Average Difference" HN 19 0.637 -0.530 0.363 19437
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19437
68 1 12 "Average Difference" HA 19 0.192 -0.106 0.164 19437
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19437
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19437
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19437
72 1 12 "Average Difference" HN 19 0.596 -0.513 0.312 19437
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19437
74 1 13 "Average Difference" HA 19 0.174 -0.078 0.160 19437
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19437
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19437
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19437
78 1 13 "Average Difference" HN 19 0.669 -0.569 0.362 19437
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19437
80 1 14 "Average Difference" HA 19 0.247 -0.138 0.210 19437
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19437
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19437
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19437
84 1 14 "Average Difference" HN 19 0.719 -0.612 0.388 19437
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19437
86 1 15 "Average Difference" HA 19 0.194 -0.127 0.151 19437
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19437
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19437
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19437
90 1 15 "Average Difference" HN 19 0.659 -0.559 0.358 19437
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19437
92 1 16 "Average Difference" HA 19 0.211 -0.056 0.208 19437
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19437
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19437
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19437
96 1 16 "Average Difference" HN 19 0.591 -0.514 0.300 19437
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19437
98 1 17 "Average Difference" HA 19 0.219 -0.133 0.179 19437
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19437
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19437
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19437
102 1 17 "Average Difference" HN 19 0.656 -0.581 0.311 19437
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19437
104 1 18 "Average Difference" HA 19 0.193 -0.135 0.142 19437
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19437
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19437
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19437
108 1 18 "Average Difference" HN 19 0.666 -0.575 0.345 19437
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19437
110 1 19 "Average Difference" HA 19 0.251 -0.171 0.189 19437
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19437
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19437
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19437
114 1 19 "Average Difference" HN 19 0.608 -0.548 0.272 19437
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19437
116 1 20 "Average Difference" HA 19 0.157 -0.099 0.126 19437
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19437
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19437
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19437
120 1 20 "Average Difference" HN 19 0.604 -0.527 0.304 19437
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 19437
_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 ALA HA H 2 4.370 4.370 4.375 -0.005 19437
2 1 . 1 1 2 2 ALA H H 2 8.690 8.690 8.338 0.352 19437
3 1 . 1 1 3 3 GLY H H 3 8.340 8.340 8.733 -0.393 19437
4 1 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.429 0.321 19437
5 1 . 1 1 4 4 HIS H H 4 8.340 8.340 7.872 0.468 19437
6 1 . 1 1 5 5 GLY H H 5 8.520 8.520 7.872 0.648 19437
7 1 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.088 0.282 19437
8 1 . 1 1 6 6 GLN H H 6 8.280 8.280 7.854 0.426 19437
9 1 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.920 0.250 19437
10 1 . 1 1 7 7 ILE H H 7 8.230 8.230 7.445 0.785 19437
11 1 . 1 1 8 8 SER HA H 8 4.410 4.410 4.324 0.086 19437
12 1 . 1 1 8 8 SER H H 8 8.300 8.300 7.848 0.452 19437
13 1 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.414 0.326 19437
14 1 . 1 1 9 9 HIS H H 9 8.550 8.550 7.857 0.693 19437
15 1 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.139 0.141 19437
16 1 . 1 1 10 10 LYS H H 10 8.260 8.260 7.750 0.510 19437
17 1 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.199 0.101 19437
18 1 . 1 1 11 11 ARG H H 11 8.370 8.370 7.651 0.718 19437
19 1 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.636 0.114 19437
20 1 . 1 1 12 12 HIS H H 12 8.570 8.570 7.949 0.620 19437
21 1 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.097 0.243 19437
22 1 . 1 1 13 13 LYS H H 13 8.650 8.650 7.704 0.946 19437
23 1 . 1 1 14 14 THR HA H 14 4.300 4.300 4.182 0.118 19437
24 1 . 1 1 14 14 THR H H 14 8.190 8.190 7.650 0.540 19437
25 1 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.604 0.056 19437
26 1 . 1 1 15 15 ASP H H 15 8.370 8.370 7.769 0.601 19437
27 1 . 1 1 16 16 SER HA H 16 4.430 4.430 4.339 0.091 19437
28 1 . 1 1 16 16 SER H H 16 8.090 8.090 7.562 0.528 19437
29 1 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.425 0.025 19437
30 1 . 1 1 17 17 PHE H H 17 8.520 8.520 7.699 0.821 19437
31 1 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.808 0.042 19437
32 1 . 1 1 18 18 VAL H H 18 7.930 7.930 7.321 0.609 19437
33 1 . 1 1 19 19 GLY H H 19 8.220 8.220 7.716 0.504 19437
34 1 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.365 -0.145 19437
35 1 . 1 1 20 20 LEU H H 20 7.850 7.850 7.545 0.305 19437
stop_
save_