data_19581 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19581 _Entry.PDB_ID 2MG1 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 19581 _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 LYS HA H 2 4.210 4.210 4.109 0.101 19581 2 1 1 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.495 0.305 19581 3 1 1 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.284 0.816 19581 4 1 1 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.093 -0.003 19581 5 1 1 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.194 -0.094 19581 6 1 1 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.027 0.673 19581 7 1 1 . 1 1 3 3 LYS H H 3 8.170 8.170 8.356 -0.186 19581 8 1 1 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.079 0.211 19581 9 1 1 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.567 -0.167 19581 10 1 1 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.112 1.188 19581 11 1 1 . 1 1 4 4 LEU H H 4 7.210 7.210 7.621 -0.411 19581 12 1 1 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.067 0.223 19581 13 1 1 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.238 -0.938 19581 14 1 1 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.167 -0.267 19581 15 1 1 . 1 1 5 5 PHE H H 5 7.670 7.670 7.663 0.007 19581 16 1 1 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.476 0.244 19581 17 1 1 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.491 -1.091 19581 18 1 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.794 0.206 19581 19 1 1 . 1 1 6 6 ILE H H 6 7.790 7.790 8.732 -0.942 19581 20 1 1 . 1 1 7 7 MET HA H 7 4.170 4.170 4.000 0.170 19581 21 1 1 . 1 1 7 7 MET CA C 7 58.700 58.700 59.602 -0.902 19581 22 1 1 . 1 1 7 7 MET CB C 7 32.500 32.500 32.538 -0.038 19581 23 1 1 . 1 1 7 7 MET H H 7 7.800 7.800 7.700 0.100 19581 24 1 1 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.691 0.139 19581 25 1 1 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.023 0.077 19581 26 1 1 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.660 0.740 19581 27 1 1 . 1 1 8 8 ILE H H 8 8.190 8.190 7.708 0.482 19581 28 1 1 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.754 -0.114 19581 29 1 1 . 1 1 9 9 VAL CA C 9 67.000 67.000 64.948 2.052 19581 30 1 1 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.151 1.349 19581 31 1 1 . 1 1 9 9 VAL H H 9 8.350 8.350 7.822 0.528 19581 32 1 1 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.495 -0.595 19581 33 1 1 . 1 1 10 10 GLY H H 10 8.370 8.370 8.502 -0.132 19581 34 1 1 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.505 -0.205 19581 35 1 1 . 1 1 11 11 GLY H H 11 7.800 7.800 7.558 0.242 19581 36 1 1 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.087 0.173 19581 37 1 1 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.227 0.573 19581 38 1 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.469 0.631 19581 39 1 1 . 1 1 12 12 LEU H H 12 8.070 8.070 7.347 0.723 19581 40 1 1 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.627 0.073 19581 41 1 1 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.272 0.428 19581 42 1 1 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.477 0.423 19581 43 1 1 . 1 1 13 13 VAL H H 13 8.450 8.450 8.363 0.087 19581 44 1 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.187 -0.187 19581 45 1 1 . 1 1 14 14 GLY H H 14 7.900 7.900 8.441 -0.541 19581 46 1 1 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.083 0.037 19581 47 1 1 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.346 0.354 19581 48 1 1 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.222 0.778 19581 49 1 1 . 1 1 15 15 LEU H H 15 7.800 7.800 7.483 0.317 19581 50 1 1 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.116 -0.006 19581 51 1 1 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.190 0.010 19581 52 1 1 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.561 -0.161 19581 53 1 1 . 1 1 16 16 ARG H H 16 7.750 7.750 8.079 -0.329 19581 54 1 1 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.843 0.027 19581 55 1 1 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.811 0.189 19581 56 1 1 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.913 -0.013 19581 57 1 1 . 1 1 17 17 ILE H H 17 7.910 7.910 7.407 0.503 19581 58 1 1 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.542 0.018 19581 59 1 1 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.843 0.657 19581 60 1 1 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.676 -0.076 19581 61 1 1 . 1 1 18 18 VAL H H 18 8.030 8.030 8.247 -0.217 19581 62 1 1 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.047 0.293 19581 63 1 1 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.404 -0.404 19581 64 1 1 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.754 -0.354 19581 65 1 1 . 1 1 19 19 PHE H H 19 8.370 8.370 8.631 -0.261 19581 66 1 1 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.796 0.354 19581 67 1 1 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.271 0.629 19581 68 1 1 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.066 -0.666 19581 69 1 1 . 1 1 20 20 ALA H H 20 8.190 8.190 8.040 0.150 19581 70 1 1 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.643 -0.013 19581 71 1 1 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.528 0.772 19581 72 1 1 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.084 0.616 19581 73 1 1 . 1 1 21 21 VAL H H 21 8.690 8.690 7.983 0.707 19581 74 1 1 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.851 0.199 19581 75 1 1 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.233 0.167 19581 76 1 1 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.532 0.168 19581 77 1 1 . 1 1 22 22 LEU H H 22 8.910 8.910 8.398 0.512 19581 78 1 1 . 1 1 23 23 SER HA H 23 4.130 4.130 3.958 0.172 19581 79 1 1 . 1 1 23 23 SER CA C 23 62.500 62.500 61.329 1.171 19581 80 1 1 . 1 1 23 23 SER CB C 23 62.700 62.700 62.942 -0.242 19581 81 1 1 . 1 1 23 23 SER H H 23 8.070 8.070 7.945 0.125 19581 82 1 1 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.772 0.058 19581 83 1 1 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.979 0.921 19581 84 1 1 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.975 0.325 19581 85 1 1 . 1 1 24 24 ILE H H 24 8.100 8.100 8.121 -0.021 19581 86 1 1 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.039 0.081 19581 87 1 1 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.759 -0.159 19581 88 1 1 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.036 -0.036 19581 89 1 1 . 1 1 25 25 LYS H H 25 8.540 8.540 7.958 0.582 19581 90 1 1 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.151 0.049 19581 91 1 1 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.498 0.302 19581 92 1 1 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.815 -0.415 19581 93 1 1 . 1 1 26 26 LYS H H 26 8.350 8.350 7.739 0.611 19581 94 1 2 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.151 0.059 19581 95 1 2 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.643 0.157 19581 96 1 2 . 1 1 2 2 LYS CB C 2 33.100 33.100 31.824 1.276 19581 97 1 2 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.081 0.009 19581 98 1 2 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.062 0.038 19581 99 1 2 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.716 0.984 19581 100 1 2 . 1 1 3 3 LYS H H 3 8.170 8.170 8.367 -0.197 19581 101 1 2 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.092 0.198 19581 102 1 2 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.403 -0.003 19581 103 1 2 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.678 0.622 19581 104 1 2 . 1 1 4 4 LEU H H 4 7.210 7.210 7.463 -0.253 19581 105 1 2 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.048 0.242 19581 106 1 2 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.312 -1.012 19581 107 1 2 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.266 -0.366 19581 108 1 2 . 1 1 5 5 PHE H H 5 7.670 7.670 8.031 -0.361 19581 109 1 2 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.520 0.200 19581 110 1 2 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.447 -1.047 19581 111 1 2 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.768 0.232 19581 112 1 2 . 1 1 6 6 ILE H H 6 7.790 7.790 8.791 -1.001 19581 113 1 2 . 1 1 7 7 MET HA H 7 4.170 4.170 4.063 0.107 19581 114 1 2 . 1 1 7 7 MET CA C 7 58.700 58.700 58.988 -0.288 19581 115 1 2 . 1 1 7 7 MET CB C 7 32.500 32.500 32.182 0.318 19581 116 1 2 . 1 1 7 7 MET H H 7 7.800 7.800 7.437 0.363 19581 117 1 2 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.669 0.161 19581 118 1 2 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.113 -0.013 19581 119 1 2 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.650 0.750 19581 120 1 2 . 1 1 8 8 ILE H H 8 8.190 8.190 7.678 0.512 19581 121 1 2 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.636 0.004 19581 122 1 2 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.804 1.196 19581 123 1 2 . 1 1 9 9 VAL CB C 9 31.500 31.500 31.015 0.485 19581 124 1 2 . 1 1 9 9 VAL H H 9 8.350 8.350 7.852 0.498 19581 125 1 2 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.426 -0.526 19581 126 1 2 . 1 1 10 10 GLY H H 10 8.370 8.370 8.405 -0.035 19581 127 1 2 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.630 -0.330 19581 128 1 2 . 1 1 11 11 GLY H H 11 7.800 7.800 7.466 0.334 19581 129 1 2 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.107 0.153 19581 130 1 2 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.450 0.350 19581 131 1 2 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.509 0.591 19581 132 1 2 . 1 1 12 12 LEU H H 12 8.070 8.070 7.356 0.714 19581 133 1 2 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.733 -0.033 19581 134 1 2 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.246 0.454 19581 135 1 2 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.951 0.949 19581 136 1 2 . 1 1 13 13 VAL H H 13 8.450 8.450 8.529 -0.079 19581 137 1 2 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.139 -0.139 19581 138 1 2 . 1 1 14 14 GLY H H 14 7.900 7.900 7.845 0.055 19581 139 1 2 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.092 0.028 19581 140 1 2 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.737 -0.037 19581 141 1 2 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.228 0.772 19581 142 1 2 . 1 1 15 15 LEU H H 15 7.800 7.800 8.186 -0.386 19581 143 1 2 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.133 -0.023 19581 144 1 2 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.201 -0.001 19581 145 1 2 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.669 -0.269 19581 146 1 2 . 1 1 16 16 ARG H H 16 7.750 7.750 7.677 0.073 19581 147 1 2 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.787 0.083 19581 148 1 2 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.027 -0.027 19581 149 1 2 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.891 0.009 19581 150 1 2 . 1 1 17 17 ILE H H 17 7.910 7.910 7.510 0.400 19581 151 1 2 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.606 -0.046 19581 152 1 2 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.542 0.958 19581 153 1 2 . 1 1 18 18 VAL CB C 18 31.600 31.600 30.927 0.673 19581 154 1 2 . 1 1 18 18 VAL H H 18 8.030 8.030 7.953 0.077 19581 155 1 2 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.057 0.283 19581 156 1 2 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.792 -0.792 19581 157 1 2 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.312 0.088 19581 158 1 2 . 1 1 19 19 PHE H H 19 8.370 8.370 8.652 -0.282 19581 159 1 2 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.070 0.080 19581 160 1 2 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.474 0.426 19581 161 1 2 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.130 -0.730 19581 162 1 2 . 1 1 20 20 ALA H H 20 8.190 8.190 7.769 0.421 19581 163 1 2 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.689 -0.059 19581 164 1 2 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.438 0.862 19581 165 1 2 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.028 0.672 19581 166 1 2 . 1 1 21 21 VAL H H 21 8.690 8.690 7.727 0.963 19581 167 1 2 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.867 0.183 19581 168 1 2 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.435 -0.035 19581 169 1 2 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.440 0.260 19581 170 1 2 . 1 1 22 22 LEU H H 22 8.910 8.910 8.533 0.377 19581 171 1 2 . 1 1 23 23 SER HA H 23 4.130 4.130 4.239 -0.109 19581 172 1 2 . 1 1 23 23 SER CA C 23 62.500 62.500 61.862 0.638 19581 173 1 2 . 1 1 23 23 SER CB C 23 62.700 62.700 63.317 -0.617 19581 174 1 2 . 1 1 23 23 SER H H 23 8.070 8.070 8.180 -0.110 19581 175 1 2 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.831 -0.001 19581 176 1 2 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.075 0.825 19581 177 1 2 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.980 0.320 19581 178 1 2 . 1 1 24 24 ILE H H 24 8.100 8.100 8.204 -0.104 19581 179 1 2 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.031 0.089 19581 180 1 2 . 1 1 25 25 LYS CA C 25 58.600 58.600 59.015 -0.415 19581 181 1 2 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.340 -0.340 19581 182 1 2 . 1 1 25 25 LYS H H 25 8.540 8.540 8.063 0.477 19581 183 1 2 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.172 0.028 19581 184 1 2 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.537 0.263 19581 185 1 2 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.887 -0.487 19581 186 1 2 . 1 1 26 26 LYS H H 26 8.350 8.350 7.663 0.687 19581 187 1 3 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.081 0.129 19581 188 1 3 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.721 0.079 19581 189 1 3 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.693 0.407 19581 190 1 3 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.103 -0.013 19581 191 1 3 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.194 -0.094 19581 192 1 3 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.064 0.636 19581 193 1 3 . 1 1 3 3 LYS H H 3 8.170 8.170 8.293 -0.123 19581 194 1 3 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.046 0.244 19581 195 1 3 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.875 -0.475 19581 196 1 3 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.069 1.231 19581 197 1 3 . 1 1 4 4 LEU H H 4 7.210 7.210 7.568 -0.358 19581 198 1 3 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.087 0.203 19581 199 1 3 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.025 -0.725 19581 200 1 3 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.115 -0.215 19581 201 1 3 . 1 1 5 5 PHE H H 5 7.670 7.670 7.553 0.117 19581 202 1 3 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.437 0.283 19581 203 1 3 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.525 -1.125 19581 204 1 3 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.777 0.223 19581 205 1 3 . 1 1 6 6 ILE H H 6 7.790 7.790 8.689 -0.899 19581 206 1 3 . 1 1 7 7 MET HA H 7 4.170 4.170 4.036 0.134 19581 207 1 3 . 1 1 7 7 MET CA C 7 58.700 58.700 58.795 -0.095 19581 208 1 3 . 1 1 7 7 MET CB C 7 32.500 32.500 32.033 0.467 19581 209 1 3 . 1 1 7 7 MET H H 7 7.800 7.800 8.003 -0.203 19581 210 1 3 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.676 0.154 19581 211 1 3 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.145 -0.045 19581 212 1 3 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.694 0.706 19581 213 1 3 . 1 1 8 8 ILE H H 8 8.190 8.190 7.632 0.558 19581 214 1 3 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.686 -0.046 19581 215 1 3 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.767 1.233 19581 216 1 3 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.537 0.963 19581 217 1 3 . 1 1 9 9 VAL H H 9 8.350 8.350 7.901 0.449 19581 218 1 3 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.252 -0.352 19581 219 1 3 . 1 1 10 10 GLY H H 10 8.370 8.370 8.437 -0.067 19581 220 1 3 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.612 -0.312 19581 221 1 3 . 1 1 11 11 GLY H H 11 7.800 7.800 7.625 0.175 19581 222 1 3 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.049 0.211 19581 223 1 3 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.414 0.386 19581 224 1 3 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.483 0.617 19581 225 1 3 . 1 1 12 12 LEU H H 12 8.070 8.070 7.343 0.727 19581 226 1 3 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.673 0.027 19581 227 1 3 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.058 0.642 19581 228 1 3 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.607 0.293 19581 229 1 3 . 1 1 13 13 VAL H H 13 8.450 8.450 8.421 0.029 19581 230 1 3 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.074 -0.074 19581 231 1 3 . 1 1 14 14 GLY H H 14 7.900 7.900 8.017 -0.117 19581 232 1 3 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.060 0.060 19581 233 1 3 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.600 0.100 19581 234 1 3 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.299 0.701 19581 235 1 3 . 1 1 15 15 LEU H H 15 7.800 7.800 7.793 0.007 19581 236 1 3 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.103 0.007 19581 237 1 3 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.249 -0.049 19581 238 1 3 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.799 -0.399 19581 239 1 3 . 1 1 16 16 ARG H H 16 7.750 7.750 7.749 0.001 19581 240 1 3 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.862 0.008 19581 241 1 3 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.680 0.320 19581 242 1 3 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.873 0.027 19581 243 1 3 . 1 1 17 17 ILE H H 17 7.910 7.910 7.569 0.341 19581 244 1 3 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.660 -0.100 19581 245 1 3 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.290 1.210 19581 246 1 3 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.007 0.593 19581 247 1 3 . 1 1 18 18 VAL H H 18 8.030 8.030 8.241 -0.211 19581 248 1 3 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.073 0.267 19581 249 1 3 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.570 -0.570 19581 250 1 3 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.548 -0.148 19581 251 1 3 . 1 1 19 19 PHE H H 19 8.370 8.370 8.795 -0.425 19581 252 1 3 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.843 0.307 19581 253 1 3 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.318 0.582 19581 254 1 3 . 1 1 20 20 ALA CB C 20 17.400 17.400 17.933 -0.533 19581 255 1 3 . 1 1 20 20 ALA H H 20 8.190 8.190 7.671 0.519 19581 256 1 3 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.632 -0.002 19581 257 1 3 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.681 0.619 19581 258 1 3 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.539 0.161 19581 259 1 3 . 1 1 21 21 VAL H H 21 8.690 8.690 7.536 1.154 19581 260 1 3 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.834 0.216 19581 261 1 3 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.122 0.278 19581 262 1 3 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.344 0.355 19581 263 1 3 . 1 1 22 22 LEU H H 22 8.910 8.910 8.438 0.472 19581 264 1 3 . 1 1 23 23 SER HA H 23 4.130 4.130 3.992 0.138 19581 265 1 3 . 1 1 23 23 SER CA C 23 62.500 62.500 61.142 1.358 19581 266 1 3 . 1 1 23 23 SER CB C 23 62.700 62.700 62.906 -0.206 19581 267 1 3 . 1 1 23 23 SER H H 23 8.070 8.070 7.935 0.135 19581 268 1 3 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.750 0.080 19581 269 1 3 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.137 0.763 19581 270 1 3 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.986 0.314 19581 271 1 3 . 1 1 24 24 ILE H H 24 8.100 8.100 8.184 -0.084 19581 272 1 3 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.023 0.097 19581 273 1 3 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.685 -0.085 19581 274 1 3 . 1 1 25 25 LYS CB C 25 32.000 32.000 31.895 0.104 19581 275 1 3 . 1 1 25 25 LYS H H 25 8.540 8.540 7.970 0.570 19581 276 1 3 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.158 0.042 19581 277 1 3 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.328 0.472 19581 278 1 3 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.136 -0.736 19581 279 1 3 . 1 1 26 26 LYS H H 26 8.350 8.350 7.748 0.602 19581 280 1 4 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.153 0.057 19581 281 1 4 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.798 0.002 19581 282 1 4 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.232 0.868 19581 283 1 4 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.015 0.075 19581 284 1 4 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.399 -0.299 19581 285 1 4 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.013 0.687 19581 286 1 4 . 1 1 3 3 LYS H H 3 8.170 8.170 8.268 -0.098 19581 287 1 4 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.037 0.253 19581 288 1 4 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.939 -0.539 19581 289 1 4 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.823 0.477 19581 290 1 4 . 1 1 4 4 LEU H H 4 7.210 7.210 7.697 -0.487 19581 291 1 4 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.043 0.247 19581 292 1 4 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.057 -0.757 19581 293 1 4 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.111 -0.211 19581 294 1 4 . 1 1 5 5 PHE H H 5 7.670 7.670 7.558 0.112 19581 295 1 4 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.421 0.299 19581 296 1 4 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.527 -1.127 19581 297 1 4 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.768 0.232 19581 298 1 4 . 1 1 6 6 ILE H H 6 7.790 7.790 8.587 -0.797 19581 299 1 4 . 1 1 7 7 MET HA H 7 4.170 4.170 4.002 0.168 19581 300 1 4 . 1 1 7 7 MET CA C 7 58.700 58.700 59.363 -0.663 19581 301 1 4 . 1 1 7 7 MET CB C 7 32.500 32.500 32.498 0.002 19581 302 1 4 . 1 1 7 7 MET H H 7 7.800 7.800 7.662 0.138 19581 303 1 4 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.703 0.127 19581 304 1 4 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.984 0.116 19581 305 1 4 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.893 0.507 19581 306 1 4 . 1 1 8 8 ILE H H 8 8.190 8.190 7.926 0.264 19581 307 1 4 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.654 -0.014 19581 308 1 4 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.383 1.617 19581 309 1 4 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.778 0.722 19581 310 1 4 . 1 1 9 9 VAL H H 9 8.350 8.350 8.132 0.218 19581 311 1 4 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.366 -0.466 19581 312 1 4 . 1 1 10 10 GLY H H 10 8.370 8.370 8.468 -0.098 19581 313 1 4 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.551 -0.251 19581 314 1 4 . 1 1 11 11 GLY H H 11 7.800 7.800 7.501 0.299 19581 315 1 4 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.062 0.198 19581 316 1 4 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.349 0.451 19581 317 1 4 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.486 0.614 19581 318 1 4 . 1 1 12 12 LEU H H 12 8.070 8.070 7.442 0.628 19581 319 1 4 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.745 -0.045 19581 320 1 4 . 1 1 13 13 VAL CA C 13 66.700 66.700 65.872 0.828 19581 321 1 4 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.984 0.916 19581 322 1 4 . 1 1 13 13 VAL H H 13 8.450 8.450 7.965 0.485 19581 323 1 4 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.227 -0.227 19581 324 1 4 . 1 1 14 14 GLY H H 14 7.900 7.900 8.274 -0.374 19581 325 1 4 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.047 0.073 19581 326 1 4 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.586 0.114 19581 327 1 4 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.271 0.729 19581 328 1 4 . 1 1 15 15 LEU H H 15 7.800 7.800 7.757 0.043 19581 329 1 4 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.115 -0.005 19581 330 1 4 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.575 -0.375 19581 331 1 4 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.993 -0.593 19581 332 1 4 . 1 1 16 16 ARG H H 16 7.750 7.750 7.728 0.022 19581 333 1 4 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.772 0.098 19581 334 1 4 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.808 0.192 19581 335 1 4 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.748 0.152 19581 336 1 4 . 1 1 17 17 ILE H H 17 7.910 7.910 7.466 0.444 19581 337 1 4 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.646 -0.086 19581 338 1 4 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.423 1.077 19581 339 1 4 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.037 0.563 19581 340 1 4 . 1 1 18 18 VAL H H 18 8.030 8.030 8.302 -0.272 19581 341 1 4 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.065 0.275 19581 342 1 4 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.559 -0.559 19581 343 1 4 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.599 -0.199 19581 344 1 4 . 1 1 19 19 PHE H H 19 8.370 8.370 8.771 -0.401 19581 345 1 4 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.803 0.347 19581 346 1 4 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.277 0.623 19581 347 1 4 . 1 1 20 20 ALA CB C 20 17.400 17.400 17.948 -0.548 19581 348 1 4 . 1 1 20 20 ALA H H 20 8.190 8.190 7.798 0.392 19581 349 1 4 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.617 0.013 19581 350 1 4 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.718 0.582 19581 351 1 4 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.509 0.191 19581 352 1 4 . 1 1 21 21 VAL H H 21 8.690 8.690 7.664 1.026 19581 353 1 4 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.823 0.227 19581 354 1 4 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.215 0.185 19581 355 1 4 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.275 0.425 19581 356 1 4 . 1 1 22 22 LEU H H 22 8.910 8.910 8.294 0.616 19581 357 1 4 . 1 1 23 23 SER HA H 23 4.130 4.130 4.027 0.103 19581 358 1 4 . 1 1 23 23 SER CA C 23 62.500 62.500 61.320 1.180 19581 359 1 4 . 1 1 23 23 SER CB C 23 62.700 62.700 62.844 -0.144 19581 360 1 4 . 1 1 23 23 SER H H 23 8.070 8.070 7.916 0.154 19581 361 1 4 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.736 0.094 19581 362 1 4 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.931 0.969 19581 363 1 4 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.886 0.414 19581 364 1 4 . 1 1 24 24 ILE H H 24 8.100 8.100 8.202 -0.102 19581 365 1 4 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.013 0.107 19581 366 1 4 . 1 1 25 25 LYS CA C 25 58.600 58.600 59.018 -0.418 19581 367 1 4 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.215 -0.215 19581 368 1 4 . 1 1 25 25 LYS H H 25 8.540 8.540 8.098 0.442 19581 369 1 4 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.139 0.061 19581 370 1 4 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.577 0.223 19581 371 1 4 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.082 -0.682 19581 372 1 4 . 1 1 26 26 LYS H H 26 8.350 8.350 7.882 0.468 19581 373 1 5 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.058 0.152 19581 374 1 5 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.301 -0.501 19581 375 1 5 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.144 0.956 19581 376 1 5 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.120 -0.029 19581 377 1 5 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.873 0.227 19581 378 1 5 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.671 1.030 19581 379 1 5 . 1 1 3 3 LYS H H 3 8.170 8.170 8.342 -0.172 19581 380 1 5 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.078 0.212 19581 381 1 5 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.611 -0.211 19581 382 1 5 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.362 0.938 19581 383 1 5 . 1 1 4 4 LEU H H 4 7.210 7.210 7.875 -0.665 19581 384 1 5 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.019 0.271 19581 385 1 5 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.303 -1.003 19581 386 1 5 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.144 -0.244 19581 387 1 5 . 1 1 5 5 PHE H H 5 7.670 7.670 8.417 -0.747 19581 388 1 5 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.470 0.250 19581 389 1 5 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.473 -1.073 19581 390 1 5 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.811 0.189 19581 391 1 5 . 1 1 6 6 ILE H H 6 7.790 7.790 8.413 -0.623 19581 392 1 5 . 1 1 7 7 MET HA H 7 4.170 4.170 4.015 0.155 19581 393 1 5 . 1 1 7 7 MET CA C 7 58.700 58.700 59.432 -0.732 19581 394 1 5 . 1 1 7 7 MET CB C 7 32.500 32.500 32.522 -0.022 19581 395 1 5 . 1 1 7 7 MET H H 7 7.800 7.800 7.613 0.187 19581 396 1 5 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.668 0.162 19581 397 1 5 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.085 0.015 19581 398 1 5 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.698 0.702 19581 399 1 5 . 1 1 8 8 ILE H H 8 8.190 8.190 7.904 0.286 19581 400 1 5 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.659 -0.019 19581 401 1 5 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.445 1.555 19581 402 1 5 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.970 0.530 19581 403 1 5 . 1 1 9 9 VAL H H 9 8.350 8.350 7.973 0.377 19581 404 1 5 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.538 -0.638 19581 405 1 5 . 1 1 10 10 GLY H H 10 8.370 8.370 8.462 -0.092 19581 406 1 5 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.767 -0.467 19581 407 1 5 . 1 1 11 11 GLY H H 11 7.800 7.800 7.466 0.334 19581 408 1 5 . 1 1 12 12 LEU HA H 12 4.260 4.260 3.980 0.280 19581 409 1 5 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.482 0.318 19581 410 1 5 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.417 0.682 19581 411 1 5 . 1 1 12 12 LEU H H 12 8.070 8.070 7.435 0.635 19581 412 1 5 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.660 0.040 19581 413 1 5 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.537 0.163 19581 414 1 5 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.285 0.615 19581 415 1 5 . 1 1 13 13 VAL H H 13 8.450 8.450 8.132 0.318 19581 416 1 5 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.163 -0.163 19581 417 1 5 . 1 1 14 14 GLY H H 14 7.900 7.900 8.289 -0.389 19581 418 1 5 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.114 0.006 19581 419 1 5 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.445 0.255 19581 420 1 5 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.223 0.777 19581 421 1 5 . 1 1 15 15 LEU H H 15 7.800 7.800 8.388 -0.588 19581 422 1 5 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.075 0.035 19581 423 1 5 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.606 -0.406 19581 424 1 5 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.903 -0.503 19581 425 1 5 . 1 1 16 16 ARG H H 16 7.750 7.750 7.633 0.117 19581 426 1 5 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.798 0.072 19581 427 1 5 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.956 0.044 19581 428 1 5 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.849 0.051 19581 429 1 5 . 1 1 17 17 ILE H H 17 7.910 7.910 7.518 0.392 19581 430 1 5 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.638 -0.078 19581 431 1 5 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.685 0.815 19581 432 1 5 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.334 0.266 19581 433 1 5 . 1 1 18 18 VAL H H 18 8.030 8.030 7.783 0.247 19581 434 1 5 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.031 0.309 19581 435 1 5 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.674 -0.674 19581 436 1 5 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.704 -0.304 19581 437 1 5 . 1 1 19 19 PHE H H 19 8.370 8.370 8.754 -0.384 19581 438 1 5 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.817 0.333 19581 439 1 5 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.272 0.628 19581 440 1 5 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.023 -0.623 19581 441 1 5 . 1 1 20 20 ALA H H 20 8.190 8.190 7.872 0.318 19581 442 1 5 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.502 0.128 19581 443 1 5 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.513 0.787 19581 444 1 5 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.625 0.075 19581 445 1 5 . 1 1 21 21 VAL H H 21 8.690 8.690 7.728 0.962 19581 446 1 5 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.802 0.248 19581 447 1 5 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.300 0.100 19581 448 1 5 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.520 0.180 19581 449 1 5 . 1 1 22 22 LEU H H 22 8.910 8.910 8.378 0.532 19581 450 1 5 . 1 1 23 23 SER HA H 23 4.130 4.130 3.941 0.189 19581 451 1 5 . 1 1 23 23 SER CA C 23 62.500 62.500 61.342 1.158 19581 452 1 5 . 1 1 23 23 SER CB C 23 62.700 62.700 62.886 -0.186 19581 453 1 5 . 1 1 23 23 SER H H 23 8.070 8.070 7.914 0.156 19581 454 1 5 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.769 0.061 19581 455 1 5 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.018 0.882 19581 456 1 5 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.985 0.315 19581 457 1 5 . 1 1 24 24 ILE H H 24 8.100 8.100 8.026 0.074 19581 458 1 5 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.038 0.082 19581 459 1 5 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.408 0.192 19581 460 1 5 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.307 -0.307 19581 461 1 5 . 1 1 25 25 LYS H H 25 8.540 8.540 7.886 0.654 19581 462 1 5 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.159 0.041 19581 463 1 5 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.550 0.250 19581 464 1 5 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.951 -0.551 19581 465 1 5 . 1 1 26 26 LYS H H 26 8.350 8.350 7.746 0.604 19581 466 1 6 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.057 0.153 19581 467 1 6 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.389 -0.589 19581 468 1 6 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.087 1.014 19581 469 1 6 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.055 0.035 19581 470 1 6 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.856 0.243 19581 471 1 6 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.778 0.922 19581 472 1 6 . 1 1 3 3 LYS H H 3 8.170 8.170 8.168 0.002 19581 473 1 6 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.136 0.154 19581 474 1 6 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.341 0.059 19581 475 1 6 . 1 1 4 4 LEU CB C 4 42.300 42.300 40.881 1.419 19581 476 1 6 . 1 1 4 4 LEU H H 4 7.210 7.210 8.152 -0.942 19581 477 1 6 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.149 0.141 19581 478 1 6 . 1 1 5 5 PHE CA C 5 61.300 61.300 61.936 -0.636 19581 479 1 6 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.256 -0.356 19581 480 1 6 . 1 1 5 5 PHE H H 5 7.670 7.670 7.620 0.050 19581 481 1 6 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.670 0.050 19581 482 1 6 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.436 -1.036 19581 483 1 6 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.914 0.086 19581 484 1 6 . 1 1 6 6 ILE H H 6 7.790 7.790 8.083 -0.293 19581 485 1 6 . 1 1 7 7 MET HA H 7 4.170 4.170 4.102 0.068 19581 486 1 6 . 1 1 7 7 MET CA C 7 58.700 58.700 58.523 0.177 19581 487 1 6 . 1 1 7 7 MET CB C 7 32.500 32.500 31.765 0.735 19581 488 1 6 . 1 1 7 7 MET H H 7 7.800 7.800 8.006 -0.206 19581 489 1 6 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.780 0.050 19581 490 1 6 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.554 0.546 19581 491 1 6 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.849 0.551 19581 492 1 6 . 1 1 8 8 ILE H H 8 8.190 8.190 7.498 0.692 19581 493 1 6 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.812 -0.172 19581 494 1 6 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.416 1.584 19581 495 1 6 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.660 0.840 19581 496 1 6 . 1 1 9 9 VAL H H 9 8.350 8.350 7.480 0.870 19581 497 1 6 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.072 -0.172 19581 498 1 6 . 1 1 10 10 GLY H H 10 8.370 8.370 8.506 -0.136 19581 499 1 6 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.690 -0.390 19581 500 1 6 . 1 1 11 11 GLY H H 11 7.800 7.800 7.614 0.186 19581 501 1 6 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.048 0.212 19581 502 1 6 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.466 0.334 19581 503 1 6 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.422 0.677 19581 504 1 6 . 1 1 12 12 LEU H H 12 8.070 8.070 7.503 0.567 19581 505 1 6 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.671 0.029 19581 506 1 6 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.750 -0.050 19581 507 1 6 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.209 0.691 19581 508 1 6 . 1 1 13 13 VAL H H 13 8.450 8.450 7.870 0.580 19581 509 1 6 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.227 -0.227 19581 510 1 6 . 1 1 14 14 GLY H H 14 7.900 7.900 8.098 -0.198 19581 511 1 6 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.023 0.097 19581 512 1 6 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.577 0.123 19581 513 1 6 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.218 0.782 19581 514 1 6 . 1 1 15 15 LEU H H 15 7.800 7.800 8.189 -0.389 19581 515 1 6 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.050 0.060 19581 516 1 6 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.819 -0.619 19581 517 1 6 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.027 -0.627 19581 518 1 6 . 1 1 16 16 ARG H H 16 7.750 7.750 7.546 0.204 19581 519 1 6 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.743 0.127 19581 520 1 6 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.279 -0.279 19581 521 1 6 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.865 0.035 19581 522 1 6 . 1 1 17 17 ILE H H 17 7.910 7.910 7.500 0.410 19581 523 1 6 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.639 -0.079 19581 524 1 6 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.888 0.612 19581 525 1 6 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.411 0.189 19581 526 1 6 . 1 1 18 18 VAL H H 18 8.030 8.030 8.253 -0.223 19581 527 1 6 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.046 0.294 19581 528 1 6 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.518 -0.518 19581 529 1 6 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.786 -0.386 19581 530 1 6 . 1 1 19 19 PHE H H 19 8.370 8.370 8.679 -0.309 19581 531 1 6 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.814 0.336 19581 532 1 6 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.279 0.621 19581 533 1 6 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.043 -0.643 19581 534 1 6 . 1 1 20 20 ALA H H 20 8.190 8.190 8.056 0.134 19581 535 1 6 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.644 -0.014 19581 536 1 6 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.462 0.838 19581 537 1 6 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.078 0.622 19581 538 1 6 . 1 1 21 21 VAL H H 21 8.690 8.690 7.670 1.020 19581 539 1 6 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.791 0.259 19581 540 1 6 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.394 0.006 19581 541 1 6 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.531 0.169 19581 542 1 6 . 1 1 22 22 LEU H H 22 8.910 8.910 8.472 0.438 19581 543 1 6 . 1 1 23 23 SER HA H 23 4.130 4.130 3.949 0.181 19581 544 1 6 . 1 1 23 23 SER CA C 23 62.500 62.500 62.344 0.156 19581 545 1 6 . 1 1 23 23 SER CB C 23 62.700 62.700 62.741 -0.041 19581 546 1 6 . 1 1 23 23 SER H H 23 8.070 8.070 7.978 0.092 19581 547 1 6 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.742 0.088 19581 548 1 6 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.919 0.981 19581 549 1 6 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.022 0.278 19581 550 1 6 . 1 1 24 24 ILE H H 24 8.100 8.100 7.872 0.228 19581 551 1 6 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.059 0.061 19581 552 1 6 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.717 -0.117 19581 553 1 6 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.408 -0.408 19581 554 1 6 . 1 1 25 25 LYS H H 25 8.540 8.540 7.895 0.645 19581 555 1 6 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.215 -0.015 19581 556 1 6 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.339 1.461 19581 557 1 6 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.538 -0.138 19581 558 1 6 . 1 1 26 26 LYS H H 26 8.350 8.350 7.567 0.783 19581 559 1 7 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.133 0.077 19581 560 1 7 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.759 0.041 19581 561 1 7 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.454 0.646 19581 562 1 7 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.096 -0.006 19581 563 1 7 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.213 -0.113 19581 564 1 7 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.997 0.703 19581 565 1 7 . 1 1 3 3 LYS H H 3 8.170 8.170 8.397 -0.227 19581 566 1 7 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.108 0.182 19581 567 1 7 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.535 -0.135 19581 568 1 7 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.006 1.294 19581 569 1 7 . 1 1 4 4 LEU H H 4 7.210 7.210 7.553 -0.343 19581 570 1 7 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.058 0.232 19581 571 1 7 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.237 -0.937 19581 572 1 7 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.145 -0.245 19581 573 1 7 . 1 1 5 5 PHE H H 5 7.670 7.670 7.776 -0.106 19581 574 1 7 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.480 0.240 19581 575 1 7 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.563 -1.163 19581 576 1 7 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.810 0.190 19581 577 1 7 . 1 1 6 6 ILE H H 6 7.790 7.790 8.614 -0.824 19581 578 1 7 . 1 1 7 7 MET HA H 7 4.170 4.170 4.003 0.167 19581 579 1 7 . 1 1 7 7 MET CA C 7 58.700 58.700 59.362 -0.662 19581 580 1 7 . 1 1 7 7 MET CB C 7 32.500 32.500 32.197 0.303 19581 581 1 7 . 1 1 7 7 MET H H 7 7.800 7.800 7.775 0.025 19581 582 1 7 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.663 0.167 19581 583 1 7 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.103 -0.003 19581 584 1 7 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.446 0.954 19581 585 1 7 . 1 1 8 8 ILE H H 8 8.190 8.190 7.735 0.455 19581 586 1 7 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.665 -0.025 19581 587 1 7 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.546 1.454 19581 588 1 7 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.124 1.376 19581 589 1 7 . 1 1 9 9 VAL H H 9 8.350 8.350 7.790 0.560 19581 590 1 7 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.259 -0.359 19581 591 1 7 . 1 1 10 10 GLY H H 10 8.370 8.370 8.469 -0.099 19581 592 1 7 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.663 -0.363 19581 593 1 7 . 1 1 11 11 GLY H H 11 7.800 7.800 7.833 -0.033 19581 594 1 7 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.085 0.175 19581 595 1 7 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.492 0.308 19581 596 1 7 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.493 0.607 19581 597 1 7 . 1 1 12 12 LEU H H 12 8.070 8.070 7.430 0.640 19581 598 1 7 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.730 -0.030 19581 599 1 7 . 1 1 13 13 VAL CA C 13 66.700 66.700 65.828 0.872 19581 600 1 7 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.722 1.178 19581 601 1 7 . 1 1 13 13 VAL H H 13 8.450 8.450 8.135 0.315 19581 602 1 7 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.403 -0.403 19581 603 1 7 . 1 1 14 14 GLY H H 14 7.900 7.900 8.220 -0.320 19581 604 1 7 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.092 0.028 19581 605 1 7 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.492 0.208 19581 606 1 7 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.363 0.637 19581 607 1 7 . 1 1 15 15 LEU H H 15 7.800 7.800 7.515 0.285 19581 608 1 7 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.122 -0.012 19581 609 1 7 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.736 -0.536 19581 610 1 7 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.915 -0.515 19581 611 1 7 . 1 1 16 16 ARG H H 16 7.750 7.750 7.610 0.140 19581 612 1 7 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.809 0.061 19581 613 1 7 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.841 0.159 19581 614 1 7 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.811 0.089 19581 615 1 7 . 1 1 17 17 ILE H H 17 7.910 7.910 7.410 0.500 19581 616 1 7 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.504 0.056 19581 617 1 7 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.778 0.722 19581 618 1 7 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.472 0.128 19581 619 1 7 . 1 1 18 18 VAL H H 18 8.030 8.030 8.189 -0.159 19581 620 1 7 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.082 0.258 19581 621 1 7 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.481 -0.481 19581 622 1 7 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.463 -0.063 19581 623 1 7 . 1 1 19 19 PHE H H 19 8.370 8.370 8.190 0.180 19581 624 1 7 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.073 0.077 19581 625 1 7 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.463 0.437 19581 626 1 7 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.135 -0.735 19581 627 1 7 . 1 1 20 20 ALA H H 20 8.190 8.190 7.769 0.421 19581 628 1 7 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.694 -0.064 19581 629 1 7 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.497 0.803 19581 630 1 7 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.074 0.626 19581 631 1 7 . 1 1 21 21 VAL H H 21 8.690 8.690 7.857 0.833 19581 632 1 7 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.867 0.183 19581 633 1 7 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.365 0.035 19581 634 1 7 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.396 0.304 19581 635 1 7 . 1 1 22 22 LEU H H 22 8.910 8.910 8.514 0.396 19581 636 1 7 . 1 1 23 23 SER HA H 23 4.130 4.130 4.179 -0.049 19581 637 1 7 . 1 1 23 23 SER CA C 23 62.500 62.500 61.628 0.872 19581 638 1 7 . 1 1 23 23 SER CB C 23 62.700 62.700 63.301 -0.601 19581 639 1 7 . 1 1 23 23 SER H H 23 8.070 8.070 8.188 -0.118 19581 640 1 7 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.855 -0.025 19581 641 1 7 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.778 1.122 19581 642 1 7 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.193 0.107 19581 643 1 7 . 1 1 24 24 ILE H H 24 8.100 8.100 8.130 -0.030 19581 644 1 7 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.079 0.041 19581 645 1 7 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.248 0.352 19581 646 1 7 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.371 -0.371 19581 647 1 7 . 1 1 25 25 LYS H H 25 8.540 8.540 7.862 0.678 19581 648 1 7 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.203 -0.003 19581 649 1 7 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.422 0.378 19581 650 1 7 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.307 -0.907 19581 651 1 7 . 1 1 26 26 LYS H H 26 8.350 8.350 7.691 0.659 19581 652 1 8 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.122 0.088 19581 653 1 8 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.548 0.252 19581 654 1 8 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.514 0.586 19581 655 1 8 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.069 0.021 19581 656 1 8 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.261 -0.162 19581 657 1 8 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.000 0.701 19581 658 1 8 . 1 1 3 3 LYS H H 3 8.170 8.170 8.378 -0.208 19581 659 1 8 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.048 0.242 19581 660 1 8 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.706 -0.306 19581 661 1 8 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.743 0.557 19581 662 1 8 . 1 1 4 4 LEU H H 4 7.210 7.210 7.581 -0.371 19581 663 1 8 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.049 0.241 19581 664 1 8 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.048 -0.748 19581 665 1 8 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.185 -0.285 19581 666 1 8 . 1 1 5 5 PHE H H 5 7.670 7.670 7.541 0.129 19581 667 1 8 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.489 0.231 19581 668 1 8 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.543 -1.143 19581 669 1 8 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.792 0.208 19581 670 1 8 . 1 1 6 6 ILE H H 6 7.790 7.790 8.802 -1.012 19581 671 1 8 . 1 1 7 7 MET HA H 7 4.170 4.170 4.089 0.081 19581 672 1 8 . 1 1 7 7 MET CA C 7 58.700 58.700 58.064 0.636 19581 673 1 8 . 1 1 7 7 MET CB C 7 32.500 32.500 31.718 0.782 19581 674 1 8 . 1 1 7 7 MET H H 7 7.800 7.800 7.790 0.010 19581 675 1 8 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.714 0.116 19581 676 1 8 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.981 0.119 19581 677 1 8 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.640 0.760 19581 678 1 8 . 1 1 8 8 ILE H H 8 8.190 8.190 7.671 0.519 19581 679 1 8 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.702 -0.062 19581 680 1 8 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.116 1.884 19581 681 1 8 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.149 1.351 19581 682 1 8 . 1 1 9 9 VAL H H 9 8.350 8.350 7.925 0.425 19581 683 1 8 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.469 -0.569 19581 684 1 8 . 1 1 10 10 GLY H H 10 8.370 8.370 8.531 -0.161 19581 685 1 8 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.436 -0.136 19581 686 1 8 . 1 1 11 11 GLY H H 11 7.800 7.800 7.364 0.436 19581 687 1 8 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.054 0.206 19581 688 1 8 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.451 0.349 19581 689 1 8 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.514 0.586 19581 690 1 8 . 1 1 12 12 LEU H H 12 8.070 8.070 7.361 0.709 19581 691 1 8 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.639 0.061 19581 692 1 8 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.333 0.367 19581 693 1 8 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.441 0.459 19581 694 1 8 . 1 1 13 13 VAL H H 13 8.450 8.450 8.506 -0.056 19581 695 1 8 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.258 -0.258 19581 696 1 8 . 1 1 14 14 GLY H H 14 7.900 7.900 7.622 0.278 19581 697 1 8 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.052 0.068 19581 698 1 8 . 1 1 15 15 LEU CA C 15 57.700 57.700 58.017 -0.317 19581 699 1 8 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.207 0.793 19581 700 1 8 . 1 1 15 15 LEU H H 15 7.800 7.800 8.324 -0.524 19581 701 1 8 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.147 -0.037 19581 702 1 8 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.367 -0.167 19581 703 1 8 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.543 -0.143 19581 704 1 8 . 1 1 16 16 ARG H H 16 7.750 7.750 7.626 0.124 19581 705 1 8 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.773 0.097 19581 706 1 8 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.000 0.000 19581 707 1 8 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.691 0.209 19581 708 1 8 . 1 1 17 17 ILE H H 17 7.910 7.910 7.293 0.617 19581 709 1 8 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.587 -0.027 19581 710 1 8 . 1 1 18 18 VAL CA C 18 67.500 67.500 67.075 0.425 19581 711 1 8 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.210 0.390 19581 712 1 8 . 1 1 18 18 VAL H H 18 8.030 8.030 8.388 -0.358 19581 713 1 8 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.077 0.263 19581 714 1 8 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.368 -0.368 19581 715 1 8 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.446 -0.046 19581 716 1 8 . 1 1 19 19 PHE H H 19 8.370 8.370 8.179 0.191 19581 717 1 8 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.069 0.081 19581 718 1 8 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.477 0.423 19581 719 1 8 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.180 -0.780 19581 720 1 8 . 1 1 20 20 ALA H H 20 8.190 8.190 8.078 0.112 19581 721 1 8 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.682 -0.052 19581 722 1 8 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.567 0.733 19581 723 1 8 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.032 0.668 19581 724 1 8 . 1 1 21 21 VAL H H 21 8.690 8.690 8.190 0.500 19581 725 1 8 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.843 0.207 19581 726 1 8 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.452 -0.051 19581 727 1 8 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.500 0.200 19581 728 1 8 . 1 1 22 22 LEU H H 22 8.910 8.910 8.423 0.487 19581 729 1 8 . 1 1 23 23 SER HA H 23 4.130 4.130 4.188 -0.058 19581 730 1 8 . 1 1 23 23 SER CA C 23 62.500 62.500 61.532 0.968 19581 731 1 8 . 1 1 23 23 SER CB C 23 62.700 62.700 63.296 -0.596 19581 732 1 8 . 1 1 23 23 SER H H 23 8.070 8.070 8.112 -0.042 19581 733 1 8 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.841 -0.011 19581 734 1 8 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.985 0.915 19581 735 1 8 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.037 0.263 19581 736 1 8 . 1 1 24 24 ILE H H 24 8.100 8.100 8.191 -0.091 19581 737 1 8 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.067 0.053 19581 738 1 8 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.688 -0.088 19581 739 1 8 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.339 -0.339 19581 740 1 8 . 1 1 25 25 LYS H H 25 8.540 8.540 7.968 0.572 19581 741 1 8 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.234 -0.034 19581 742 1 8 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.212 1.588 19581 743 1 8 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.847 -0.447 19581 744 1 8 . 1 1 26 26 LYS H H 26 8.350 8.350 7.615 0.735 19581 745 1 9 . 1 1 2 2 LYS HA H 2 4.210 4.210 3.965 0.245 19581 746 1 9 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.168 -0.368 19581 747 1 9 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.181 0.919 19581 748 1 9 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.108 -0.018 19581 749 1 9 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.821 0.279 19581 750 1 9 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.896 0.804 19581 751 1 9 . 1 1 3 3 LYS H H 3 8.170 8.170 8.276 -0.106 19581 752 1 9 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.131 0.159 19581 753 1 9 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.363 0.037 19581 754 1 9 . 1 1 4 4 LEU CB C 4 42.300 42.300 40.954 1.346 19581 755 1 9 . 1 1 4 4 LEU H H 4 7.210 7.210 7.726 -0.516 19581 756 1 9 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.073 0.217 19581 757 1 9 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.303 -1.003 19581 758 1 9 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.070 -0.170 19581 759 1 9 . 1 1 5 5 PHE H H 5 7.670 7.670 7.667 0.003 19581 760 1 9 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.435 0.285 19581 761 1 9 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.516 -1.116 19581 762 1 9 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.803 0.197 19581 763 1 9 . 1 1 6 6 ILE H H 6 7.790 7.790 8.614 -0.824 19581 764 1 9 . 1 1 7 7 MET HA H 7 4.170 4.170 4.032 0.138 19581 765 1 9 . 1 1 7 7 MET CA C 7 58.700 58.700 58.768 -0.068 19581 766 1 9 . 1 1 7 7 MET CB C 7 32.500 32.500 32.256 0.244 19581 767 1 9 . 1 1 7 7 MET H H 7 7.800 7.800 7.686 0.114 19581 768 1 9 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.759 0.071 19581 769 1 9 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.781 0.319 19581 770 1 9 . 1 1 8 8 ILE CB C 8 38.400 38.400 38.068 0.332 19581 771 1 9 . 1 1 8 8 ILE H H 8 8.190 8.190 7.915 0.275 19581 772 1 9 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.649 -0.009 19581 773 1 9 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.383 1.617 19581 774 1 9 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.264 1.236 19581 775 1 9 . 1 1 9 9 VAL H H 9 8.350 8.350 8.114 0.236 19581 776 1 9 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.161 -0.261 19581 777 1 9 . 1 1 10 10 GLY H H 10 8.370 8.370 8.209 0.161 19581 778 1 9 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.304 -0.004 19581 779 1 9 . 1 1 11 11 GLY H H 11 7.800 7.800 7.545 0.255 19581 780 1 9 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.125 0.135 19581 781 1 9 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.257 0.543 19581 782 1 9 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.538 0.562 19581 783 1 9 . 1 1 12 12 LEU H H 12 8.070 8.070 7.507 0.563 19581 784 1 9 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.746 -0.046 19581 785 1 9 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.161 0.539 19581 786 1 9 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.626 0.274 19581 787 1 9 . 1 1 13 13 VAL H H 13 8.450 8.450 8.448 0.002 19581 788 1 9 . 1 1 14 14 GLY CA C 14 47.000 47.000 46.965 0.035 19581 789 1 9 . 1 1 14 14 GLY H H 14 7.900 7.900 7.531 0.369 19581 790 1 9 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.046 0.074 19581 791 1 9 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.027 0.673 19581 792 1 9 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.372 0.628 19581 793 1 9 . 1 1 15 15 LEU H H 15 7.800 7.800 7.615 0.185 19581 794 1 9 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.140 -0.030 19581 795 1 9 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.353 -0.153 19581 796 1 9 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.526 -0.126 19581 797 1 9 . 1 1 16 16 ARG H H 16 7.750 7.750 8.094 -0.344 19581 798 1 9 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.886 -0.016 19581 799 1 9 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.715 0.285 19581 800 1 9 . 1 1 17 17 ILE CB C 17 37.900 37.900 38.172 -0.272 19581 801 1 9 . 1 1 17 17 ILE H H 17 7.910 7.910 7.630 0.280 19581 802 1 9 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.605 -0.045 19581 803 1 9 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.418 1.082 19581 804 1 9 . 1 1 18 18 VAL CB C 18 31.600 31.600 30.870 0.730 19581 805 1 9 . 1 1 18 18 VAL H H 18 8.030 8.030 7.693 0.337 19581 806 1 9 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.075 0.265 19581 807 1 9 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.775 -0.775 19581 808 1 9 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.268 0.132 19581 809 1 9 . 1 1 19 19 PHE H H 19 8.370 8.370 8.858 -0.488 19581 810 1 9 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.045 0.105 19581 811 1 9 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.428 0.472 19581 812 1 9 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.044 -0.644 19581 813 1 9 . 1 1 20 20 ALA H H 20 8.190 8.190 7.691 0.499 19581 814 1 9 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.679 -0.049 19581 815 1 9 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.786 0.514 19581 816 1 9 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.537 0.164 19581 817 1 9 . 1 1 21 21 VAL H H 21 8.690 8.690 7.847 0.843 19581 818 1 9 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.858 0.192 19581 819 1 9 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.281 0.119 19581 820 1 9 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.495 0.205 19581 821 1 9 . 1 1 22 22 LEU H H 22 8.910 8.910 8.483 0.427 19581 822 1 9 . 1 1 23 23 SER HA H 23 4.130 4.130 4.238 -0.108 19581 823 1 9 . 1 1 23 23 SER CA C 23 62.500 62.500 62.009 0.491 19581 824 1 9 . 1 1 23 23 SER CB C 23 62.700 62.700 63.233 -0.533 19581 825 1 9 . 1 1 23 23 SER H H 23 8.070 8.070 8.288 -0.218 19581 826 1 9 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.836 -0.006 19581 827 1 9 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.136 0.764 19581 828 1 9 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.961 0.339 19581 829 1 9 . 1 1 24 24 ILE H H 24 8.100 8.100 8.392 -0.292 19581 830 1 9 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.043 0.077 19581 831 1 9 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.759 -0.159 19581 832 1 9 . 1 1 25 25 LYS CB C 25 32.000 32.000 31.988 0.011 19581 833 1 9 . 1 1 25 25 LYS H H 25 8.540 8.540 8.069 0.471 19581 834 1 9 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.179 0.021 19581 835 1 9 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.352 0.448 19581 836 1 9 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.166 -0.766 19581 837 1 9 . 1 1 26 26 LYS H H 26 8.350 8.350 7.663 0.687 19581 838 1 10 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.046 0.164 19581 839 1 10 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.163 -0.362 19581 840 1 10 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.582 0.518 19581 841 1 10 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.114 -0.024 19581 842 1 10 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.168 -0.068 19581 843 1 10 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.039 0.661 19581 844 1 10 . 1 1 3 3 LYS H H 3 8.170 8.170 8.447 -0.277 19581 845 1 10 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.140 0.150 19581 846 1 10 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.597 -0.197 19581 847 1 10 . 1 1 4 4 LEU CB C 4 42.300 42.300 40.906 1.394 19581 848 1 10 . 1 1 4 4 LEU H H 4 7.210 7.210 7.906 -0.696 19581 849 1 10 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.068 0.222 19581 850 1 10 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.338 -1.038 19581 851 1 10 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.120 -0.220 19581 852 1 10 . 1 1 5 5 PHE H H 5 7.670 7.670 8.045 -0.375 19581 853 1 10 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.446 0.274 19581 854 1 10 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.523 -1.123 19581 855 1 10 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.781 0.219 19581 856 1 10 . 1 1 6 6 ILE H H 6 7.790 7.790 8.769 -0.979 19581 857 1 10 . 1 1 7 7 MET HA H 7 4.170 4.170 4.037 0.133 19581 858 1 10 . 1 1 7 7 MET CA C 7 58.700 58.700 58.568 0.132 19581 859 1 10 . 1 1 7 7 MET CB C 7 32.500 32.500 31.992 0.508 19581 860 1 10 . 1 1 7 7 MET H H 7 7.800 7.800 7.793 0.007 19581 861 1 10 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.738 0.092 19581 862 1 10 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.996 0.104 19581 863 1 10 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.809 0.591 19581 864 1 10 . 1 1 8 8 ILE H H 8 8.190 8.190 7.793 0.397 19581 865 1 10 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.710 -0.070 19581 866 1 10 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.135 1.865 19581 867 1 10 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.206 1.294 19581 868 1 10 . 1 1 9 9 VAL H H 9 8.350 8.350 7.995 0.355 19581 869 1 10 . 1 1 10 10 GLY CA C 10 46.900 46.900 46.812 0.088 19581 870 1 10 . 1 1 10 10 GLY H H 10 8.370 8.370 8.455 -0.085 19581 871 1 10 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.397 -0.097 19581 872 1 10 . 1 1 11 11 GLY H H 11 7.800 7.800 7.394 0.406 19581 873 1 10 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.044 0.216 19581 874 1 10 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.541 0.258 19581 875 1 10 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.449 0.651 19581 876 1 10 . 1 1 12 12 LEU H H 12 8.070 8.070 7.428 0.642 19581 877 1 10 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.774 -0.074 19581 878 1 10 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.016 0.684 19581 879 1 10 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.166 0.734 19581 880 1 10 . 1 1 13 13 VAL H H 13 8.450 8.450 7.862 0.588 19581 881 1 10 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.224 -0.224 19581 882 1 10 . 1 1 14 14 GLY H H 14 7.900 7.900 7.995 -0.095 19581 883 1 10 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.056 0.064 19581 884 1 10 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.682 0.018 19581 885 1 10 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.410 0.590 19581 886 1 10 . 1 1 15 15 LEU H H 15 7.800 7.800 7.507 0.293 19581 887 1 10 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.105 0.005 19581 888 1 10 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.532 -0.332 19581 889 1 10 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.885 -0.485 19581 890 1 10 . 1 1 16 16 ARG H H 16 7.750 7.750 7.697 0.053 19581 891 1 10 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.839 0.031 19581 892 1 10 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.756 0.244 19581 893 1 10 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.799 0.101 19581 894 1 10 . 1 1 17 17 ILE H H 17 7.910 7.910 7.253 0.657 19581 895 1 10 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.628 -0.068 19581 896 1 10 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.625 0.875 19581 897 1 10 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.012 0.588 19581 898 1 10 . 1 1 18 18 VAL H H 18 8.030 8.030 8.543 -0.513 19581 899 1 10 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.103 0.237 19581 900 1 10 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.913 -0.913 19581 901 1 10 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.323 0.077 19581 902 1 10 . 1 1 19 19 PHE H H 19 8.370 8.370 8.691 -0.321 19581 903 1 10 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.872 0.278 19581 904 1 10 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.070 0.830 19581 905 1 10 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.046 -0.646 19581 906 1 10 . 1 1 20 20 ALA H H 20 8.190 8.190 7.652 0.538 19581 907 1 10 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.636 -0.006 19581 908 1 10 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.501 0.798 19581 909 1 10 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.031 0.669 19581 910 1 10 . 1 1 21 21 VAL H H 21 8.690 8.690 8.006 0.684 19581 911 1 10 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.851 0.199 19581 912 1 10 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.224 0.176 19581 913 1 10 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.538 0.162 19581 914 1 10 . 1 1 22 22 LEU H H 22 8.910 8.910 8.556 0.354 19581 915 1 10 . 1 1 23 23 SER HA H 23 4.130 4.130 4.043 0.087 19581 916 1 10 . 1 1 23 23 SER CA C 23 62.500 62.500 61.397 1.103 19581 917 1 10 . 1 1 23 23 SER CB C 23 62.700 62.700 62.880 -0.180 19581 918 1 10 . 1 1 23 23 SER H H 23 8.070 8.070 7.882 0.188 19581 919 1 10 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.703 0.127 19581 920 1 10 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.039 0.861 19581 921 1 10 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.870 0.430 19581 922 1 10 . 1 1 24 24 ILE H H 24 8.100 8.100 8.198 -0.098 19581 923 1 10 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.022 0.098 19581 924 1 10 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.780 -0.180 19581 925 1 10 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.039 -0.040 19581 926 1 10 . 1 1 25 25 LYS H H 25 8.540 8.540 7.873 0.667 19581 927 1 10 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.174 0.026 19581 928 1 10 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.041 0.759 19581 929 1 10 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.166 -0.766 19581 930 1 10 . 1 1 26 26 LYS H H 26 8.350 8.350 7.775 0.575 19581 931 1 11 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.039 0.171 19581 932 1 11 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.797 0.003 19581 933 1 11 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.053 1.047 19581 934 1 11 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.129 -0.039 19581 935 1 11 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.933 0.167 19581 936 1 11 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.793 0.907 19581 937 1 11 . 1 1 3 3 LYS H H 3 8.170 8.170 8.204 -0.034 19581 938 1 11 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.045 0.245 19581 939 1 11 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.880 -0.480 19581 940 1 11 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.676 0.624 19581 941 1 11 . 1 1 4 4 LEU H H 4 7.210 7.210 7.548 -0.338 19581 942 1 11 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.026 0.264 19581 943 1 11 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.353 -1.053 19581 944 1 11 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.204 -0.304 19581 945 1 11 . 1 1 5 5 PHE H H 5 7.670 7.670 8.136 -0.466 19581 946 1 11 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.538 0.182 19581 947 1 11 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.571 -1.171 19581 948 1 11 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.847 0.153 19581 949 1 11 . 1 1 6 6 ILE H H 6 7.790 7.790 8.488 -0.698 19581 950 1 11 . 1 1 7 7 MET HA H 7 4.170 4.170 4.040 0.130 19581 951 1 11 . 1 1 7 7 MET CA C 7 58.700 58.700 59.288 -0.588 19581 952 1 11 . 1 1 7 7 MET CB C 7 32.500 32.500 32.387 0.113 19581 953 1 11 . 1 1 7 7 MET H H 7 7.800 7.800 7.553 0.247 19581 954 1 11 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.660 0.170 19581 955 1 11 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.098 0.002 19581 956 1 11 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.461 0.939 19581 957 1 11 . 1 1 8 8 ILE H H 8 8.190 8.190 8.040 0.150 19581 958 1 11 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.650 -0.010 19581 959 1 11 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.444 1.556 19581 960 1 11 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.057 1.443 19581 961 1 11 . 1 1 9 9 VAL H H 9 8.350 8.350 7.917 0.433 19581 962 1 11 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.470 -0.570 19581 963 1 11 . 1 1 10 10 GLY H H 10 8.370 8.370 8.319 0.051 19581 964 1 11 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.502 -0.202 19581 965 1 11 . 1 1 11 11 GLY H H 11 7.800 7.800 7.538 0.262 19581 966 1 11 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.074 0.186 19581 967 1 11 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.467 0.334 19581 968 1 11 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.423 0.677 19581 969 1 11 . 1 1 12 12 LEU H H 12 8.070 8.070 7.406 0.664 19581 970 1 11 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.750 -0.050 19581 971 1 11 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.091 0.608 19581 972 1 11 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.819 1.081 19581 973 1 11 . 1 1 13 13 VAL H H 13 8.450 8.450 8.424 0.026 19581 974 1 11 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.196 -0.196 19581 975 1 11 . 1 1 14 14 GLY H H 14 7.900 7.900 8.419 -0.519 19581 976 1 11 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.034 0.086 19581 977 1 11 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.142 0.558 19581 978 1 11 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.488 0.512 19581 979 1 11 . 1 1 15 15 LEU H H 15 7.800 7.800 7.522 0.278 19581 980 1 11 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.159 -0.049 19581 981 1 11 . 1 1 16 16 ARG CA C 16 59.200 59.200 58.951 0.249 19581 982 1 11 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.165 0.235 19581 983 1 11 . 1 1 16 16 ARG H H 16 7.750 7.750 8.192 -0.442 19581 984 1 11 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.808 0.062 19581 985 1 11 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.852 0.148 19581 986 1 11 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.883 0.017 19581 987 1 11 . 1 1 17 17 ILE H H 17 7.910 7.910 7.524 0.386 19581 988 1 11 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.600 -0.040 19581 989 1 11 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.840 0.660 19581 990 1 11 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.245 0.354 19581 991 1 11 . 1 1 18 18 VAL H H 18 8.030 8.030 7.732 0.298 19581 992 1 11 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.063 0.277 19581 993 1 11 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.799 -0.799 19581 994 1 11 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.462 -0.062 19581 995 1 11 . 1 1 19 19 PHE H H 19 8.370 8.370 8.726 -0.356 19581 996 1 11 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.168 -0.018 19581 997 1 11 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.006 0.894 19581 998 1 11 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.401 -1.001 19581 999 1 11 . 1 1 20 20 ALA H H 20 8.190 8.190 7.775 0.415 19581 1000 1 11 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.740 -0.110 19581 1001 1 11 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.455 0.845 19581 1002 1 11 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.633 0.067 19581 1003 1 11 . 1 1 21 21 VAL H H 21 8.690 8.690 7.682 1.008 19581 1004 1 11 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.826 0.224 19581 1005 1 11 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.507 -0.107 19581 1006 1 11 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.310 0.390 19581 1007 1 11 . 1 1 22 22 LEU H H 22 8.910 8.910 8.491 0.419 19581 1008 1 11 . 1 1 23 23 SER HA H 23 4.130 4.130 4.161 -0.031 19581 1009 1 11 . 1 1 23 23 SER CA C 23 62.500 62.500 61.329 1.171 19581 1010 1 11 . 1 1 23 23 SER CB C 23 62.700 62.700 63.211 -0.511 19581 1011 1 11 . 1 1 23 23 SER H H 23 8.070 8.070 8.420 -0.350 19581 1012 1 11 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.869 -0.039 19581 1013 1 11 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.995 0.905 19581 1014 1 11 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.074 0.226 19581 1015 1 11 . 1 1 24 24 ILE H H 24 8.100 8.100 7.729 0.371 19581 1016 1 11 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.091 0.029 19581 1017 1 11 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.402 0.198 19581 1018 1 11 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.174 -0.174 19581 1019 1 11 . 1 1 25 25 LYS H H 25 8.540 8.540 7.957 0.583 19581 1020 1 11 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.192 0.008 19581 1021 1 11 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.208 0.592 19581 1022 1 11 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.049 -0.649 19581 1023 1 11 . 1 1 26 26 LYS H H 26 8.350 8.350 7.632 0.718 19581 1024 1 12 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.115 0.095 19581 1025 1 12 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.596 0.204 19581 1026 1 12 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.461 0.639 19581 1027 1 12 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.082 0.008 19581 1028 1 12 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.363 -0.263 19581 1029 1 12 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.008 0.692 19581 1030 1 12 . 1 1 3 3 LYS H H 3 8.170 8.170 8.371 -0.201 19581 1031 1 12 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.010 0.280 19581 1032 1 12 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.331 0.069 19581 1033 1 12 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.739 0.562 19581 1034 1 12 . 1 1 4 4 LEU H H 4 7.210 7.210 7.559 -0.349 19581 1035 1 12 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.086 0.204 19581 1036 1 12 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.145 -0.845 19581 1037 1 12 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.356 -0.456 19581 1038 1 12 . 1 1 5 5 PHE H H 5 7.670 7.670 7.662 0.008 19581 1039 1 12 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.476 0.244 19581 1040 1 12 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.638 -1.238 19581 1041 1 12 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.815 0.186 19581 1042 1 12 . 1 1 6 6 ILE H H 6 7.790 7.790 8.715 -0.925 19581 1043 1 12 . 1 1 7 7 MET HA H 7 4.170 4.170 4.048 0.122 19581 1044 1 12 . 1 1 7 7 MET CA C 7 58.700 58.700 58.503 0.197 19581 1045 1 12 . 1 1 7 7 MET CB C 7 32.500 32.500 31.956 0.544 19581 1046 1 12 . 1 1 7 7 MET H H 7 7.800 7.800 7.664 0.136 19581 1047 1 12 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.733 0.097 19581 1048 1 12 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.895 0.205 19581 1049 1 12 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.875 0.525 19581 1050 1 12 . 1 1 8 8 ILE H H 8 8.190 8.190 7.644 0.546 19581 1051 1 12 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.647 -0.007 19581 1052 1 12 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.375 1.625 19581 1053 1 12 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.329 1.171 19581 1054 1 12 . 1 1 9 9 VAL H H 9 8.350 8.350 7.970 0.380 19581 1055 1 12 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.275 -0.375 19581 1056 1 12 . 1 1 10 10 GLY H H 10 8.370 8.370 8.288 0.082 19581 1057 1 12 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.585 -0.285 19581 1058 1 12 . 1 1 11 11 GLY H H 11 7.800 7.800 7.625 0.175 19581 1059 1 12 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.031 0.229 19581 1060 1 12 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.561 0.239 19581 1061 1 12 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.501 0.599 19581 1062 1 12 . 1 1 12 12 LEU H H 12 8.070 8.070 7.382 0.688 19581 1063 1 12 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.702 -0.002 19581 1064 1 12 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.170 0.530 19581 1065 1 12 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.855 1.045 19581 1066 1 12 . 1 1 13 13 VAL H H 13 8.450 8.450 8.185 0.265 19581 1067 1 12 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.233 -0.233 19581 1068 1 12 . 1 1 14 14 GLY H H 14 7.900 7.900 7.944 -0.044 19581 1069 1 12 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.091 0.029 19581 1070 1 12 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.186 0.514 19581 1071 1 12 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.051 0.949 19581 1072 1 12 . 1 1 15 15 LEU H H 15 7.800 7.800 8.301 -0.501 19581 1073 1 12 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.100 0.010 19581 1074 1 12 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.085 0.115 19581 1075 1 12 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.724 -0.324 19581 1076 1 12 . 1 1 16 16 ARG H H 16 7.750 7.750 7.639 0.111 19581 1077 1 12 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.751 0.119 19581 1078 1 12 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.990 0.010 19581 1079 1 12 . 1 1 17 17 ILE CB C 17 37.900 37.900 38.039 -0.139 19581 1080 1 12 . 1 1 17 17 ILE H H 17 7.910 7.910 7.536 0.374 19581 1081 1 12 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.541 0.019 19581 1082 1 12 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.684 0.816 19581 1083 1 12 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.654 -0.053 19581 1084 1 12 . 1 1 18 18 VAL H H 18 8.030 8.030 7.883 0.147 19581 1085 1 12 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.055 0.285 19581 1086 1 12 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.463 -0.463 19581 1087 1 12 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.763 -0.363 19581 1088 1 12 . 1 1 19 19 PHE H H 19 8.370 8.370 8.836 -0.466 19581 1089 1 12 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.812 0.338 19581 1090 1 12 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.203 0.697 19581 1091 1 12 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.021 -0.621 19581 1092 1 12 . 1 1 20 20 ALA H H 20 8.190 8.190 7.648 0.542 19581 1093 1 12 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.512 0.118 19581 1094 1 12 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.523 0.777 19581 1095 1 12 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.626 0.074 19581 1096 1 12 . 1 1 21 21 VAL H H 21 8.690 8.690 7.670 1.020 19581 1097 1 12 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.813 0.237 19581 1098 1 12 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.142 0.259 19581 1099 1 12 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.622 0.078 19581 1100 1 12 . 1 1 22 22 LEU H H 22 8.910 8.910 8.428 0.482 19581 1101 1 12 . 1 1 23 23 SER HA H 23 4.130 4.130 3.999 0.131 19581 1102 1 12 . 1 1 23 23 SER CA C 23 62.500 62.500 61.249 1.250 19581 1103 1 12 . 1 1 23 23 SER CB C 23 62.700 62.700 62.891 -0.191 19581 1104 1 12 . 1 1 23 23 SER H H 23 8.070 8.070 7.835 0.235 19581 1105 1 12 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.758 0.072 19581 1106 1 12 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.065 0.835 19581 1107 1 12 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.902 0.398 19581 1108 1 12 . 1 1 24 24 ILE H H 24 8.100 8.100 8.172 -0.072 19581 1109 1 12 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.048 0.072 19581 1110 1 12 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.739 -0.139 19581 1111 1 12 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.122 -0.122 19581 1112 1 12 . 1 1 25 25 LYS H H 25 8.540 8.540 7.954 0.586 19581 1113 1 12 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.188 0.012 19581 1114 1 12 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.846 0.954 19581 1115 1 12 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.189 -0.789 19581 1116 1 12 . 1 1 26 26 LYS H H 26 8.350 8.350 7.503 0.847 19581 1117 1 13 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.129 0.081 19581 1118 1 13 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.712 0.088 19581 1119 1 13 . 1 1 2 2 LYS CB C 2 33.100 33.100 31.780 1.320 19581 1120 1 13 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.090 -0.000 19581 1121 1 13 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.134 -0.034 19581 1122 1 13 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.002 0.698 19581 1123 1 13 . 1 1 3 3 LYS H H 3 8.170 8.170 8.285 -0.115 19581 1124 1 13 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.061 0.229 19581 1125 1 13 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.278 0.122 19581 1126 1 13 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.721 0.579 19581 1127 1 13 . 1 1 4 4 LEU H H 4 7.210 7.210 7.869 -0.659 19581 1128 1 13 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.073 0.217 19581 1129 1 13 . 1 1 5 5 PHE CA C 5 61.300 61.300 61.941 -0.642 19581 1130 1 13 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.197 -0.296 19581 1131 1 13 . 1 1 5 5 PHE H H 5 7.670 7.670 7.512 0.158 19581 1132 1 13 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.420 0.300 19581 1133 1 13 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.510 -1.109 19581 1134 1 13 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.725 0.275 19581 1135 1 13 . 1 1 6 6 ILE H H 6 7.790 7.790 8.322 -0.532 19581 1136 1 13 . 1 1 7 7 MET HA H 7 4.170 4.170 4.003 0.167 19581 1137 1 13 . 1 1 7 7 MET CA C 7 58.700 58.700 59.381 -0.681 19581 1138 1 13 . 1 1 7 7 MET CB C 7 32.500 32.500 32.471 0.029 19581 1139 1 13 . 1 1 7 7 MET H H 7 7.800 7.800 7.398 0.402 19581 1140 1 13 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.668 0.162 19581 1141 1 13 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.010 0.090 19581 1142 1 13 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.707 0.693 19581 1143 1 13 . 1 1 8 8 ILE H H 8 8.190 8.190 7.821 0.369 19581 1144 1 13 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.629 0.011 19581 1145 1 13 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.507 1.493 19581 1146 1 13 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.508 0.992 19581 1147 1 13 . 1 1 9 9 VAL H H 9 8.350 8.350 7.935 0.415 19581 1148 1 13 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.340 -0.440 19581 1149 1 13 . 1 1 10 10 GLY H H 10 8.370 8.370 8.307 0.063 19581 1150 1 13 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.682 -0.382 19581 1151 1 13 . 1 1 11 11 GLY H H 11 7.800 7.800 7.488 0.312 19581 1152 1 13 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.009 0.251 19581 1153 1 13 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.443 0.357 19581 1154 1 13 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.517 0.584 19581 1155 1 13 . 1 1 12 12 LEU H H 12 8.070 8.070 7.352 0.718 19581 1156 1 13 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.598 0.102 19581 1157 1 13 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.232 0.468 19581 1158 1 13 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.401 0.499 19581 1159 1 13 . 1 1 13 13 VAL H H 13 8.450 8.450 7.815 0.635 19581 1160 1 13 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.353 -0.353 19581 1161 1 13 . 1 1 14 14 GLY H H 14 7.900 7.900 8.302 -0.402 19581 1162 1 13 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.091 0.029 19581 1163 1 13 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.309 0.391 19581 1164 1 13 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.035 0.965 19581 1165 1 13 . 1 1 15 15 LEU H H 15 7.800 7.800 7.796 0.004 19581 1166 1 13 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.090 0.020 19581 1167 1 13 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.227 -0.027 19581 1168 1 13 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.811 -0.411 19581 1169 1 13 . 1 1 16 16 ARG H H 16 7.750 7.750 7.521 0.229 19581 1170 1 13 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.724 0.146 19581 1171 1 13 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.485 -0.485 19581 1172 1 13 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.864 0.036 19581 1173 1 13 . 1 1 17 17 ILE H H 17 7.910 7.910 7.683 0.227 19581 1174 1 13 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.605 -0.045 19581 1175 1 13 . 1 1 18 18 VAL CA C 18 67.500 67.500 67.142 0.358 19581 1176 1 13 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.378 0.222 19581 1177 1 13 . 1 1 18 18 VAL H H 18 8.030 8.030 8.184 -0.154 19581 1178 1 13 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.083 0.257 19581 1179 1 13 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.016 -0.016 19581 1180 1 13 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.624 -0.224 19581 1181 1 13 . 1 1 19 19 PHE H H 19 8.370 8.370 8.599 -0.229 19581 1182 1 13 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.748 0.402 19581 1183 1 13 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.290 0.610 19581 1184 1 13 . 1 1 20 20 ALA CB C 20 17.400 17.400 17.979 -0.579 19581 1185 1 13 . 1 1 20 20 ALA H H 20 8.190 8.190 8.023 0.167 19581 1186 1 13 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.622 0.008 19581 1187 1 13 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.738 0.562 19581 1188 1 13 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.502 0.198 19581 1189 1 13 . 1 1 21 21 VAL H H 21 8.690 8.690 8.159 0.531 19581 1190 1 13 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.796 0.254 19581 1191 1 13 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.446 -0.046 19581 1192 1 13 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.390 0.310 19581 1193 1 13 . 1 1 22 22 LEU H H 22 8.910 8.910 8.157 0.753 19581 1194 1 13 . 1 1 23 23 SER HA H 23 4.130 4.130 3.939 0.191 19581 1195 1 13 . 1 1 23 23 SER CA C 23 62.500 62.500 61.651 0.849 19581 1196 1 13 . 1 1 23 23 SER CB C 23 62.700 62.700 63.042 -0.342 19581 1197 1 13 . 1 1 23 23 SER H H 23 8.070 8.070 7.892 0.178 19581 1198 1 13 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.771 0.059 19581 1199 1 13 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.122 0.778 19581 1200 1 13 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.012 0.288 19581 1201 1 13 . 1 1 24 24 ILE H H 24 8.100 8.100 8.011 0.089 19581 1202 1 13 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.055 0.065 19581 1203 1 13 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.562 0.038 19581 1204 1 13 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.163 -0.163 19581 1205 1 13 . 1 1 25 25 LYS H H 25 8.540 8.540 7.953 0.587 19581 1206 1 13 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.205 -0.005 19581 1207 1 13 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.555 1.245 19581 1208 1 13 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.795 -0.396 19581 1209 1 13 . 1 1 26 26 LYS H H 26 8.350 8.350 7.569 0.781 19581 1210 1 14 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.114 0.096 19581 1211 1 14 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.099 -0.299 19581 1212 1 14 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.148 0.952 19581 1213 1 14 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.129 -0.039 19581 1214 1 14 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.124 -0.024 19581 1215 1 14 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.111 0.589 19581 1216 1 14 . 1 1 3 3 LYS H H 3 8.170 8.170 8.390 -0.220 19581 1217 1 14 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.093 0.197 19581 1218 1 14 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.671 -0.271 19581 1219 1 14 . 1 1 4 4 LEU CB C 4 42.300 42.300 40.928 1.372 19581 1220 1 14 . 1 1 4 4 LEU H H 4 7.210 7.210 7.916 -0.706 19581 1221 1 14 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.067 0.223 19581 1222 1 14 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.256 -0.956 19581 1223 1 14 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.129 -0.229 19581 1224 1 14 . 1 1 5 5 PHE H H 5 7.670 7.670 8.155 -0.485 19581 1225 1 14 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.466 0.254 19581 1226 1 14 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.433 -1.033 19581 1227 1 14 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.758 0.242 19581 1228 1 14 . 1 1 6 6 ILE H H 6 7.790 7.790 8.359 -0.569 19581 1229 1 14 . 1 1 7 7 MET HA H 7 4.170 4.170 4.076 0.094 19581 1230 1 14 . 1 1 7 7 MET CA C 7 58.700 58.700 58.080 0.620 19581 1231 1 14 . 1 1 7 7 MET CB C 7 32.500 32.500 31.513 0.987 19581 1232 1 14 . 1 1 7 7 MET H H 7 7.800 7.800 7.888 -0.088 19581 1233 1 14 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.708 0.122 19581 1234 1 14 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.002 0.098 19581 1235 1 14 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.670 0.730 19581 1236 1 14 . 1 1 8 8 ILE H H 8 8.190 8.190 7.592 0.598 19581 1237 1 14 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.706 -0.066 19581 1238 1 14 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.647 1.353 19581 1239 1 14 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.629 0.871 19581 1240 1 14 . 1 1 9 9 VAL H H 9 8.350 8.350 7.740 0.610 19581 1241 1 14 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.310 -0.410 19581 1242 1 14 . 1 1 10 10 GLY H H 10 8.370 8.370 8.493 -0.123 19581 1243 1 14 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.776 -0.476 19581 1244 1 14 . 1 1 11 11 GLY H H 11 7.800 7.800 7.517 0.283 19581 1245 1 14 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.033 0.227 19581 1246 1 14 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.639 0.161 19581 1247 1 14 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.510 0.590 19581 1248 1 14 . 1 1 12 12 LEU H H 12 8.070 8.070 7.343 0.727 19581 1249 1 14 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.707 -0.007 19581 1250 1 14 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.099 0.601 19581 1251 1 14 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.983 0.917 19581 1252 1 14 . 1 1 13 13 VAL H H 13 8.450 8.450 7.838 0.612 19581 1253 1 14 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.185 -0.186 19581 1254 1 14 . 1 1 14 14 GLY H H 14 7.900 7.900 8.246 -0.346 19581 1255 1 14 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.055 0.065 19581 1256 1 14 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.839 -0.139 19581 1257 1 14 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.319 0.681 19581 1258 1 14 . 1 1 15 15 LEU H H 15 7.800 7.800 8.363 -0.563 19581 1259 1 14 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.068 0.042 19581 1260 1 14 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.511 -0.311 19581 1261 1 14 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.878 -0.478 19581 1262 1 14 . 1 1 16 16 ARG H H 16 7.750 7.750 7.633 0.117 19581 1263 1 14 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.801 0.069 19581 1264 1 14 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.657 0.343 19581 1265 1 14 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.894 0.006 19581 1266 1 14 . 1 1 17 17 ILE H H 17 7.910 7.910 7.444 0.466 19581 1267 1 14 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.529 0.031 19581 1268 1 14 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.799 0.701 19581 1269 1 14 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.631 -0.031 19581 1270 1 14 . 1 1 18 18 VAL H H 18 8.030 8.030 8.389 -0.359 19581 1271 1 14 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.045 0.295 19581 1272 1 14 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.641 -0.641 19581 1273 1 14 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.800 -0.400 19581 1274 1 14 . 1 1 19 19 PHE H H 19 8.370 8.370 8.730 -0.360 19581 1275 1 14 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.808 0.342 19581 1276 1 14 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.193 0.707 19581 1277 1 14 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.015 -0.615 19581 1278 1 14 . 1 1 20 20 ALA H H 20 8.190 8.190 7.686 0.504 19581 1279 1 14 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.495 0.135 19581 1280 1 14 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.626 0.674 19581 1281 1 14 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.640 0.060 19581 1282 1 14 . 1 1 21 21 VAL H H 21 8.690 8.690 7.914 0.776 19581 1283 1 14 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.785 0.265 19581 1284 1 14 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.257 0.143 19581 1285 1 14 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.473 0.227 19581 1286 1 14 . 1 1 22 22 LEU H H 22 8.910 8.910 8.351 0.559 19581 1287 1 14 . 1 1 23 23 SER HA H 23 4.130 4.130 3.947 0.183 19581 1288 1 14 . 1 1 23 23 SER CA C 23 62.500 62.500 61.588 0.912 19581 1289 1 14 . 1 1 23 23 SER CB C 23 62.700 62.700 62.981 -0.281 19581 1290 1 14 . 1 1 23 23 SER H H 23 8.070 8.070 7.870 0.200 19581 1291 1 14 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.783 0.047 19581 1292 1 14 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.018 0.882 19581 1293 1 14 . 1 1 24 24 ILE CB C 24 38.300 38.300 38.014 0.286 19581 1294 1 14 . 1 1 24 24 ILE H H 24 8.100 8.100 8.006 0.094 19581 1295 1 14 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.054 0.066 19581 1296 1 14 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.454 0.146 19581 1297 1 14 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.196 -0.196 19581 1298 1 14 . 1 1 25 25 LYS H H 25 8.540 8.540 7.918 0.622 19581 1299 1 14 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.160 0.040 19581 1300 1 14 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.747 1.053 19581 1301 1 14 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.950 -0.550 19581 1302 1 14 . 1 1 26 26 LYS H H 26 8.350 8.350 7.511 0.839 19581 1303 1 15 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.052 0.158 19581 1304 1 15 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.953 -0.153 19581 1305 1 15 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.608 0.491 19581 1306 1 15 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.134 -0.044 19581 1307 1 15 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.254 -0.154 19581 1308 1 15 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.212 0.487 19581 1309 1 15 . 1 1 3 3 LYS H H 3 8.170 8.170 8.134 0.036 19581 1310 1 15 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.057 0.233 19581 1311 1 15 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.704 -0.304 19581 1312 1 15 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.608 0.691 19581 1313 1 15 . 1 1 4 4 LEU H H 4 7.210 7.210 7.875 -0.665 19581 1314 1 15 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.030 0.260 19581 1315 1 15 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.320 -1.020 19581 1316 1 15 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.240 -0.340 19581 1317 1 15 . 1 1 5 5 PHE H H 5 7.670 7.670 8.061 -0.391 19581 1318 1 15 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.535 0.185 19581 1319 1 15 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.566 -1.166 19581 1320 1 15 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.822 0.178 19581 1321 1 15 . 1 1 6 6 ILE H H 6 7.790 7.790 8.593 -0.803 19581 1322 1 15 . 1 1 7 7 MET HA H 7 4.170 4.170 4.058 0.112 19581 1323 1 15 . 1 1 7 7 MET CA C 7 58.700 58.700 58.785 -0.085 19581 1324 1 15 . 1 1 7 7 MET CB C 7 32.500 32.500 31.900 0.600 19581 1325 1 15 . 1 1 7 7 MET H H 7 7.800 7.800 7.759 0.041 19581 1326 1 15 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.662 0.168 19581 1327 1 15 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.272 -0.172 19581 1328 1 15 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.507 0.893 19581 1329 1 15 . 1 1 8 8 ILE H H 8 8.190 8.190 7.823 0.367 19581 1330 1 15 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.674 -0.034 19581 1331 1 15 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.996 1.004 19581 1332 1 15 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.655 0.845 19581 1333 1 15 . 1 1 9 9 VAL H H 9 8.350 8.350 7.750 0.600 19581 1334 1 15 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.132 -0.232 19581 1335 1 15 . 1 1 10 10 GLY H H 10 8.370 8.370 8.523 -0.153 19581 1336 1 15 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.694 -0.394 19581 1337 1 15 . 1 1 11 11 GLY H H 11 7.800 7.800 7.985 -0.185 19581 1338 1 15 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.037 0.223 19581 1339 1 15 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.387 0.413 19581 1340 1 15 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.373 0.727 19581 1341 1 15 . 1 1 12 12 LEU H H 12 8.070 8.070 7.522 0.548 19581 1342 1 15 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.737 -0.037 19581 1343 1 15 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.175 0.525 19581 1344 1 15 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.420 0.480 19581 1345 1 15 . 1 1 13 13 VAL H H 13 8.450 8.450 7.764 0.686 19581 1346 1 15 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.133 -0.133 19581 1347 1 15 . 1 1 14 14 GLY H H 14 7.900 7.900 8.308 -0.408 19581 1348 1 15 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.051 0.069 19581 1349 1 15 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.462 0.238 19581 1350 1 15 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.304 0.696 19581 1351 1 15 . 1 1 15 15 LEU H H 15 7.800 7.800 7.620 0.180 19581 1352 1 15 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.103 0.007 19581 1353 1 15 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.559 -0.359 19581 1354 1 15 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.884 -0.484 19581 1355 1 15 . 1 1 16 16 ARG H H 16 7.750 7.750 7.807 -0.057 19581 1356 1 15 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.902 -0.032 19581 1357 1 15 . 1 1 17 17 ILE CA C 17 65.000 65.000 63.142 1.858 19581 1358 1 15 . 1 1 17 17 ILE CB C 17 37.900 37.900 36.755 1.145 19581 1359 1 15 . 1 1 17 17 ILE H H 17 7.910 7.910 7.331 0.579 19581 1360 1 15 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.647 -0.087 19581 1361 1 15 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.684 0.816 19581 1362 1 15 . 1 1 18 18 VAL CB C 18 31.600 31.600 30.969 0.631 19581 1363 1 15 . 1 1 18 18 VAL H H 18 8.030 8.030 8.263 -0.233 19581 1364 1 15 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.076 0.264 19581 1365 1 15 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.254 -0.254 19581 1366 1 15 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.470 -0.070 19581 1367 1 15 . 1 1 19 19 PHE H H 19 8.370 8.370 8.816 -0.446 19581 1368 1 15 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.798 0.352 19581 1369 1 15 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.215 0.685 19581 1370 1 15 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.022 -0.622 19581 1371 1 15 . 1 1 20 20 ALA H H 20 8.190 8.190 7.732 0.458 19581 1372 1 15 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.505 0.125 19581 1373 1 15 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.541 0.759 19581 1374 1 15 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.587 0.113 19581 1375 1 15 . 1 1 21 21 VAL H H 21 8.690 8.690 7.749 0.941 19581 1376 1 15 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.858 0.192 19581 1377 1 15 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.096 0.304 19581 1378 1 15 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.591 0.109 19581 1379 1 15 . 1 1 22 22 LEU H H 22 8.910 8.910 8.287 0.623 19581 1380 1 15 . 1 1 23 23 SER HA H 23 4.130 4.130 4.036 0.094 19581 1381 1 15 . 1 1 23 23 SER CA C 23 62.500 62.500 61.125 1.375 19581 1382 1 15 . 1 1 23 23 SER CB C 23 62.700 62.700 62.949 -0.249 19581 1383 1 15 . 1 1 23 23 SER H H 23 8.070 8.070 7.851 0.219 19581 1384 1 15 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.737 0.093 19581 1385 1 15 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.122 0.778 19581 1386 1 15 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.894 0.406 19581 1387 1 15 . 1 1 24 24 ILE H H 24 8.100 8.100 8.293 -0.193 19581 1388 1 15 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.057 0.063 19581 1389 1 15 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.633 -0.033 19581 1390 1 15 . 1 1 25 25 LYS CB C 25 32.000 32.000 31.991 0.009 19581 1391 1 15 . 1 1 25 25 LYS H H 25 8.540 8.540 7.895 0.645 19581 1392 1 15 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.143 0.057 19581 1393 1 15 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.351 0.449 19581 1394 1 15 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.913 -0.513 19581 1395 1 15 . 1 1 26 26 LYS H H 26 8.350 8.350 7.716 0.634 19581 1396 1 16 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.189 0.021 19581 1397 1 16 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.503 0.297 19581 1398 1 16 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.582 0.518 19581 1399 1 16 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.117 -0.027 19581 1400 1 16 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.101 -0.001 19581 1401 1 16 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.168 0.532 19581 1402 1 16 . 1 1 3 3 LYS H H 3 8.170 8.170 8.388 -0.218 19581 1403 1 16 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.102 0.188 19581 1404 1 16 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.633 -0.233 19581 1405 1 16 . 1 1 4 4 LEU CB C 4 42.300 42.300 40.903 1.397 19581 1406 1 16 . 1 1 4 4 LEU H H 4 7.210 7.210 7.944 -0.734 19581 1407 1 16 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.062 0.228 19581 1408 1 16 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.180 -0.880 19581 1409 1 16 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.103 -0.203 19581 1410 1 16 . 1 1 5 5 PHE H H 5 7.670 7.670 7.614 0.056 19581 1411 1 16 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.481 0.239 19581 1412 1 16 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.473 -1.073 19581 1413 1 16 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.786 0.214 19581 1414 1 16 . 1 1 6 6 ILE H H 6 7.790 7.790 8.538 -0.748 19581 1415 1 16 . 1 1 7 7 MET HA H 7 4.170 4.170 4.067 0.103 19581 1416 1 16 . 1 1 7 7 MET CA C 7 58.700 58.700 58.364 0.336 19581 1417 1 16 . 1 1 7 7 MET CB C 7 32.500 32.500 31.901 0.599 19581 1418 1 16 . 1 1 7 7 MET H H 7 7.800 7.800 7.829 -0.029 19581 1419 1 16 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.727 0.103 19581 1420 1 16 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.073 0.027 19581 1421 1 16 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.724 0.676 19581 1422 1 16 . 1 1 8 8 ILE H H 8 8.190 8.190 7.986 0.204 19581 1423 1 16 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.698 -0.058 19581 1424 1 16 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.021 1.979 19581 1425 1 16 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.055 1.444 19581 1426 1 16 . 1 1 9 9 VAL H H 9 8.350 8.350 8.043 0.307 19581 1427 1 16 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.354 -0.454 19581 1428 1 16 . 1 1 10 10 GLY H H 10 8.370 8.370 8.444 -0.074 19581 1429 1 16 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.473 -0.173 19581 1430 1 16 . 1 1 11 11 GLY H H 11 7.800 7.800 7.462 0.338 19581 1431 1 16 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.047 0.213 19581 1432 1 16 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.461 0.339 19581 1433 1 16 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.506 0.594 19581 1434 1 16 . 1 1 12 12 LEU H H 12 8.070 8.070 7.380 0.690 19581 1435 1 16 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.651 0.049 19581 1436 1 16 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.105 0.595 19581 1437 1 16 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.436 0.465 19581 1438 1 16 . 1 1 13 13 VAL H H 13 8.450 8.450 8.143 0.307 19581 1439 1 16 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.244 -0.244 19581 1440 1 16 . 1 1 14 14 GLY H H 14 7.900 7.900 8.294 -0.394 19581 1441 1 16 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.101 0.019 19581 1442 1 16 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.292 0.408 19581 1443 1 16 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.208 0.792 19581 1444 1 16 . 1 1 15 15 LEU H H 15 7.800 7.800 7.398 0.402 19581 1445 1 16 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.125 -0.015 19581 1446 1 16 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.315 -0.114 19581 1447 1 16 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.744 -0.344 19581 1448 1 16 . 1 1 16 16 ARG H H 16 7.750 7.750 7.886 -0.136 19581 1449 1 16 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.887 -0.017 19581 1450 1 16 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.001 -0.001 19581 1451 1 16 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.939 -0.039 19581 1452 1 16 . 1 1 17 17 ILE H H 17 7.910 7.910 7.623 0.287 19581 1453 1 16 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.633 -0.073 19581 1454 1 16 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.772 0.728 19581 1455 1 16 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.250 0.350 19581 1456 1 16 . 1 1 18 18 VAL H H 18 8.030 8.030 8.246 -0.216 19581 1457 1 16 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.064 0.276 19581 1458 1 16 . 1 1 19 19 PHE CA C 19 61.000 61.000 60.887 0.113 19581 1459 1 16 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.570 -0.170 19581 1460 1 16 . 1 1 19 19 PHE H H 19 8.370 8.370 8.623 -0.253 19581 1461 1 16 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.721 0.429 19581 1462 1 16 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.256 0.644 19581 1463 1 16 . 1 1 20 20 ALA CB C 20 17.400 17.400 17.904 -0.504 19581 1464 1 16 . 1 1 20 20 ALA H H 20 8.190 8.190 7.544 0.646 19581 1465 1 16 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.630 0.000 19581 1466 1 16 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.678 0.622 19581 1467 1 16 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.506 0.194 19581 1468 1 16 . 1 1 21 21 VAL H H 21 8.690 8.690 7.769 0.921 19581 1469 1 16 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.814 0.236 19581 1470 1 16 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.372 0.028 19581 1471 1 16 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.562 0.138 19581 1472 1 16 . 1 1 22 22 LEU H H 22 8.910 8.910 8.336 0.574 19581 1473 1 16 . 1 1 23 23 SER HA H 23 4.130 4.130 4.039 0.091 19581 1474 1 16 . 1 1 23 23 SER CA C 23 62.500 62.500 61.347 1.153 19581 1475 1 16 . 1 1 23 23 SER CB C 23 62.700 62.700 62.926 -0.226 19581 1476 1 16 . 1 1 23 23 SER H H 23 8.070 8.070 8.011 0.059 19581 1477 1 16 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.731 0.099 19581 1478 1 16 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.138 0.762 19581 1479 1 16 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.895 0.405 19581 1480 1 16 . 1 1 24 24 ILE H H 24 8.100 8.100 8.214 -0.114 19581 1481 1 16 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.039 0.081 19581 1482 1 16 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.710 -0.110 19581 1483 1 16 . 1 1 25 25 LYS CB C 25 32.000 32.000 31.958 0.042 19581 1484 1 16 . 1 1 25 25 LYS H H 25 8.540 8.540 8.063 0.477 19581 1485 1 16 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.190 0.010 19581 1486 1 16 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.222 0.578 19581 1487 1 16 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.346 -0.946 19581 1488 1 16 . 1 1 26 26 LYS H H 26 8.350 8.350 7.668 0.682 19581 1489 1 17 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.107 0.103 19581 1490 1 17 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.624 0.176 19581 1491 1 17 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.477 0.623 19581 1492 1 17 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.088 0.002 19581 1493 1 17 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.210 -0.110 19581 1494 1 17 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.104 0.596 19581 1495 1 17 . 1 1 3 3 LYS H H 3 8.170 8.170 8.124 0.046 19581 1496 1 17 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.001 0.289 19581 1497 1 17 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.824 -0.424 19581 1498 1 17 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.742 0.558 19581 1499 1 17 . 1 1 4 4 LEU H H 4 7.210 7.210 7.642 -0.432 19581 1500 1 17 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.049 0.241 19581 1501 1 17 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.170 -0.870 19581 1502 1 17 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.161 -0.261 19581 1503 1 17 . 1 1 5 5 PHE H H 5 7.670 7.670 7.584 0.086 19581 1504 1 17 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.575 0.145 19581 1505 1 17 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.528 -1.127 19581 1506 1 17 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.860 0.140 19581 1507 1 17 . 1 1 6 6 ILE H H 6 7.790 7.790 8.357 -0.567 19581 1508 1 17 . 1 1 7 7 MET HA H 7 4.170 4.170 4.009 0.161 19581 1509 1 17 . 1 1 7 7 MET CA C 7 58.700 58.700 59.387 -0.687 19581 1510 1 17 . 1 1 7 7 MET CB C 7 32.500 32.500 32.402 0.098 19581 1511 1 17 . 1 1 7 7 MET H H 7 7.800 7.800 7.775 0.025 19581 1512 1 17 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.728 0.102 19581 1513 1 17 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.756 0.344 19581 1514 1 17 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.698 0.702 19581 1515 1 17 . 1 1 8 8 ILE H H 8 8.190 8.190 7.674 0.516 19581 1516 1 17 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.787 -0.147 19581 1517 1 17 . 1 1 9 9 VAL CA C 9 67.000 67.000 64.993 2.007 19581 1518 1 17 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.092 1.408 19581 1519 1 17 . 1 1 9 9 VAL H H 9 8.350 8.350 7.827 0.523 19581 1520 1 17 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.354 -0.454 19581 1521 1 17 . 1 1 10 10 GLY H H 10 8.370 8.370 8.538 -0.168 19581 1522 1 17 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.473 -0.173 19581 1523 1 17 . 1 1 11 11 GLY H H 11 7.800 7.800 7.485 0.315 19581 1524 1 17 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.124 0.136 19581 1525 1 17 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.285 0.515 19581 1526 1 17 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.519 0.581 19581 1527 1 17 . 1 1 12 12 LEU H H 12 8.070 8.070 7.598 0.472 19581 1528 1 17 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.764 -0.064 19581 1529 1 17 . 1 1 13 13 VAL CA C 13 66.700 66.700 65.857 0.843 19581 1530 1 17 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.649 1.250 19581 1531 1 17 . 1 1 13 13 VAL H H 13 8.450 8.450 8.439 0.011 19581 1532 1 17 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.335 -0.335 19581 1533 1 17 . 1 1 14 14 GLY H H 14 7.900 7.900 8.037 -0.137 19581 1534 1 17 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.119 0.001 19581 1535 1 17 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.625 0.075 19581 1536 1 17 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.254 0.746 19581 1537 1 17 . 1 1 15 15 LEU H H 15 7.800 7.800 7.600 0.200 19581 1538 1 17 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.144 -0.034 19581 1539 1 17 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.171 0.029 19581 1540 1 17 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.420 -0.020 19581 1541 1 17 . 1 1 16 16 ARG H H 16 7.750 7.750 7.704 0.046 19581 1542 1 17 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.860 0.010 19581 1543 1 17 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.105 -0.105 19581 1544 1 17 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.742 0.158 19581 1545 1 17 . 1 1 17 17 ILE H H 17 7.910 7.910 7.403 0.507 19581 1546 1 17 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.597 -0.037 19581 1547 1 17 . 1 1 18 18 VAL CA C 18 67.500 67.500 67.077 0.423 19581 1548 1 17 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.269 0.331 19581 1549 1 17 . 1 1 18 18 VAL H H 18 8.030 8.030 8.342 -0.312 19581 1550 1 17 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.068 0.272 19581 1551 1 17 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.648 -0.648 19581 1552 1 17 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.489 -0.089 19581 1553 1 17 . 1 1 19 19 PHE H H 19 8.370 8.370 8.336 0.034 19581 1554 1 17 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.054 0.096 19581 1555 1 17 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.430 0.470 19581 1556 1 17 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.109 -0.709 19581 1557 1 17 . 1 1 20 20 ALA H H 20 8.190 8.190 8.067 0.123 19581 1558 1 17 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.555 0.075 19581 1559 1 17 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.712 0.588 19581 1560 1 17 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.668 0.032 19581 1561 1 17 . 1 1 21 21 VAL H H 21 8.690 8.690 8.109 0.581 19581 1562 1 17 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.839 0.211 19581 1563 1 17 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.143 0.257 19581 1564 1 17 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.648 0.052 19581 1565 1 17 . 1 1 22 22 LEU H H 22 8.910 8.910 8.387 0.523 19581 1566 1 17 . 1 1 23 23 SER HA H 23 4.130 4.130 4.234 -0.104 19581 1567 1 17 . 1 1 23 23 SER CA C 23 62.500 62.500 62.138 0.362 19581 1568 1 17 . 1 1 23 23 SER CB C 23 62.700 62.700 63.123 -0.423 19581 1569 1 17 . 1 1 23 23 SER H H 23 8.070 8.070 8.165 -0.095 19581 1570 1 17 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.817 0.013 19581 1571 1 17 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.958 0.943 19581 1572 1 17 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.964 0.336 19581 1573 1 17 . 1 1 24 24 ILE H H 24 8.100 8.100 8.362 -0.262 19581 1574 1 17 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.068 0.052 19581 1575 1 17 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.568 0.032 19581 1576 1 17 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.051 -0.051 19581 1577 1 17 . 1 1 25 25 LYS H H 25 8.540 8.540 8.066 0.474 19581 1578 1 17 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.218 -0.018 19581 1579 1 17 . 1 1 26 26 LYS CA C 26 57.800 57.800 56.818 0.982 19581 1580 1 17 . 1 1 26 26 LYS CB C 26 32.400 32.400 32.932 -0.532 19581 1581 1 17 . 1 1 26 26 LYS H H 26 8.350 8.350 7.676 0.674 19581 1582 1 18 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.101 0.109 19581 1583 1 18 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.791 0.009 19581 1584 1 18 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.302 0.798 19581 1585 1 18 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.121 -0.031 19581 1586 1 18 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.026 0.074 19581 1587 1 18 . 1 1 3 3 LYS CB C 3 32.700 32.700 32.121 0.579 19581 1588 1 18 . 1 1 3 3 LYS H H 3 8.170 8.170 8.171 -0.002 19581 1589 1 18 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.023 0.267 19581 1590 1 18 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.530 -0.130 19581 1591 1 18 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.738 0.562 19581 1592 1 18 . 1 1 4 4 LEU H H 4 7.210 7.210 7.761 -0.551 19581 1593 1 18 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.097 0.193 19581 1594 1 18 . 1 1 5 5 PHE CA C 5 61.300 61.300 61.824 -0.524 19581 1595 1 18 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.253 -0.353 19581 1596 1 18 . 1 1 5 5 PHE H H 5 7.670 7.670 7.472 0.198 19581 1597 1 18 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.406 0.314 19581 1598 1 18 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.455 -1.055 19581 1599 1 18 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.752 0.248 19581 1600 1 18 . 1 1 6 6 ILE H H 6 7.790 7.790 8.720 -0.930 19581 1601 1 18 . 1 1 7 7 MET HA H 7 4.170 4.170 4.034 0.136 19581 1602 1 18 . 1 1 7 7 MET CA C 7 58.700 58.700 58.896 -0.196 19581 1603 1 18 . 1 1 7 7 MET CB C 7 32.500 32.500 32.015 0.485 19581 1604 1 18 . 1 1 7 7 MET H H 7 7.800 7.800 7.614 0.186 19581 1605 1 18 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.688 0.142 19581 1606 1 18 . 1 1 8 8 ILE CA C 8 65.100 65.100 65.215 -0.115 19581 1607 1 18 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.551 0.849 19581 1608 1 18 . 1 1 8 8 ILE H H 8 8.190 8.190 7.828 0.362 19581 1609 1 18 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.669 -0.029 19581 1610 1 18 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.477 1.523 19581 1611 1 18 . 1 1 9 9 VAL CB C 9 31.500 31.500 29.992 1.508 19581 1612 1 18 . 1 1 9 9 VAL H H 9 8.350 8.350 8.020 0.330 19581 1613 1 18 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.403 -0.503 19581 1614 1 18 . 1 1 10 10 GLY H H 10 8.370 8.370 8.404 -0.034 19581 1615 1 18 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.843 -0.543 19581 1616 1 18 . 1 1 11 11 GLY H H 11 7.800 7.800 7.990 -0.190 19581 1617 1 18 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.008 0.252 19581 1618 1 18 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.363 0.437 19581 1619 1 18 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.410 0.689 19581 1620 1 18 . 1 1 12 12 LEU H H 12 8.070 8.070 7.437 0.633 19581 1621 1 18 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.617 0.083 19581 1622 1 18 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.118 0.582 19581 1623 1 18 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.567 0.333 19581 1624 1 18 . 1 1 13 13 VAL H H 13 8.450 8.450 7.811 0.639 19581 1625 1 18 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.102 -0.102 19581 1626 1 18 . 1 1 14 14 GLY H H 14 7.900 7.900 8.508 -0.608 19581 1627 1 18 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.036 0.084 19581 1628 1 18 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.639 0.061 19581 1629 1 18 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.368 0.632 19581 1630 1 18 . 1 1 15 15 LEU H H 15 7.800 7.800 7.938 -0.138 19581 1631 1 18 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.115 -0.005 19581 1632 1 18 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.393 -0.193 19581 1633 1 18 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.919 -0.519 19581 1634 1 18 . 1 1 16 16 ARG H H 16 7.750 7.750 7.813 -0.063 19581 1635 1 18 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.901 -0.031 19581 1636 1 18 . 1 1 17 17 ILE CA C 17 65.000 65.000 62.957 2.043 19581 1637 1 18 . 1 1 17 17 ILE CB C 17 37.900 37.900 36.913 0.987 19581 1638 1 18 . 1 1 17 17 ILE H H 17 7.910 7.910 7.501 0.409 19581 1639 1 18 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.651 -0.091 19581 1640 1 18 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.983 0.517 19581 1641 1 18 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.310 0.290 19581 1642 1 18 . 1 1 18 18 VAL H H 18 8.030 8.030 8.161 -0.131 19581 1643 1 18 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.093 0.247 19581 1644 1 18 . 1 1 19 19 PHE CA C 19 61.000 61.000 60.885 0.115 19581 1645 1 18 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.553 -0.152 19581 1646 1 18 . 1 1 19 19 PHE H H 19 8.370 8.370 8.846 -0.476 19581 1647 1 18 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.765 0.385 19581 1648 1 18 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.235 0.665 19581 1649 1 18 . 1 1 20 20 ALA CB C 20 17.400 17.400 17.989 -0.590 19581 1650 1 18 . 1 1 20 20 ALA H H 20 8.190 8.190 7.661 0.529 19581 1651 1 18 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.646 -0.016 19581 1652 1 18 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.406 0.894 19581 1653 1 18 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.043 0.657 19581 1654 1 18 . 1 1 21 21 VAL H H 21 8.690 8.690 7.662 1.028 19581 1655 1 18 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.864 0.186 19581 1656 1 18 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.346 0.054 19581 1657 1 18 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.587 0.112 19581 1658 1 18 . 1 1 22 22 LEU H H 22 8.910 8.910 8.490 0.420 19581 1659 1 18 . 1 1 23 23 SER HA H 23 4.130 4.130 4.056 0.074 19581 1660 1 18 . 1 1 23 23 SER CA C 23 62.500 62.500 61.176 1.323 19581 1661 1 18 . 1 1 23 23 SER CB C 23 62.700 62.700 62.889 -0.189 19581 1662 1 18 . 1 1 23 23 SER H H 23 8.070 8.070 8.015 0.055 19581 1663 1 18 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.732 0.098 19581 1664 1 18 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.172 0.728 19581 1665 1 18 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.921 0.379 19581 1666 1 18 . 1 1 24 24 ILE H H 24 8.100 8.100 8.204 -0.104 19581 1667 1 18 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.036 0.084 19581 1668 1 18 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.971 -0.371 19581 1669 1 18 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.031 -0.031 19581 1670 1 18 . 1 1 25 25 LYS H H 25 8.540 8.540 8.092 0.448 19581 1671 1 18 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.192 0.008 19581 1672 1 18 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.082 0.718 19581 1673 1 18 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.272 -0.871 19581 1674 1 18 . 1 1 26 26 LYS H H 26 8.350 8.350 7.762 0.588 19581 1675 1 19 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.063 0.147 19581 1676 1 19 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.470 0.330 19581 1677 1 19 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.060 1.040 19581 1678 1 19 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.100 -0.010 19581 1679 1 19 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.910 0.190 19581 1680 1 19 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.982 0.718 19581 1681 1 19 . 1 1 3 3 LYS H H 3 8.170 8.170 8.145 0.025 19581 1682 1 19 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.009 0.281 19581 1683 1 19 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.601 -0.201 19581 1684 1 19 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.646 0.654 19581 1685 1 19 . 1 1 4 4 LEU H H 4 7.210 7.210 7.753 -0.543 19581 1686 1 19 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.086 0.204 19581 1687 1 19 . 1 1 5 5 PHE CA C 5 61.300 61.300 61.959 -0.659 19581 1688 1 19 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.219 -0.319 19581 1689 1 19 . 1 1 5 5 PHE H H 5 7.670 7.670 7.473 0.197 19581 1690 1 19 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.436 0.284 19581 1691 1 19 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.525 -1.125 19581 1692 1 19 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.790 0.210 19581 1693 1 19 . 1 1 6 6 ILE H H 6 7.790 7.790 8.458 -0.668 19581 1694 1 19 . 1 1 7 7 MET HA H 7 4.170 4.170 4.040 0.130 19581 1695 1 19 . 1 1 7 7 MET CA C 7 58.700 58.700 58.635 0.065 19581 1696 1 19 . 1 1 7 7 MET CB C 7 32.500 32.500 32.087 0.413 19581 1697 1 19 . 1 1 7 7 MET H H 7 7.800 7.800 7.896 -0.096 19581 1698 1 19 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.787 0.043 19581 1699 1 19 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.785 0.314 19581 1700 1 19 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.971 0.429 19581 1701 1 19 . 1 1 8 8 ILE H H 8 8.190 8.190 7.789 0.401 19581 1702 1 19 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.717 -0.077 19581 1703 1 19 . 1 1 9 9 VAL CA C 9 67.000 67.000 64.983 2.017 19581 1704 1 19 . 1 1 9 9 VAL CB C 9 31.500 31.500 29.929 1.571 19581 1705 1 19 . 1 1 9 9 VAL H H 9 8.350 8.350 8.199 0.151 19581 1706 1 19 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.218 -0.318 19581 1707 1 19 . 1 1 10 10 GLY H H 10 8.370 8.370 8.525 -0.155 19581 1708 1 19 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.529 -0.229 19581 1709 1 19 . 1 1 11 11 GLY H H 11 7.800 7.800 7.469 0.331 19581 1710 1 19 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.077 0.183 19581 1711 1 19 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.345 0.455 19581 1712 1 19 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.573 0.527 19581 1713 1 19 . 1 1 12 12 LEU H H 12 8.070 8.070 7.537 0.533 19581 1714 1 19 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.641 0.059 19581 1715 1 19 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.142 0.558 19581 1716 1 19 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.466 0.434 19581 1717 1 19 . 1 1 13 13 VAL H H 13 8.450 8.450 8.376 0.074 19581 1718 1 19 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.094 -0.094 19581 1719 1 19 . 1 1 14 14 GLY H H 14 7.900 7.900 7.826 0.074 19581 1720 1 19 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.016 0.104 19581 1721 1 19 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.883 -0.183 19581 1722 1 19 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.251 0.749 19581 1723 1 19 . 1 1 15 15 LEU H H 15 7.800 7.800 7.895 -0.095 19581 1724 1 19 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.073 0.037 19581 1725 1 19 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.622 -0.422 19581 1726 1 19 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.885 -0.485 19581 1727 1 19 . 1 1 16 16 ARG H H 16 7.750 7.750 7.867 -0.117 19581 1728 1 19 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.778 0.092 19581 1729 1 19 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.874 0.127 19581 1730 1 19 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.932 -0.032 19581 1731 1 19 . 1 1 17 17 ILE H H 17 7.910 7.910 7.515 0.395 19581 1732 1 19 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.607 -0.047 19581 1733 1 19 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.845 0.655 19581 1734 1 19 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.209 0.391 19581 1735 1 19 . 1 1 18 18 VAL H H 18 8.030 8.030 8.170 -0.140 19581 1736 1 19 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.054 0.286 19581 1737 1 19 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.728 -0.728 19581 1738 1 19 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.447 -0.047 19581 1739 1 19 . 1 1 19 19 PHE H H 19 8.370 8.370 8.685 -0.315 19581 1740 1 19 . 1 1 20 20 ALA HA H 20 4.150 4.150 4.044 0.106 19581 1741 1 19 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.460 0.440 19581 1742 1 19 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.061 -0.661 19581 1743 1 19 . 1 1 20 20 ALA H H 20 8.190 8.190 7.764 0.426 19581 1744 1 19 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.563 0.067 19581 1745 1 19 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.592 0.708 19581 1746 1 19 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.673 0.027 19581 1747 1 19 . 1 1 21 21 VAL H H 21 8.690 8.690 7.589 1.101 19581 1748 1 19 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.857 0.193 19581 1749 1 19 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.106 0.294 19581 1750 1 19 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.420 0.279 19581 1751 1 19 . 1 1 22 22 LEU H H 22 8.910 8.910 8.491 0.419 19581 1752 1 19 . 1 1 23 23 SER HA H 23 4.130 4.130 4.236 -0.106 19581 1753 1 19 . 1 1 23 23 SER CA C 23 62.500 62.500 61.350 1.149 19581 1754 1 19 . 1 1 23 23 SER CB C 23 62.700 62.700 63.307 -0.607 19581 1755 1 19 . 1 1 23 23 SER H H 23 8.070 8.070 8.196 -0.126 19581 1756 1 19 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.818 0.012 19581 1757 1 19 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.098 0.802 19581 1758 1 19 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.963 0.337 19581 1759 1 19 . 1 1 24 24 ILE H H 24 8.100 8.100 8.374 -0.274 19581 1760 1 19 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.054 0.066 19581 1761 1 19 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.843 -0.243 19581 1762 1 19 . 1 1 25 25 LYS CB C 25 32.000 32.000 31.982 0.018 19581 1763 1 19 . 1 1 25 25 LYS H H 25 8.540 8.540 8.116 0.424 19581 1764 1 19 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.207 -0.007 19581 1765 1 19 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.112 0.688 19581 1766 1 19 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.213 -0.813 19581 1767 1 19 . 1 1 26 26 LYS H H 26 8.350 8.350 7.759 0.591 19581 1768 1 20 . 1 1 2 2 LYS HA H 2 4.210 4.210 4.065 0.145 19581 1769 1 20 . 1 1 2 2 LYS CA C 2 58.800 58.800 59.116 -0.316 19581 1770 1 20 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.118 0.982 19581 1771 1 20 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.090 -0.000 19581 1772 1 20 . 1 1 3 3 LYS CA C 3 59.100 59.100 58.897 0.203 19581 1773 1 20 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.794 0.906 19581 1774 1 20 . 1 1 3 3 LYS H H 3 8.170 8.170 8.236 -0.066 19581 1775 1 20 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.130 0.160 19581 1776 1 20 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.362 0.038 19581 1777 1 20 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.017 1.283 19581 1778 1 20 . 1 1 4 4 LEU H H 4 7.210 7.210 7.818 -0.608 19581 1779 1 20 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.070 0.220 19581 1780 1 20 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.281 -0.981 19581 1781 1 20 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.150 -0.250 19581 1782 1 20 . 1 1 5 5 PHE H H 5 7.670 7.670 7.444 0.226 19581 1783 1 20 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.608 0.112 19581 1784 1 20 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.472 -1.072 19581 1785 1 20 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.844 0.156 19581 1786 1 20 . 1 1 6 6 ILE H H 6 7.790 7.790 8.449 -0.659 19581 1787 1 20 . 1 1 7 7 MET HA H 7 4.170 4.170 4.099 0.071 19581 1788 1 20 . 1 1 7 7 MET CA C 7 58.700 58.700 58.047 0.653 19581 1789 1 20 . 1 1 7 7 MET CB C 7 32.500 32.500 31.778 0.722 19581 1790 1 20 . 1 1 7 7 MET H H 7 7.800 7.800 7.478 0.322 19581 1791 1 20 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.745 0.085 19581 1792 1 20 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.862 0.238 19581 1793 1 20 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.723 0.677 19581 1794 1 20 . 1 1 8 8 ILE H H 8 8.190 8.190 7.675 0.515 19581 1795 1 20 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.773 -0.133 19581 1796 1 20 . 1 1 9 9 VAL CA C 9 67.000 67.000 64.823 2.177 19581 1797 1 20 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.024 1.476 19581 1798 1 20 . 1 1 9 9 VAL H H 9 8.350 8.350 7.818 0.532 19581 1799 1 20 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.419 -0.519 19581 1800 1 20 . 1 1 10 10 GLY H H 10 8.370 8.370 8.424 -0.054 19581 1801 1 20 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.303 -0.003 19581 1802 1 20 . 1 1 11 11 GLY H H 11 7.800 7.800 7.425 0.375 19581 1803 1 20 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.152 0.108 19581 1804 1 20 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.350 0.450 19581 1805 1 20 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.547 0.553 19581 1806 1 20 . 1 1 12 12 LEU H H 12 8.070 8.070 7.688 0.382 19581 1807 1 20 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.786 -0.086 19581 1808 1 20 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.092 0.608 19581 1809 1 20 . 1 1 13 13 VAL CB C 13 31.900 31.900 30.685 1.215 19581 1810 1 20 . 1 1 13 13 VAL H H 13 8.450 8.450 8.579 -0.129 19581 1811 1 20 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.096 -0.096 19581 1812 1 20 . 1 1 14 14 GLY H H 14 7.900 7.900 7.733 0.167 19581 1813 1 20 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.066 0.054 19581 1814 1 20 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.637 0.063 19581 1815 1 20 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.384 0.616 19581 1816 1 20 . 1 1 15 15 LEU H H 15 7.800 7.800 7.498 0.302 19581 1817 1 20 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.091 0.019 19581 1818 1 20 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.666 -0.466 19581 1819 1 20 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.033 -0.633 19581 1820 1 20 . 1 1 16 16 ARG H H 16 7.750 7.750 7.679 0.071 19581 1821 1 20 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.770 0.100 19581 1822 1 20 . 1 1 17 17 ILE CA C 17 65.000 65.000 65.068 -0.068 19581 1823 1 20 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.769 0.131 19581 1824 1 20 . 1 1 17 17 ILE H H 17 7.910 7.910 7.326 0.584 19581 1825 1 20 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.641 -0.081 19581 1826 1 20 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.986 0.514 19581 1827 1 20 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.389 0.211 19581 1828 1 20 . 1 1 18 18 VAL H H 18 8.030 8.030 8.388 -0.358 19581 1829 1 20 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.071 0.269 19581 1830 1 20 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.430 -0.430 19581 1831 1 20 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.723 -0.323 19581 1832 1 20 . 1 1 19 19 PHE H H 19 8.370 8.370 8.725 -0.355 19581 1833 1 20 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.821 0.329 19581 1834 1 20 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.253 0.647 19581 1835 1 20 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.039 -0.639 19581 1836 1 20 . 1 1 20 20 ALA H H 20 8.190 8.190 8.037 0.153 19581 1837 1 20 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.533 0.097 19581 1838 1 20 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.501 0.799 19581 1839 1 20 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.645 0.055 19581 1840 1 20 . 1 1 21 21 VAL H H 21 8.690 8.690 7.949 0.741 19581 1841 1 20 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.841 0.209 19581 1842 1 20 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.084 0.316 19581 1843 1 20 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.695 0.005 19581 1844 1 20 . 1 1 22 22 LEU H H 22 8.910 8.910 8.204 0.706 19581 1845 1 20 . 1 1 23 23 SER HA H 23 4.130 4.130 4.000 0.130 19581 1846 1 20 . 1 1 23 23 SER CA C 23 62.500 62.500 61.907 0.593 19581 1847 1 20 . 1 1 23 23 SER CB C 23 62.700 62.700 62.776 -0.076 19581 1848 1 20 . 1 1 23 23 SER H H 23 8.070 8.070 7.970 0.100 19581 1849 1 20 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.746 0.084 19581 1850 1 20 . 1 1 24 24 ILE CA C 24 64.900 64.900 63.841 1.059 19581 1851 1 20 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.896 0.404 19581 1852 1 20 . 1 1 24 24 ILE H H 24 8.100 8.100 8.302 -0.202 19581 1853 1 20 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.008 0.112 19581 1854 1 20 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.928 -0.328 19581 1855 1 20 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.125 -0.125 19581 1856 1 20 . 1 1 25 25 LYS H H 25 8.540 8.540 7.836 0.704 19581 1857 1 20 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.120 0.080 19581 1858 1 20 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.839 -0.039 19581 1859 1 20 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.210 -0.810 19581 1860 1 20 . 1 1 26 26 LYS H H 26 8.350 8.350 7.786 0.564 19581 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 19581 2 1 1 "Average Difference" HA 28 0.181 -0.141 0.116 19581 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19581 4 1 1 "Average Difference" CA 25 0.701 -0.155 0.698 19581 5 1 1 "Average Difference" CB 22 0.585 -0.257 0.539 19581 6 1 1 "Average Difference" HN 24 0.438 -0.110 0.433 19581 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19581 8 1 2 "Average Difference" HA 28 0.156 -0.107 0.116 19581 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19581 10 1 2 "Average Difference" CA 25 0.573 -0.060 0.581 19581 11 1 2 "Average Difference" CB 22 0.616 -0.281 0.560 19581 12 1 2 "Average Difference" HN 24 0.451 -0.131 0.441 19581 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19581 14 1 3 "Average Difference" HA 28 0.174 -0.134 0.113 19581 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19581 16 1 3 "Average Difference" CA 25 0.623 -0.162 0.614 19581 17 1 3 "Average Difference" CB 22 0.541 -0.253 0.490 19581 18 1 3 "Average Difference" HN 24 0.455 -0.140 0.442 19581 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19581 20 1 4 "Average Difference" HA 28 0.186 -0.147 0.116 19581 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19581 22 1 4 "Average Difference" CA 25 0.678 -0.099 0.684 19581 23 1 4 "Average Difference" CB 22 0.524 -0.223 0.485 19581 24 1 4 "Average Difference" HN 24 0.426 -0.130 0.415 19581 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19581 26 1 5 "Average Difference" HA 28 0.199 -0.160 0.120 19581 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19581 28 1 5 "Average Difference" CA 25 0.658 -0.061 0.669 19581 29 1 5 "Average Difference" CB 22 0.546 -0.208 0.516 19581 30 1 5 "Average Difference" HN 24 0.470 -0.105 0.468 19581 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19581 32 1 6 "Average Difference" HA 28 0.167 -0.121 0.117 19581 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19581 34 1 6 "Average Difference" CA 25 0.645 -0.124 0.646 19581 35 1 6 "Average Difference" CB 22 0.632 -0.291 0.574 19581 36 1 6 "Average Difference" HN 24 0.494 -0.175 0.472 19581 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19581 38 1 7 "Average Difference" HA 28 0.161 -0.114 0.115 19581 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19581 40 1 7 "Average Difference" CA 25 0.643 -0.104 0.647 19581 41 1 7 "Average Difference" CB 22 0.687 -0.259 0.651 19581 42 1 7 "Average Difference" HN 24 0.426 -0.160 0.403 19581 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19581 44 1 8 "Average Difference" HA 28 0.157 -0.110 0.114 19581 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19581 46 1 8 "Average Difference" CA 25 0.697 -0.174 0.689 19581 47 1 8 "Average Difference" CB 22 0.585 -0.267 0.532 19581 48 1 8 "Average Difference" HN 24 0.442 -0.126 0.433 19581 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19581 50 1 9 "Average Difference" HA 28 0.157 -0.103 0.121 19581 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19581 52 1 9 "Average Difference" CA 25 0.624 -0.172 0.612 19581 53 1 9 "Average Difference" CB 22 0.602 -0.255 0.558 19581 54 1 9 "Average Difference" HN 24 0.418 -0.122 0.409 19581 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19581 56 1 10 "Average Difference" HA 28 0.155 -0.115 0.106 19581 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19581 58 1 10 "Average Difference" CA 25 0.702 -0.171 0.695 19581 59 1 10 "Average Difference" CB 22 0.626 -0.311 0.556 19581 60 1 10 "Average Difference" HN 24 0.478 -0.124 0.471 19581 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19581 62 1 11 "Average Difference" HA 28 0.166 -0.109 0.127 19581 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19581 64 1 11 "Average Difference" CA 25 0.692 -0.149 0.690 19581 65 1 11 "Average Difference" CB 22 0.654 -0.277 0.606 19581 66 1 11 "Average Difference" HN 24 0.456 -0.129 0.447 19581 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19581 68 1 12 "Average Difference" HA 28 0.182 -0.148 0.108 19581 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19581 70 1 12 "Average Difference" CA 25 0.669 -0.218 0.646 19581 71 1 12 "Average Difference" CB 22 0.573 -0.200 0.550 19581 72 1 12 "Average Difference" HN 24 0.474 -0.169 0.452 19581 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19581 74 1 13 "Average Difference" HA 28 0.205 -0.165 0.124 19581 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19581 76 1 13 "Average Difference" CA 25 0.609 -0.129 0.607 19581 77 1 13 "Average Difference" CB 22 0.558 -0.240 0.515 19581 78 1 13 "Average Difference" HN 24 0.431 -0.189 0.396 19581 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19581 80 1 14 "Average Difference" HA 28 0.184 -0.147 0.113 19581 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19581 82 1 14 "Average Difference" CA 25 0.634 -0.146 0.629 19581 83 1 14 "Average Difference" CB 22 0.621 -0.260 0.577 19581 84 1 14 "Average Difference" HN 24 0.503 -0.133 0.496 19581 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19581 86 1 15 "Average Difference" HA 28 0.175 -0.133 0.115 19581 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19581 88 1 15 "Average Difference" CA 25 0.706 -0.190 0.694 19581 89 1 15 "Average Difference" CB 22 0.567 -0.283 0.503 19581 90 1 15 "Average Difference" HN 24 0.489 -0.126 0.483 19581 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19581 92 1 16 "Average Difference" HA 28 0.175 -0.125 0.124 19581 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19581 94 1 16 "Average Difference" CA 25 0.652 -0.213 0.629 19581 95 1 16 "Average Difference" CB 22 0.617 -0.269 0.569 19581 96 1 16 "Average Difference" HN 24 0.448 -0.126 0.439 19581 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19581 98 1 17 "Average Difference" HA 28 0.159 -0.101 0.125 19581 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19581 100 1 17 "Average Difference" CA 25 0.676 -0.124 0.678 19581 101 1 17 "Average Difference" CB 22 0.577 -0.251 0.531 19581 102 1 17 "Average Difference" HN 24 0.366 -0.133 0.348 19581 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19581 104 1 18 "Average Difference" HA 28 0.194 -0.145 0.131 19581 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19581 106 1 18 "Average Difference" CA 25 0.736 -0.240 0.710 19581 107 1 18 "Average Difference" CB 22 0.631 -0.291 0.574 19581 108 1 18 "Average Difference" HN 24 0.466 -0.108 0.463 19581 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19581 110 1 19 "Average Difference" HA 28 0.161 -0.118 0.112 19581 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19581 112 1 19 "Average Difference" CA 25 0.669 -0.184 0.657 19581 113 1 19 "Average Difference" CB 22 0.606 -0.220 0.578 19581 114 1 19 "Average Difference" HN 24 0.402 -0.109 0.396 19581 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19581 116 1 20 "Average Difference" HA 28 0.158 -0.115 0.109 19581 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19581 118 1 20 "Average Difference" CA 25 0.685 -0.162 0.680 19581 119 1 20 "Average Difference" CB 22 0.696 -0.297 0.644 19581 120 1 20 "Average Difference" HN 24 0.432 -0.167 0.407 19581 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 19581 _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 LYS HA H 2 4.210 4.210 4.092 0.118 19581 2 1 . 1 1 2 2 LYS CA C 2 58.800 58.800 58.832 -0.032 19581 3 1 . 1 1 2 2 LYS CB C 2 33.100 33.100 32.279 0.821 19581 4 1 . 1 1 3 3 LYS HA H 3 4.090 4.090 4.097 -0.007 19581 5 1 . 1 1 3 3 LYS CA C 3 59.100 59.100 59.100 0.000 19581 6 1 . 1 1 3 3 LYS CB C 3 32.700 32.700 31.975 0.725 19581 7 1 . 1 1 3 3 LYS H H 3 8.170 8.170 8.287 -0.117 19581 8 1 . 1 1 4 4 LEU HA H 4 4.290 4.290 4.071 0.219 19581 9 1 . 1 1 4 4 LEU CA C 4 57.400 57.400 57.588 -0.188 19581 10 1 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.363 0.937 19581 11 1 . 1 1 4 4 LEU H H 4 7.210 7.210 7.741 -0.531 19581 12 1 . 1 1 5 5 PHE HA H 5 4.290 4.290 4.065 0.225 19581 13 1 . 1 1 5 5 PHE CA C 5 61.300 61.300 62.161 -0.861 19581 14 1 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.180 -0.279 19581 15 1 . 1 1 5 5 PHE H H 5 7.670 7.670 7.749 -0.079 19581 16 1 . 1 1 6 6 ILE HA H 6 3.720 3.720 3.489 0.231 19581 17 1 . 1 1 6 6 ILE CA C 6 64.400 64.400 65.511 -1.111 19581 18 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 37.801 0.199 19581 19 1 . 1 1 6 6 ILE H H 6 7.790 7.790 8.555 -0.765 19581 20 1 . 1 1 7 7 MET HA H 7 4.170 4.170 4.043 0.127 19581 21 1 . 1 1 7 7 MET CA C 7 58.700 58.700 58.842 -0.142 19581 22 1 . 1 1 7 7 MET CB C 7 32.500 32.500 32.106 0.394 19581 23 1 . 1 1 7 7 MET H H 7 7.800 7.800 7.716 0.084 19581 24 1 . 1 1 8 8 ILE HA H 8 3.830 3.830 3.708 0.122 19581 25 1 . 1 1 8 8 ILE CA C 8 65.100 65.100 64.987 0.113 19581 26 1 . 1 1 8 8 ILE CB C 8 38.400 38.400 37.715 0.685 19581 27 1 . 1 1 8 8 ILE H H 8 8.190 8.190 7.767 0.423 19581 28 1 . 1 1 9 9 VAL HA H 9 3.640 3.640 3.694 -0.054 19581 29 1 . 1 1 9 9 VAL CA C 9 67.000 67.000 65.360 1.640 19581 30 1 . 1 1 9 9 VAL CB C 9 31.500 31.500 30.356 1.144 19581 31 1 . 1 1 9 9 VAL H H 9 8.350 8.350 7.910 0.440 19581 32 1 . 1 1 10 10 GLY CA C 10 46.900 46.900 47.306 -0.406 19581 33 1 . 1 1 10 10 GLY H H 10 8.370 8.370 8.435 -0.065 19581 34 1 . 1 1 11 11 GLY CA C 11 46.300 46.300 46.571 -0.271 19581 35 1 . 1 1 11 11 GLY H H 11 7.800 7.800 7.568 0.233 19581 36 1 . 1 1 12 12 LEU HA H 12 4.260 4.260 4.062 0.198 19581 37 1 . 1 1 12 12 LEU CA C 12 57.800 57.800 57.422 0.379 19581 38 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.483 0.617 19581 39 1 . 1 1 12 12 LEU H H 12 8.070 8.070 7.440 0.630 19581 40 1 . 1 1 13 13 VAL HA H 13 3.700 3.700 3.698 0.002 19581 41 1 . 1 1 13 13 VAL CA C 13 66.700 66.700 66.158 0.542 19581 42 1 . 1 1 13 13 VAL CB C 13 31.900 31.900 31.187 0.713 19581 43 1 . 1 1 13 13 VAL H H 13 8.450 8.450 8.180 0.270 19581 44 1 . 1 1 14 14 GLY CA C 14 47.000 47.000 47.192 -0.192 19581 45 1 . 1 1 14 14 GLY H H 14 7.900 7.900 8.097 -0.197 19581 46 1 . 1 1 15 15 LEU HA H 15 4.120 4.120 4.066 0.054 19581 47 1 . 1 1 15 15 LEU CA C 15 57.700 57.700 57.526 0.174 19581 48 1 . 1 1 15 15 LEU CB C 15 42.000 42.000 41.274 0.726 19581 49 1 . 1 1 15 15 LEU H H 15 7.800 7.800 7.834 -0.034 19581 50 1 . 1 1 16 16 ARG HA H 16 4.110 4.110 4.109 0.001 19581 51 1 . 1 1 16 16 ARG CA C 16 59.200 59.200 59.406 -0.206 19581 52 1 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.764 -0.364 19581 53 1 . 1 1 16 16 ARG H H 16 7.750 7.750 7.759 -0.009 19581 54 1 . 1 1 17 17 ILE HA H 17 3.870 3.870 3.815 0.055 19581 55 1 . 1 1 17 17 ILE CA C 17 65.000 65.000 64.750 0.250 19581 56 1 . 1 1 17 17 ILE CB C 17 37.900 37.900 37.767 0.133 19581 57 1 . 1 1 17 17 ILE H H 17 7.910 7.910 7.472 0.438 19581 58 1 . 1 1 18 18 VAL HA H 18 3.560 3.560 3.605 -0.045 19581 59 1 . 1 1 18 18 VAL CA C 18 67.500 67.500 66.769 0.731 19581 60 1 . 1 1 18 18 VAL CB C 18 31.600 31.600 31.263 0.337 19581 61 1 . 1 1 18 18 VAL H H 18 8.030 8.030 8.168 -0.138 19581 62 1 . 1 1 19 19 PHE HA H 19 4.340 4.340 4.066 0.274 19581 63 1 . 1 1 19 19 PHE CA C 19 61.000 61.000 61.490 -0.490 19581 64 1 . 1 1 19 19 PHE CB C 19 38.400 38.400 38.555 -0.155 19581 65 1 . 1 1 19 19 PHE H H 19 8.370 8.370 8.656 -0.286 19581 66 1 . 1 1 20 20 ALA HA H 20 4.150 4.150 3.897 0.253 19581 67 1 . 1 1 20 20 ALA CA C 20 55.900 55.900 55.293 0.607 19581 68 1 . 1 1 20 20 ALA CB C 20 17.400 17.400 18.054 -0.654 19581 69 1 . 1 1 20 20 ALA H H 20 8.190 8.190 7.817 0.373 19581 70 1 . 1 1 21 21 VAL HA H 21 3.630 3.630 3.611 0.019 19581 71 1 . 1 1 21 21 VAL CA C 21 67.300 67.300 66.573 0.727 19581 72 1 . 1 1 21 21 VAL CB C 21 31.700 31.700 31.403 0.297 19581 73 1 . 1 1 21 21 VAL H H 21 8.690 8.690 7.823 0.867 19581 74 1 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.834 0.216 19581 75 1 . 1 1 22 22 LEU CA C 22 58.400 58.400 58.276 0.124 19581 76 1 . 1 1 22 22 LEU CB C 22 41.700 41.700 41.493 0.206 19581 77 1 . 1 1 22 22 LEU H H 22 8.910 8.910 8.406 0.504 19581 78 1 . 1 1 23 23 SER HA H 23 4.130 4.130 4.070 0.060 19581 79 1 . 1 1 23 23 SER CA C 23 62.500 62.500 61.538 0.962 19581 80 1 . 1 1 23 23 SER CB C 23 62.700 62.700 63.022 -0.322 19581 81 1 . 1 1 23 23 SER H H 23 8.070 8.070 8.028 0.042 19581 82 1 . 1 1 24 24 ILE HA H 24 3.830 3.830 3.780 0.050 19581 83 1 . 1 1 24 24 ILE CA C 24 64.900 64.900 64.026 0.874 19581 84 1 . 1 1 24 24 ILE CB C 24 38.300 38.300 37.971 0.329 19581 85 1 . 1 1 24 24 ILE H H 24 8.100 8.100 8.159 -0.059 19581 86 1 . 1 1 25 25 LYS HA H 25 4.120 4.120 4.046 0.074 19581 87 1 . 1 1 25 25 LYS CA C 25 58.600 58.600 58.694 -0.094 19581 88 1 . 1 1 25 25 LYS CB C 25 32.000 32.000 32.137 -0.137 19581 89 1 . 1 1 25 25 LYS H H 25 8.540 8.540 7.975 0.565 19581 90 1 . 1 1 26 26 LYS HA H 26 4.200 4.200 4.180 0.020 19581 91 1 . 1 1 26 26 LYS CA C 26 57.800 57.800 57.132 0.668 19581 92 1 . 1 1 26 26 LYS CB C 26 32.400 32.400 33.038 -0.638 19581 93 1 . 1 1 26 26 LYS H H 26 8.350 8.350 7.684 0.666 19581 stop_ save_