data_25363 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25363 _Entry.PDB_ID 2MWT 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 25363 _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 ARG HA H 2 4.320 4.320 4.322 -0.002 25363 2 1 1 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.011 -0.411 25363 3 1 1 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.220 0.080 25363 4 1 1 . 1 1 2 2 ARG H H 2 8.960 8.960 8.623 0.337 25363 5 1 1 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.662 -0.162 25363 6 1 1 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.735 -0.235 25363 7 1 1 . 1 1 3 3 PHE H H 3 8.640 8.640 8.070 0.570 25363 8 1 1 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.678 0.302 25363 9 1 1 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.630 -0.030 25363 10 1 1 . 1 1 4 4 LYS H H 4 8.270 8.270 7.750 0.520 25363 11 1 1 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.094 -0.044 25363 12 1 1 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.865 -0.065 25363 13 1 1 . 1 1 5 5 LYS H H 5 8.230 8.230 7.519 0.711 25363 14 1 1 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.272 0.078 25363 15 1 1 . 1 1 6 6 PHE H H 6 8.040 8.040 7.852 0.188 25363 16 1 1 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.742 0.388 25363 17 1 1 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.124 -0.824 25363 18 1 1 . 1 1 7 7 PHE H H 7 8.590 8.590 8.326 0.264 25363 19 1 1 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.623 0.227 25363 20 1 1 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.748 0.652 25363 21 1 1 . 1 1 8 8 LYS H H 8 8.120 8.120 7.706 0.414 25363 22 1 1 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.108 -0.018 25363 23 1 1 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.674 -0.274 25363 24 1 1 . 1 1 9 9 LYS H H 9 7.620 7.620 7.338 0.282 25363 25 1 1 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.476 0.264 25363 26 1 1 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.399 -1.899 25363 27 1 1 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.852 0.448 25363 28 1 1 . 1 1 10 10 VAL H H 10 7.960 7.960 7.993 -0.033 25363 29 1 1 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.865 -0.195 25363 30 1 1 . 1 1 11 11 LYS H H 11 8.240 8.240 7.593 0.647 25363 31 1 1 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.119 -0.139 25363 32 1 1 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.808 0.392 25363 33 1 1 . 1 1 12 12 LYS H H 12 7.870 7.870 7.447 0.423 25363 34 1 1 . 1 1 13 13 SER HA H 13 4.250 4.250 4.247 0.003 25363 35 1 1 . 1 1 13 13 SER CA C 13 61.200 61.200 61.939 -0.739 25363 36 1 1 . 1 1 13 13 SER CB C 13 62.500 62.500 63.176 -0.676 25363 37 1 1 . 1 1 13 13 SER H H 13 7.980 7.980 7.563 0.417 25363 38 1 1 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.658 -0.018 25363 39 1 1 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.160 -0.060 25363 40 1 1 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.389 -0.389 25363 41 1 1 . 1 1 14 14 VAL H H 14 8.460 8.460 8.481 -0.021 25363 42 1 1 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.945 -0.115 25363 43 1 1 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.532 0.768 25363 44 1 1 . 1 1 15 15 LYS H H 15 8.330 8.330 7.541 0.789 25363 45 1 1 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.165 -0.145 25363 46 1 1 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.799 0.101 25363 47 1 1 . 1 1 16 16 LYS H H 16 7.760 7.760 7.672 0.088 25363 48 1 1 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.127 0.083 25363 49 1 1 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.621 -1.321 25363 50 1 1 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.710 -0.110 25363 51 1 1 . 1 1 17 17 ARG H H 17 7.730 7.730 7.481 0.249 25363 52 1 1 . 1 1 18 18 LEU HA H 18 4.160 4.160 3.987 0.173 25363 53 1 1 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.826 -1.026 25363 54 1 1 . 1 1 18 18 LEU H H 18 8.390 8.390 8.253 0.137 25363 55 1 1 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.049 0.021 25363 56 1 1 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.212 -0.712 25363 57 1 1 . 1 1 19 19 LYS H H 19 7.930 7.930 7.674 0.256 25363 58 1 1 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.171 -0.011 25363 59 1 1 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.409 -1.009 25363 60 1 1 . 1 1 20 20 LYS H H 20 7.450 7.450 7.624 -0.174 25363 61 1 1 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.768 0.122 25363 62 1 1 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.512 -0.912 25363 63 1 1 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.200 0.100 25363 64 1 1 . 1 1 21 21 ILE H H 21 7.600 7.600 7.410 0.190 25363 65 1 1 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.602 0.028 25363 66 1 1 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.453 -0.053 25363 67 1 1 . 1 1 22 22 PHE H H 22 7.940 7.940 7.737 0.203 25363 68 1 1 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.425 -0.145 25363 69 1 1 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.117 0.283 25363 70 1 1 . 1 1 23 23 LYS H H 23 7.820 7.820 7.684 0.136 25363 71 1 1 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.510 0.110 25363 72 1 1 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.070 -1.370 25363 73 1 1 . 1 1 24 24 LYS H H 24 8.030 8.030 7.711 0.319 25363 74 1 1 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.383 0.027 25363 75 1 1 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.879 -1.879 25363 76 1 1 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.154 -0.953 25363 77 1 1 . 1 1 26 26 MET HA H 26 4.500 4.500 4.372 0.128 25363 78 1 1 . 1 1 26 26 MET CA C 26 55.100 55.100 56.553 -1.453 25363 79 1 1 . 1 1 26 26 MET CB C 26 33.100 33.100 32.861 0.239 25363 80 1 1 . 1 1 26 26 MET H H 26 8.420 8.420 7.772 0.648 25363 81 1 1 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.004 0.156 25363 82 1 1 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.013 -1.413 25363 83 1 1 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.270 0.030 25363 84 1 1 . 1 1 27 27 VAL H H 27 8.210 8.210 7.655 0.555 25363 85 1 1 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.330 -0.180 25363 86 1 1 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.102 0.698 25363 87 1 1 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.920 -0.720 25363 88 1 1 . 1 1 28 28 ILE H H 28 8.290 8.290 8.185 0.105 25363 89 1 1 . 1 1 29 29 GLY CA C 29 45.100 45.100 45.042 0.058 25363 90 1 1 . 1 1 29 29 GLY H H 29 8.560 8.560 8.682 -0.122 25363 91 1 1 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.443 -0.173 25363 92 1 1 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.897 0.003 25363 93 1 1 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.674 -0.774 25363 94 1 1 . 1 1 30 30 VAL H H 30 7.660 7.660 7.608 0.052 25363 95 1 1 . 1 1 31 31 THR HA H 31 4.350 4.350 4.530 -0.180 25363 96 1 1 . 1 1 31 31 THR CA C 31 61.300 61.300 61.240 0.060 25363 97 1 1 . 1 1 31 31 THR CB C 31 69.000 69.000 70.154 -1.154 25363 98 1 1 . 1 1 31 31 THR H H 31 8.260 8.260 8.112 0.148 25363 99 1 1 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.342 -0.022 25363 100 1 1 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.499 -1.699 25363 101 1 1 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.163 -1.463 25363 102 1 1 . 1 1 32 32 ILE H H 32 8.310 8.310 8.392 -0.082 25363 103 1 1 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.604 -0.134 25363 104 1 1 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.196 -0.296 25363 105 1 1 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.899 -0.499 25363 106 1 2 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.261 0.059 25363 107 1 2 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.977 -1.377 25363 108 1 2 . 1 1 2 2 ARG CB C 2 30.300 30.300 29.953 0.346 25363 109 1 2 . 1 1 2 2 ARG H H 2 8.960 8.960 8.476 0.484 25363 110 1 2 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.565 -0.065 25363 111 1 2 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.992 -0.492 25363 112 1 2 . 1 1 3 3 PHE H H 3 8.640 8.640 8.096 0.544 25363 113 1 2 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.651 0.329 25363 114 1 2 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.816 -0.216 25363 115 1 2 . 1 1 4 4 LYS H H 4 8.270 8.270 7.533 0.737 25363 116 1 2 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.101 -0.051 25363 117 1 2 . 1 1 5 5 LYS CA C 5 58.800 58.800 59.044 -0.244 25363 118 1 2 . 1 1 5 5 LYS H H 5 8.230 8.230 7.556 0.674 25363 119 1 2 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.263 0.087 25363 120 1 2 . 1 1 6 6 PHE H H 6 8.040 8.040 7.852 0.188 25363 121 1 2 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.744 0.386 25363 122 1 2 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.345 -1.045 25363 123 1 2 . 1 1 7 7 PHE H H 7 8.590 8.590 8.333 0.257 25363 124 1 2 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.653 0.197 25363 125 1 2 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.373 1.027 25363 126 1 2 . 1 1 8 8 LYS H H 8 8.120 8.120 7.766 0.354 25363 127 1 2 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.144 -0.054 25363 128 1 2 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.551 -0.151 25363 129 1 2 . 1 1 9 9 LYS H H 9 7.620 7.620 7.443 0.177 25363 130 1 2 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.488 0.252 25363 131 1 2 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.472 -0.972 25363 132 1 2 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.541 0.759 25363 133 1 2 . 1 1 10 10 VAL H H 10 7.960 7.960 7.831 0.129 25363 134 1 2 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.876 -0.206 25363 135 1 2 . 1 1 11 11 LYS H H 11 8.240 8.240 7.639 0.601 25363 136 1 2 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.077 -0.097 25363 137 1 2 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.172 0.028 25363 138 1 2 . 1 1 12 12 LYS H H 12 7.870 7.870 7.232 0.638 25363 139 1 2 . 1 1 13 13 SER HA H 13 4.250 4.250 4.266 -0.016 25363 140 1 2 . 1 1 13 13 SER CA C 13 61.200 61.200 61.055 0.145 25363 141 1 2 . 1 1 13 13 SER CB C 13 62.500 62.500 63.072 -0.572 25363 142 1 2 . 1 1 13 13 SER H H 13 7.980 7.980 7.620 0.360 25363 143 1 2 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.542 0.098 25363 144 1 2 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.242 -0.142 25363 145 1 2 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.390 -0.390 25363 146 1 2 . 1 1 14 14 VAL H H 14 8.460 8.460 8.391 0.069 25363 147 1 2 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.916 -0.086 25363 148 1 2 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.851 0.449 25363 149 1 2 . 1 1 15 15 LYS H H 15 8.330 8.330 7.659 0.671 25363 150 1 2 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.028 -0.008 25363 151 1 2 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.203 -0.303 25363 152 1 2 . 1 1 16 16 LYS H H 16 7.760 7.760 7.759 0.001 25363 153 1 2 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.161 0.049 25363 154 1 2 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.051 -0.751 25363 155 1 2 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.922 -0.322 25363 156 1 2 . 1 1 17 17 ARG H H 17 7.730 7.730 7.709 0.021 25363 157 1 2 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.080 0.080 25363 158 1 2 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.968 -1.168 25363 159 1 2 . 1 1 18 18 LEU H H 18 8.390 8.390 8.174 0.216 25363 160 1 2 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.001 0.069 25363 161 1 2 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.336 -0.835 25363 162 1 2 . 1 1 19 19 LYS H H 19 7.930 7.930 8.147 -0.217 25363 163 1 2 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.190 -0.030 25363 164 1 2 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.385 -0.985 25363 165 1 2 . 1 1 20 20 LYS H H 20 7.450 7.450 7.544 -0.094 25363 166 1 2 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.786 0.104 25363 167 1 2 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.783 -1.183 25363 168 1 2 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.213 0.087 25363 169 1 2 . 1 1 21 21 ILE H H 21 7.600 7.600 7.385 0.215 25363 170 1 2 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.539 0.091 25363 171 1 2 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.476 -0.076 25363 172 1 2 . 1 1 22 22 PHE H H 22 7.940 7.940 8.053 -0.113 25363 173 1 2 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.242 0.038 25363 174 1 2 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.375 -0.975 25363 175 1 2 . 1 1 23 23 LYS H H 23 7.820 7.820 7.806 0.014 25363 176 1 2 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.402 0.218 25363 177 1 2 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.043 -1.343 25363 178 1 2 . 1 1 24 24 LYS H H 24 8.030 8.030 8.058 -0.028 25363 179 1 2 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.513 -0.103 25363 180 1 2 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.369 -0.369 25363 181 1 2 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.572 -0.371 25363 182 1 2 . 1 1 26 26 MET HA H 26 4.500 4.500 4.331 0.169 25363 183 1 2 . 1 1 26 26 MET CA C 26 55.100 55.100 57.791 -2.691 25363 184 1 2 . 1 1 26 26 MET CB C 26 33.100 33.100 33.111 -0.011 25363 185 1 2 . 1 1 26 26 MET H H 26 8.420 8.420 8.789 -0.369 25363 186 1 2 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.186 -0.026 25363 187 1 2 . 1 1 27 27 VAL CA C 27 61.600 61.600 61.893 -0.293 25363 188 1 2 . 1 1 27 27 VAL CB C 27 32.300 32.300 34.021 -1.721 25363 189 1 2 . 1 1 27 27 VAL H H 27 8.210 8.210 7.898 0.312 25363 190 1 2 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.521 -0.371 25363 191 1 2 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.507 0.293 25363 192 1 2 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.798 -0.598 25363 193 1 2 . 1 1 28 28 ILE H H 28 8.290 8.290 8.266 0.024 25363 194 1 2 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.943 0.157 25363 195 1 2 . 1 1 29 29 GLY H H 29 8.560 8.560 8.795 -0.235 25363 196 1 2 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.438 -0.168 25363 197 1 2 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.285 -0.385 25363 198 1 2 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.942 -1.042 25363 199 1 2 . 1 1 30 30 VAL H H 30 7.660 7.660 7.287 0.373 25363 200 1 2 . 1 1 31 31 THR HA H 31 4.350 4.350 4.561 -0.211 25363 201 1 2 . 1 1 31 31 THR CA C 31 61.300 61.300 60.906 0.394 25363 202 1 2 . 1 1 31 31 THR CB C 31 69.000 69.000 70.691 -1.691 25363 203 1 2 . 1 1 31 31 THR H H 31 8.260 8.260 7.988 0.272 25363 204 1 2 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.136 0.184 25363 205 1 2 . 1 1 32 32 ILE CA C 32 57.800 57.800 60.306 -2.506 25363 206 1 2 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.551 -0.851 25363 207 1 2 . 1 1 32 32 ILE H H 32 8.310 8.310 8.470 -0.160 25363 208 1 2 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.364 0.106 25363 209 1 2 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.672 -0.772 25363 210 1 2 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.881 -1.481 25363 211 1 3 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.308 0.012 25363 212 1 3 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.604 -1.004 25363 213 1 3 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.391 -0.091 25363 214 1 3 . 1 1 2 2 ARG H H 2 8.960 8.960 8.595 0.365 25363 215 1 3 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.656 -0.156 25363 216 1 3 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.559 -0.059 25363 217 1 3 . 1 1 3 3 PHE H H 3 8.640 8.640 8.036 0.604 25363 218 1 3 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.663 0.317 25363 219 1 3 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.522 0.078 25363 220 1 3 . 1 1 4 4 LYS H H 4 8.270 8.270 7.710 0.560 25363 221 1 3 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.101 -0.051 25363 222 1 3 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.831 -0.031 25363 223 1 3 . 1 1 5 5 LYS H H 5 8.230 8.230 7.507 0.723 25363 224 1 3 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.248 0.102 25363 225 1 3 . 1 1 6 6 PHE H H 6 8.040 8.040 7.844 0.196 25363 226 1 3 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.777 0.353 25363 227 1 3 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.029 -0.729 25363 228 1 3 . 1 1 7 7 PHE H H 7 8.590 8.590 8.362 0.228 25363 229 1 3 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.657 0.193 25363 230 1 3 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.046 1.354 25363 231 1 3 . 1 1 8 8 LYS H H 8 8.120 8.120 7.704 0.416 25363 232 1 3 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.126 -0.036 25363 233 1 3 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.542 -0.142 25363 234 1 3 . 1 1 9 9 LYS H H 9 7.620 7.620 7.516 0.104 25363 235 1 3 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.428 0.312 25363 236 1 3 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.485 -1.985 25363 237 1 3 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.246 0.054 25363 238 1 3 . 1 1 10 10 VAL H H 10 7.960 7.960 7.909 0.051 25363 239 1 3 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.899 -0.229 25363 240 1 3 . 1 1 11 11 LYS H H 11 8.240 8.240 7.477 0.763 25363 241 1 3 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.102 -0.122 25363 242 1 3 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.926 0.274 25363 243 1 3 . 1 1 12 12 LYS H H 12 7.870 7.870 7.256 0.614 25363 244 1 3 . 1 1 13 13 SER HA H 13 4.250 4.250 4.241 0.009 25363 245 1 3 . 1 1 13 13 SER CA C 13 61.200 61.200 61.817 -0.617 25363 246 1 3 . 1 1 13 13 SER CB C 13 62.500 62.500 63.215 -0.715 25363 247 1 3 . 1 1 13 13 SER H H 13 7.980 7.980 7.643 0.337 25363 248 1 3 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.634 0.006 25363 249 1 3 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.241 -0.141 25363 250 1 3 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.280 -0.280 25363 251 1 3 . 1 1 14 14 VAL H H 14 8.460 8.460 8.373 0.087 25363 252 1 3 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.905 -0.075 25363 253 1 3 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.774 0.526 25363 254 1 3 . 1 1 15 15 LYS H H 15 8.330 8.330 7.546 0.784 25363 255 1 3 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.071 -0.051 25363 256 1 3 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.173 -0.273 25363 257 1 3 . 1 1 16 16 LYS H H 16 7.760 7.760 7.718 0.042 25363 258 1 3 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.096 0.114 25363 259 1 3 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.642 -1.342 25363 260 1 3 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.847 -0.247 25363 261 1 3 . 1 1 17 17 ARG H H 17 7.730 7.730 7.462 0.268 25363 262 1 3 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.098 0.062 25363 263 1 3 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.690 -0.890 25363 264 1 3 . 1 1 18 18 LEU H H 18 8.390 8.390 8.095 0.295 25363 265 1 3 . 1 1 19 19 LYS HA H 19 4.070 4.070 3.999 0.071 25363 266 1 3 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.440 -0.940 25363 267 1 3 . 1 1 19 19 LYS H H 19 7.930 7.930 7.632 0.298 25363 268 1 3 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.189 -0.029 25363 269 1 3 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.001 -0.601 25363 270 1 3 . 1 1 20 20 LYS H H 20 7.450 7.450 7.535 -0.085 25363 271 1 3 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.809 0.081 25363 272 1 3 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.889 -1.288 25363 273 1 3 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.179 0.121 25363 274 1 3 . 1 1 21 21 ILE H H 21 7.600 7.600 7.337 0.263 25363 275 1 3 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.536 0.094 25363 276 1 3 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.783 -0.383 25363 277 1 3 . 1 1 22 22 PHE H H 22 7.940 7.940 8.068 -0.128 25363 278 1 3 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.283 -0.003 25363 279 1 3 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.960 -0.560 25363 280 1 3 . 1 1 23 23 LYS H H 23 7.820 7.820 7.622 0.198 25363 281 1 3 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.385 0.235 25363 282 1 3 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.682 -1.982 25363 283 1 3 . 1 1 24 24 LYS H H 24 8.030 8.030 7.969 0.061 25363 284 1 3 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.355 0.055 25363 285 1 3 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.938 -1.938 25363 286 1 3 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.906 -0.706 25363 287 1 3 . 1 1 26 26 MET HA H 26 4.500 4.500 4.307 0.193 25363 288 1 3 . 1 1 26 26 MET CA C 26 55.100 55.100 56.315 -1.215 25363 289 1 3 . 1 1 26 26 MET CB C 26 33.100 33.100 32.756 0.344 25363 290 1 3 . 1 1 26 26 MET H H 26 8.420 8.420 7.700 0.720 25363 291 1 3 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.095 0.065 25363 292 1 3 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.592 -1.992 25363 293 1 3 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.688 -0.388 25363 294 1 3 . 1 1 27 27 VAL H H 27 8.210 8.210 7.515 0.695 25363 295 1 3 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.366 -0.216 25363 296 1 3 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.218 0.582 25363 297 1 3 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.120 0.080 25363 298 1 3 . 1 1 28 28 ILE H H 28 8.290 8.290 8.332 -0.042 25363 299 1 3 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.775 0.325 25363 300 1 3 . 1 1 29 29 GLY H H 29 8.560 8.560 8.696 -0.136 25363 301 1 3 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.504 -0.234 25363 302 1 3 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.322 -0.422 25363 303 1 3 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.476 -0.576 25363 304 1 3 . 1 1 30 30 VAL H H 30 7.660 7.660 7.620 0.040 25363 305 1 3 . 1 1 31 31 THR HA H 31 4.350 4.350 4.552 -0.202 25363 306 1 3 . 1 1 31 31 THR CA C 31 61.300 61.300 61.285 0.015 25363 307 1 3 . 1 1 31 31 THR CB C 31 69.000 69.000 70.192 -1.192 25363 308 1 3 . 1 1 31 31 THR H H 31 8.260 8.260 8.250 0.010 25363 309 1 3 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.274 0.046 25363 310 1 3 . 1 1 32 32 ILE CA C 32 57.800 57.800 60.089 -2.289 25363 311 1 3 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.388 -0.688 25363 312 1 3 . 1 1 32 32 ILE H H 32 8.310 8.310 8.662 -0.352 25363 313 1 3 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.394 0.076 25363 314 1 3 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.642 -0.742 25363 315 1 3 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.836 -1.436 25363 316 1 4 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.503 -0.183 25363 317 1 4 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.740 -1.141 25363 318 1 4 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.243 0.057 25363 319 1 4 . 1 1 2 2 ARG H H 2 8.960 8.960 8.565 0.395 25363 320 1 4 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.589 -0.089 25363 321 1 4 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.875 -0.375 25363 322 1 4 . 1 1 3 3 PHE H H 3 8.640 8.640 8.151 0.489 25363 323 1 4 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.645 0.335 25363 324 1 4 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.636 -0.036 25363 325 1 4 . 1 1 4 4 LYS H H 4 8.270 8.270 7.655 0.615 25363 326 1 4 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.097 -0.047 25363 327 1 4 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.910 -0.110 25363 328 1 4 . 1 1 5 5 LYS H H 5 8.230 8.230 7.595 0.635 25363 329 1 4 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.279 0.071 25363 330 1 4 . 1 1 6 6 PHE H H 6 8.040 8.040 7.853 0.187 25363 331 1 4 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.735 0.395 25363 332 1 4 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.141 -0.841 25363 333 1 4 . 1 1 7 7 PHE H H 7 8.590 8.590 8.324 0.266 25363 334 1 4 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.677 0.173 25363 335 1 4 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.697 0.703 25363 336 1 4 . 1 1 8 8 LYS H H 8 8.120 8.120 7.727 0.393 25363 337 1 4 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.147 -0.057 25363 338 1 4 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.516 -0.116 25363 339 1 4 . 1 1 9 9 LYS H H 9 7.620 7.620 7.445 0.175 25363 340 1 4 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.527 0.213 25363 341 1 4 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.064 -0.564 25363 342 1 4 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.431 0.869 25363 343 1 4 . 1 1 10 10 VAL H H 10 7.960 7.960 7.849 0.111 25363 344 1 4 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.845 -0.175 25363 345 1 4 . 1 1 11 11 LYS H H 11 8.240 8.240 7.616 0.624 25363 346 1 4 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.128 -0.148 25363 347 1 4 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.737 0.463 25363 348 1 4 . 1 1 12 12 LYS H H 12 7.870 7.870 7.362 0.508 25363 349 1 4 . 1 1 13 13 SER HA H 13 4.250 4.250 4.218 0.032 25363 350 1 4 . 1 1 13 13 SER CA C 13 61.200 61.200 61.429 -0.229 25363 351 1 4 . 1 1 13 13 SER CB C 13 62.500 62.500 63.231 -0.731 25363 352 1 4 . 1 1 13 13 SER H H 13 7.980 7.980 7.532 0.448 25363 353 1 4 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.685 -0.045 25363 354 1 4 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.133 -0.033 25363 355 1 4 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.244 -0.244 25363 356 1 4 . 1 1 14 14 VAL H H 14 8.460 8.460 8.473 -0.013 25363 357 1 4 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.905 -0.075 25363 358 1 4 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.688 0.612 25363 359 1 4 . 1 1 15 15 LYS H H 15 8.330 8.330 7.549 0.781 25363 360 1 4 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.019 0.001 25363 361 1 4 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.274 -0.374 25363 362 1 4 . 1 1 16 16 LYS H H 16 7.760 7.760 7.691 0.069 25363 363 1 4 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.120 0.089 25363 364 1 4 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.469 -1.169 25363 365 1 4 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.745 -0.145 25363 366 1 4 . 1 1 17 17 ARG H H 17 7.730 7.730 7.688 0.042 25363 367 1 4 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.061 0.099 25363 368 1 4 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.674 -0.874 25363 369 1 4 . 1 1 18 18 LEU H H 18 8.390 8.390 7.931 0.459 25363 370 1 4 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.052 0.018 25363 371 1 4 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.389 -0.889 25363 372 1 4 . 1 1 19 19 LYS H H 19 7.930 7.930 7.878 0.052 25363 373 1 4 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.228 -0.068 25363 374 1 4 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.288 -0.888 25363 375 1 4 . 1 1 20 20 LYS H H 20 7.450 7.450 7.543 -0.093 25363 376 1 4 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.821 0.069 25363 377 1 4 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.916 -1.316 25363 378 1 4 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.180 0.120 25363 379 1 4 . 1 1 21 21 ILE H H 21 7.600 7.600 7.324 0.276 25363 380 1 4 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.622 0.008 25363 381 1 4 . 1 1 22 22 PHE CA C 22 57.400 57.400 58.018 -0.618 25363 382 1 4 . 1 1 22 22 PHE H H 22 7.940 7.940 8.300 -0.360 25363 383 1 4 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.365 -0.085 25363 384 1 4 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.533 -1.133 25363 385 1 4 . 1 1 23 23 LYS H H 23 7.820 7.820 7.985 -0.165 25363 386 1 4 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.718 -0.098 25363 387 1 4 . 1 1 24 24 LYS CA C 24 53.700 53.700 53.380 0.320 25363 388 1 4 . 1 1 24 24 LYS H H 24 8.030 8.030 7.786 0.244 25363 389 1 4 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.474 -0.064 25363 390 1 4 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.571 -0.571 25363 391 1 4 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.144 -0.944 25363 392 1 4 . 1 1 26 26 MET HA H 26 4.500 4.500 4.409 0.091 25363 393 1 4 . 1 1 26 26 MET CA C 26 55.100 55.100 56.098 -0.998 25363 394 1 4 . 1 1 26 26 MET CB C 26 33.100 33.100 33.165 -0.065 25363 395 1 4 . 1 1 26 26 MET H H 26 8.420 8.420 8.869 -0.449 25363 396 1 4 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.071 0.089 25363 397 1 4 . 1 1 27 27 VAL CA C 27 61.600 61.600 61.875 -0.275 25363 398 1 4 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.198 0.102 25363 399 1 4 . 1 1 27 27 VAL H H 27 8.210 8.210 7.757 0.453 25363 400 1 4 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.345 -0.195 25363 401 1 4 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.656 0.144 25363 402 1 4 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.462 -0.262 25363 403 1 4 . 1 1 28 28 ILE H H 28 8.290 8.290 8.175 0.115 25363 404 1 4 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.974 0.126 25363 405 1 4 . 1 1 29 29 GLY H H 29 8.560 8.560 8.764 -0.204 25363 406 1 4 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.452 -0.182 25363 407 1 4 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.112 -0.212 25363 408 1 4 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.778 -0.878 25363 409 1 4 . 1 1 30 30 VAL H H 30 7.660 7.660 7.606 0.054 25363 410 1 4 . 1 1 31 31 THR HA H 31 4.350 4.350 4.529 -0.179 25363 411 1 4 . 1 1 31 31 THR CA C 31 61.300 61.300 61.356 -0.056 25363 412 1 4 . 1 1 31 31 THR CB C 31 69.000 69.000 69.793 -0.793 25363 413 1 4 . 1 1 31 31 THR H H 31 8.260 8.260 8.162 0.098 25363 414 1 4 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.323 -0.003 25363 415 1 4 . 1 1 32 32 ILE CA C 32 57.800 57.800 58.929 -1.129 25363 416 1 4 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.842 -1.142 25363 417 1 4 . 1 1 32 32 ILE H H 32 8.310 8.310 8.401 -0.091 25363 418 1 4 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.531 -0.061 25363 419 1 4 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.342 -0.442 25363 420 1 4 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.515 -0.115 25363 421 1 5 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.402 -0.082 25363 422 1 5 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.634 -1.034 25363 423 1 5 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.262 0.038 25363 424 1 5 . 1 1 2 2 ARG H H 2 8.960 8.960 8.376 0.584 25363 425 1 5 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.646 -0.146 25363 426 1 5 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.841 -0.341 25363 427 1 5 . 1 1 3 3 PHE H H 3 8.640 8.640 8.084 0.556 25363 428 1 5 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.670 0.310 25363 429 1 5 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.779 -0.179 25363 430 1 5 . 1 1 4 4 LYS H H 4 8.270 8.270 7.671 0.599 25363 431 1 5 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.095 -0.045 25363 432 1 5 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.883 -0.083 25363 433 1 5 . 1 1 5 5 LYS H H 5 8.230 8.230 7.536 0.694 25363 434 1 5 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.293 0.057 25363 435 1 5 . 1 1 6 6 PHE H H 6 8.040 8.040 7.872 0.168 25363 436 1 5 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.855 0.275 25363 437 1 5 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.506 -1.206 25363 438 1 5 . 1 1 7 7 PHE H H 7 8.590 8.590 8.133 0.457 25363 439 1 5 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.740 0.110 25363 440 1 5 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.337 1.063 25363 441 1 5 . 1 1 8 8 LYS H H 8 8.120 8.120 8.059 0.061 25363 442 1 5 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.136 -0.046 25363 443 1 5 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.661 -0.261 25363 444 1 5 . 1 1 9 9 LYS H H 9 7.620 7.620 7.339 0.281 25363 445 1 5 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.506 0.234 25363 446 1 5 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.345 -1.845 25363 447 1 5 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.725 0.575 25363 448 1 5 . 1 1 10 10 VAL H H 10 7.960 7.960 8.025 -0.065 25363 449 1 5 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.911 -0.241 25363 450 1 5 . 1 1 11 11 LYS H H 11 8.240 8.240 7.419 0.821 25363 451 1 5 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.082 -0.102 25363 452 1 5 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.008 0.192 25363 453 1 5 . 1 1 12 12 LYS H H 12 7.870 7.870 7.301 0.569 25363 454 1 5 . 1 1 13 13 SER HA H 13 4.250 4.250 4.235 0.015 25363 455 1 5 . 1 1 13 13 SER CA C 13 61.200 61.200 61.391 -0.191 25363 456 1 5 . 1 1 13 13 SER CB C 13 62.500 62.500 63.272 -0.772 25363 457 1 5 . 1 1 13 13 SER H H 13 7.980 7.980 7.626 0.354 25363 458 1 5 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.698 -0.058 25363 459 1 5 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.173 -0.073 25363 460 1 5 . 1 1 14 14 VAL CB C 14 31.000 31.000 30.940 0.060 25363 461 1 5 . 1 1 14 14 VAL H H 14 8.460 8.460 8.446 0.014 25363 462 1 5 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.944 -0.114 25363 463 1 5 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.855 0.445 25363 464 1 5 . 1 1 15 15 LYS H H 15 8.330 8.330 7.652 0.678 25363 465 1 5 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.083 -0.063 25363 466 1 5 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.049 -0.149 25363 467 1 5 . 1 1 16 16 LYS H H 16 7.760 7.760 7.715 0.045 25363 468 1 5 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.126 0.084 25363 469 1 5 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.194 -0.894 25363 470 1 5 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.730 -0.129 25363 471 1 5 . 1 1 17 17 ARG H H 17 7.730 7.730 7.450 0.280 25363 472 1 5 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.048 0.112 25363 473 1 5 . 1 1 18 18 LEU CA C 18 56.800 56.800 58.047 -1.247 25363 474 1 5 . 1 1 18 18 LEU H H 18 8.390 8.390 8.287 0.103 25363 475 1 5 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.044 0.026 25363 476 1 5 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.162 -0.662 25363 477 1 5 . 1 1 19 19 LYS H H 19 7.930 7.930 7.585 0.345 25363 478 1 5 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.204 -0.044 25363 479 1 5 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.186 -0.786 25363 480 1 5 . 1 1 20 20 LYS H H 20 7.450 7.450 7.708 -0.258 25363 481 1 5 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.784 0.106 25363 482 1 5 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.729 -1.129 25363 483 1 5 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.214 0.086 25363 484 1 5 . 1 1 21 21 ILE H H 21 7.600 7.600 7.383 0.217 25363 485 1 5 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.580 0.050 25363 486 1 5 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.421 -0.021 25363 487 1 5 . 1 1 22 22 PHE H H 22 7.940 7.940 7.766 0.174 25363 488 1 5 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.430 -0.150 25363 489 1 5 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.434 -0.034 25363 490 1 5 . 1 1 23 23 LYS H H 23 7.820 7.820 7.956 -0.136 25363 491 1 5 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.698 -0.078 25363 492 1 5 . 1 1 24 24 LYS CA C 24 53.700 53.700 53.614 0.086 25363 493 1 5 . 1 1 24 24 LYS H H 24 8.030 8.030 7.635 0.395 25363 494 1 5 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.531 -0.121 25363 495 1 5 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.562 -0.562 25363 496 1 5 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.622 -0.422 25363 497 1 5 . 1 1 26 26 MET HA H 26 4.500 4.500 4.429 0.071 25363 498 1 5 . 1 1 26 26 MET CA C 26 55.100 55.100 56.360 -1.260 25363 499 1 5 . 1 1 26 26 MET CB C 26 33.100 33.100 33.300 -0.200 25363 500 1 5 . 1 1 26 26 MET H H 26 8.420 8.420 8.616 -0.196 25363 501 1 5 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.039 0.121 25363 502 1 5 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.614 -1.014 25363 503 1 5 . 1 1 27 27 VAL CB C 27 32.300 32.300 31.997 0.302 25363 504 1 5 . 1 1 27 27 VAL H H 27 8.210 8.210 7.950 0.260 25363 505 1 5 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.333 -0.183 25363 506 1 5 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.396 0.404 25363 507 1 5 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.727 -0.527 25363 508 1 5 . 1 1 28 28 ILE H H 28 8.290 8.290 8.245 0.045 25363 509 1 5 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.883 0.217 25363 510 1 5 . 1 1 29 29 GLY H H 29 8.560 8.560 8.760 -0.200 25363 511 1 5 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.465 -0.195 25363 512 1 5 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.938 -0.038 25363 513 1 5 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.256 -0.356 25363 514 1 5 . 1 1 30 30 VAL H H 30 7.660 7.660 7.624 0.036 25363 515 1 5 . 1 1 31 31 THR HA H 31 4.350 4.350 4.436 -0.086 25363 516 1 5 . 1 1 31 31 THR CA C 31 61.300 61.300 61.447 -0.147 25363 517 1 5 . 1 1 31 31 THR CB C 31 69.000 69.000 69.759 -0.759 25363 518 1 5 . 1 1 31 31 THR H H 31 8.260 8.260 8.047 0.213 25363 519 1 5 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.269 0.051 25363 520 1 5 . 1 1 32 32 ILE CA C 32 57.800 57.800 58.811 -1.011 25363 521 1 5 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.160 -1.460 25363 522 1 5 . 1 1 32 32 ILE H H 32 8.310 8.310 8.434 -0.124 25363 523 1 5 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.604 -0.134 25363 524 1 5 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.278 -0.378 25363 525 1 5 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.355 0.045 25363 526 1 6 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.520 -0.200 25363 527 1 6 . 1 1 2 2 ARG CA C 2 56.600 56.600 56.261 0.339 25363 528 1 6 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.248 0.052 25363 529 1 6 . 1 1 2 2 ARG H H 2 8.960 8.960 8.660 0.300 25363 530 1 6 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.363 0.137 25363 531 1 6 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.444 0.056 25363 532 1 6 . 1 1 3 3 PHE H H 3 8.640 8.640 8.141 0.499 25363 533 1 6 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.619 0.361 25363 534 1 6 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.390 0.210 25363 535 1 6 . 1 1 4 4 LYS H H 4 8.270 8.270 7.546 0.724 25363 536 1 6 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.097 -0.047 25363 537 1 6 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.857 -0.057 25363 538 1 6 . 1 1 5 5 LYS H H 5 8.230 8.230 7.698 0.532 25363 539 1 6 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.282 0.068 25363 540 1 6 . 1 1 6 6 PHE H H 6 8.040 8.040 7.856 0.184 25363 541 1 6 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.744 0.386 25363 542 1 6 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.260 -0.960 25363 543 1 6 . 1 1 7 7 PHE H H 7 8.590 8.590 8.323 0.267 25363 544 1 6 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.644 0.206 25363 545 1 6 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.685 0.715 25363 546 1 6 . 1 1 8 8 LYS H H 8 8.120 8.120 7.722 0.398 25363 547 1 6 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.115 -0.025 25363 548 1 6 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.538 -0.138 25363 549 1 6 . 1 1 9 9 LYS H H 9 7.620 7.620 7.387 0.233 25363 550 1 6 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.409 0.331 25363 551 1 6 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.443 -1.943 25363 552 1 6 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.201 0.098 25363 553 1 6 . 1 1 10 10 VAL H H 10 7.960 7.960 7.891 0.069 25363 554 1 6 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.846 -0.176 25363 555 1 6 . 1 1 11 11 LYS H H 11 8.240 8.240 7.580 0.660 25363 556 1 6 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.084 -0.104 25363 557 1 6 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.953 0.247 25363 558 1 6 . 1 1 12 12 LYS H H 12 7.870 7.870 7.427 0.443 25363 559 1 6 . 1 1 13 13 SER HA H 13 4.250 4.250 4.232 0.018 25363 560 1 6 . 1 1 13 13 SER CA C 13 61.200 61.200 61.283 -0.083 25363 561 1 6 . 1 1 13 13 SER CB C 13 62.500 62.500 63.194 -0.694 25363 562 1 6 . 1 1 13 13 SER H H 13 7.980 7.980 7.520 0.460 25363 563 1 6 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.604 0.036 25363 564 1 6 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.081 0.019 25363 565 1 6 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.467 -0.467 25363 566 1 6 . 1 1 14 14 VAL H H 14 8.460 8.460 8.499 -0.039 25363 567 1 6 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.936 -0.106 25363 568 1 6 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.725 0.575 25363 569 1 6 . 1 1 15 15 LYS H H 15 8.330 8.330 7.584 0.746 25363 570 1 6 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.084 -0.064 25363 571 1 6 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.223 -0.323 25363 572 1 6 . 1 1 16 16 LYS H H 16 7.760 7.760 7.623 0.137 25363 573 1 6 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.108 0.102 25363 574 1 6 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.546 -1.246 25363 575 1 6 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.806 -0.206 25363 576 1 6 . 1 1 17 17 ARG H H 17 7.730 7.730 7.420 0.310 25363 577 1 6 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.077 0.083 25363 578 1 6 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.716 -0.916 25363 579 1 6 . 1 1 18 18 LEU H H 18 8.390 8.390 8.222 0.168 25363 580 1 6 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.022 0.048 25363 581 1 6 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.351 -0.851 25363 582 1 6 . 1 1 19 19 LYS H H 19 7.930 7.930 7.676 0.254 25363 583 1 6 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.191 -0.032 25363 584 1 6 . 1 1 20 20 LYS CA C 20 57.400 57.400 57.853 -0.453 25363 585 1 6 . 1 1 20 20 LYS H H 20 7.450 7.450 7.569 -0.119 25363 586 1 6 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.785 0.105 25363 587 1 6 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.779 -1.179 25363 588 1 6 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.197 0.103 25363 589 1 6 . 1 1 21 21 ILE H H 21 7.600 7.600 7.492 0.108 25363 590 1 6 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.566 0.064 25363 591 1 6 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.485 -0.085 25363 592 1 6 . 1 1 22 22 PHE H H 22 7.940 7.940 7.804 0.136 25363 593 1 6 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.377 -0.097 25363 594 1 6 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.173 0.227 25363 595 1 6 . 1 1 23 23 LYS H H 23 7.820 7.820 7.754 0.066 25363 596 1 6 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.740 -0.120 25363 597 1 6 . 1 1 24 24 LYS CA C 24 53.700 53.700 53.620 0.081 25363 598 1 6 . 1 1 24 24 LYS H H 24 8.030 8.030 7.636 0.394 25363 599 1 6 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.397 0.013 25363 600 1 6 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.987 -1.987 25363 601 1 6 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.982 -0.782 25363 602 1 6 . 1 1 26 26 MET HA H 26 4.500 4.500 4.288 0.212 25363 603 1 6 . 1 1 26 26 MET CA C 26 55.100 55.100 56.768 -1.668 25363 604 1 6 . 1 1 26 26 MET CB C 26 33.100 33.100 32.478 0.622 25363 605 1 6 . 1 1 26 26 MET H H 26 8.420 8.420 7.746 0.674 25363 606 1 6 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.039 0.121 25363 607 1 6 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.154 -1.554 25363 608 1 6 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.553 -0.253 25363 609 1 6 . 1 1 27 27 VAL H H 27 8.210 8.210 7.561 0.649 25363 610 1 6 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.330 -0.180 25363 611 1 6 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.209 0.591 25363 612 1 6 . 1 1 28 28 ILE CB C 28 38.200 38.200 37.838 0.362 25363 613 1 6 . 1 1 28 28 ILE H H 28 8.290 8.290 8.295 -0.005 25363 614 1 6 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.934 0.166 25363 615 1 6 . 1 1 29 29 GLY H H 29 8.560 8.560 8.751 -0.191 25363 616 1 6 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.533 -0.263 25363 617 1 6 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.137 -0.237 25363 618 1 6 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.411 -0.511 25363 619 1 6 . 1 1 30 30 VAL H H 30 7.660 7.660 7.563 0.097 25363 620 1 6 . 1 1 31 31 THR HA H 31 4.350 4.350 4.573 -0.223 25363 621 1 6 . 1 1 31 31 THR CA C 31 61.300 61.300 61.069 0.231 25363 622 1 6 . 1 1 31 31 THR CB C 31 69.000 69.000 70.959 -1.959 25363 623 1 6 . 1 1 31 31 THR H H 31 8.260 8.260 8.095 0.165 25363 624 1 6 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.305 0.015 25363 625 1 6 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.313 -1.513 25363 626 1 6 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.132 -1.432 25363 627 1 6 . 1 1 32 32 ILE H H 32 8.310 8.310 8.571 -0.261 25363 628 1 6 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.614 -0.144 25363 629 1 6 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.230 -0.330 25363 630 1 6 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.437 -0.037 25363 631 1 7 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.514 -0.194 25363 632 1 7 . 1 1 2 2 ARG CA C 2 56.600 56.600 55.896 0.704 25363 633 1 7 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.203 0.097 25363 634 1 7 . 1 1 2 2 ARG H H 2 8.960 8.960 8.560 0.400 25363 635 1 7 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.455 0.045 25363 636 1 7 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.333 0.168 25363 637 1 7 . 1 1 3 3 PHE H H 3 8.640 8.640 8.069 0.571 25363 638 1 7 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.667 0.313 25363 639 1 7 . 1 1 4 4 LYS CA C 4 59.600 59.600 58.910 0.690 25363 640 1 7 . 1 1 4 4 LYS H H 4 8.270 8.270 7.492 0.778 25363 641 1 7 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.112 -0.062 25363 642 1 7 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.736 0.064 25363 643 1 7 . 1 1 5 5 LYS H H 5 8.230 8.230 7.532 0.698 25363 644 1 7 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.256 0.094 25363 645 1 7 . 1 1 6 6 PHE H H 6 8.040 8.040 7.844 0.196 25363 646 1 7 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.755 0.375 25363 647 1 7 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.130 -0.830 25363 648 1 7 . 1 1 7 7 PHE H H 7 8.590 8.590 8.339 0.251 25363 649 1 7 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.610 0.240 25363 650 1 7 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.183 1.217 25363 651 1 7 . 1 1 8 8 LYS H H 8 8.120 8.120 7.678 0.442 25363 652 1 7 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.137 -0.047 25363 653 1 7 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.358 0.043 25363 654 1 7 . 1 1 9 9 LYS H H 9 7.620 7.620 7.374 0.246 25363 655 1 7 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.463 0.277 25363 656 1 7 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.391 -1.891 25363 657 1 7 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.794 0.506 25363 658 1 7 . 1 1 10 10 VAL H H 10 7.960 7.960 7.991 -0.031 25363 659 1 7 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.850 -0.180 25363 660 1 7 . 1 1 11 11 LYS H H 11 8.240 8.240 7.572 0.668 25363 661 1 7 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.078 -0.098 25363 662 1 7 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.181 0.019 25363 663 1 7 . 1 1 12 12 LYS H H 12 7.870 7.870 7.459 0.411 25363 664 1 7 . 1 1 13 13 SER HA H 13 4.250 4.250 4.242 0.009 25363 665 1 7 . 1 1 13 13 SER CA C 13 61.200 61.200 61.479 -0.279 25363 666 1 7 . 1 1 13 13 SER CB C 13 62.500 62.500 63.081 -0.581 25363 667 1 7 . 1 1 13 13 SER H H 13 7.980 7.980 7.536 0.444 25363 668 1 7 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.647 -0.007 25363 669 1 7 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.127 -0.027 25363 670 1 7 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.319 -0.319 25363 671 1 7 . 1 1 14 14 VAL H H 14 8.460 8.460 8.393 0.067 25363 672 1 7 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.913 -0.083 25363 673 1 7 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.975 0.325 25363 674 1 7 . 1 1 15 15 LYS H H 15 8.330 8.330 7.579 0.751 25363 675 1 7 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.054 -0.034 25363 676 1 7 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.413 -0.513 25363 677 1 7 . 1 1 16 16 LYS H H 16 7.760 7.760 7.652 0.108 25363 678 1 7 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.153 0.057 25363 679 1 7 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.621 -1.321 25363 680 1 7 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.638 -0.038 25363 681 1 7 . 1 1 17 17 ARG H H 17 7.730 7.730 7.311 0.419 25363 682 1 7 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.068 0.092 25363 683 1 7 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.553 -0.753 25363 684 1 7 . 1 1 18 18 LEU H H 18 8.390 8.390 8.158 0.232 25363 685 1 7 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.021 0.049 25363 686 1 7 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.493 -0.994 25363 687 1 7 . 1 1 19 19 LYS H H 19 7.930 7.930 8.030 -0.100 25363 688 1 7 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.188 -0.028 25363 689 1 7 . 1 1 20 20 LYS CA C 20 57.400 57.400 57.789 -0.390 25363 690 1 7 . 1 1 20 20 LYS H H 20 7.450 7.450 7.559 -0.109 25363 691 1 7 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.786 0.104 25363 692 1 7 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.926 -1.326 25363 693 1 7 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.166 0.134 25363 694 1 7 . 1 1 21 21 ILE H H 21 7.600 7.600 7.417 0.183 25363 695 1 7 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.596 0.034 25363 696 1 7 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.588 -0.188 25363 697 1 7 . 1 1 22 22 PHE H H 22 7.940 7.940 7.845 0.095 25363 698 1 7 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.341 -0.061 25363 699 1 7 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.748 -0.348 25363 700 1 7 . 1 1 23 23 LYS H H 23 7.820 7.820 7.615 0.205 25363 701 1 7 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.268 0.352 25363 702 1 7 . 1 1 24 24 LYS CA C 24 53.700 53.700 56.145 -2.445 25363 703 1 7 . 1 1 24 24 LYS H H 24 8.030 8.030 7.812 0.218 25363 704 1 7 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.417 -0.007 25363 705 1 7 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.487 -1.487 25363 706 1 7 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.994 -0.794 25363 707 1 7 . 1 1 26 26 MET HA H 26 4.500 4.500 4.228 0.272 25363 708 1 7 . 1 1 26 26 MET CA C 26 55.100 55.100 56.913 -1.813 25363 709 1 7 . 1 1 26 26 MET CB C 26 33.100 33.100 32.275 0.825 25363 710 1 7 . 1 1 26 26 MET H H 26 8.420 8.420 7.935 0.485 25363 711 1 7 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.051 0.109 25363 712 1 7 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.039 -1.439 25363 713 1 7 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.653 -0.353 25363 714 1 7 . 1 1 27 27 VAL H H 27 8.210 8.210 7.878 0.332 25363 715 1 7 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.343 -0.193 25363 716 1 7 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.690 0.110 25363 717 1 7 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.539 -1.339 25363 718 1 7 . 1 1 28 28 ILE H H 28 8.290 8.290 8.131 0.159 25363 719 1 7 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.985 0.115 25363 720 1 7 . 1 1 29 29 GLY H H 29 8.560 8.560 8.746 -0.186 25363 721 1 7 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.419 -0.149 25363 722 1 7 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.429 0.471 25363 723 1 7 . 1 1 30 30 VAL CB C 30 32.900 32.900 32.757 0.143 25363 724 1 7 . 1 1 30 30 VAL H H 30 7.660 7.660 7.576 0.084 25363 725 1 7 . 1 1 31 31 THR HA H 31 4.350 4.350 4.517 -0.167 25363 726 1 7 . 1 1 31 31 THR CA C 31 61.300 61.300 61.033 0.267 25363 727 1 7 . 1 1 31 31 THR CB C 31 69.000 69.000 70.803 -1.803 25363 728 1 7 . 1 1 31 31 THR H H 31 8.260 8.260 8.146 0.114 25363 729 1 7 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.237 0.083 25363 730 1 7 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.956 -2.156 25363 731 1 7 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.662 -0.962 25363 732 1 7 . 1 1 32 32 ILE H H 32 8.310 8.310 8.499 -0.189 25363 733 1 7 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.358 0.112 25363 734 1 7 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.664 -0.764 25363 735 1 7 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.862 -1.462 25363 736 1 8 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.192 0.128 25363 737 1 8 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.746 -1.146 25363 738 1 8 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.129 0.171 25363 739 1 8 . 1 1 2 2 ARG H H 2 8.960 8.960 8.401 0.559 25363 740 1 8 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.492 0.008 25363 741 1 8 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.354 0.146 25363 742 1 8 . 1 1 3 3 PHE H H 3 8.640 8.640 8.187 0.453 25363 743 1 8 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.607 0.373 25363 744 1 8 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.606 -0.006 25363 745 1 8 . 1 1 4 4 LYS H H 4 8.270 8.270 7.259 1.011 25363 746 1 8 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.095 -0.045 25363 747 1 8 . 1 1 5 5 LYS CA C 5 58.800 58.800 59.038 -0.238 25363 748 1 8 . 1 1 5 5 LYS H H 5 8.230 8.230 7.576 0.654 25363 749 1 8 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.272 0.078 25363 750 1 8 . 1 1 6 6 PHE H H 6 8.040 8.040 7.855 0.185 25363 751 1 8 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.745 0.385 25363 752 1 8 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.383 -1.083 25363 753 1 8 . 1 1 7 7 PHE H H 7 8.590 8.590 8.311 0.279 25363 754 1 8 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.735 0.115 25363 755 1 8 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.202 1.198 25363 756 1 8 . 1 1 8 8 LYS H H 8 8.120 8.120 7.700 0.420 25363 757 1 8 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.174 -0.084 25363 758 1 8 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.282 0.118 25363 759 1 8 . 1 1 9 9 LYS H H 9 7.620 7.620 7.410 0.210 25363 760 1 8 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.504 0.236 25363 761 1 8 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.128 -1.628 25363 762 1 8 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.993 0.307 25363 763 1 8 . 1 1 10 10 VAL H H 10 7.960 7.960 7.822 0.138 25363 764 1 8 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.766 -0.096 25363 765 1 8 . 1 1 11 11 LYS H H 11 8.240 8.240 7.583 0.657 25363 766 1 8 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.050 -0.070 25363 767 1 8 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.824 0.376 25363 768 1 8 . 1 1 12 12 LYS H H 12 7.870 7.870 7.415 0.455 25363 769 1 8 . 1 1 13 13 SER HA H 13 4.250 4.250 4.260 -0.010 25363 770 1 8 . 1 1 13 13 SER CA C 13 61.200 61.200 61.160 0.040 25363 771 1 8 . 1 1 13 13 SER CB C 13 62.500 62.500 63.277 -0.777 25363 772 1 8 . 1 1 13 13 SER H H 13 7.980 7.980 7.517 0.463 25363 773 1 8 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.679 -0.039 25363 774 1 8 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.018 0.082 25363 775 1 8 . 1 1 14 14 VAL CB C 14 31.000 31.000 30.859 0.141 25363 776 1 8 . 1 1 14 14 VAL H H 14 8.460 8.460 8.681 -0.221 25363 777 1 8 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.937 -0.107 25363 778 1 8 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.760 0.540 25363 779 1 8 . 1 1 15 15 LYS H H 15 8.330 8.330 7.681 0.649 25363 780 1 8 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.082 -0.062 25363 781 1 8 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.138 -0.238 25363 782 1 8 . 1 1 16 16 LYS H H 16 7.760 7.760 7.743 0.017 25363 783 1 8 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.111 0.099 25363 784 1 8 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.209 -0.909 25363 785 1 8 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.643 -0.043 25363 786 1 8 . 1 1 17 17 ARG H H 17 7.730 7.730 7.761 -0.031 25363 787 1 8 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.072 0.088 25363 788 1 8 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.785 -0.985 25363 789 1 8 . 1 1 18 18 LEU H H 18 8.390 8.390 8.027 0.363 25363 790 1 8 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.019 0.051 25363 791 1 8 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.191 -0.691 25363 792 1 8 . 1 1 19 19 LYS H H 19 7.930 7.930 7.606 0.324 25363 793 1 8 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.166 -0.006 25363 794 1 8 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.480 -1.080 25363 795 1 8 . 1 1 20 20 LYS H H 20 7.450 7.450 7.663 -0.213 25363 796 1 8 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.743 0.147 25363 797 1 8 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.975 -1.375 25363 798 1 8 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.239 0.061 25363 799 1 8 . 1 1 21 21 ILE H H 21 7.600 7.600 7.457 0.143 25363 800 1 8 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.508 0.122 25363 801 1 8 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.605 -0.205 25363 802 1 8 . 1 1 22 22 PHE H H 22 7.940 7.940 8.025 -0.085 25363 803 1 8 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.231 0.049 25363 804 1 8 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.351 -0.951 25363 805 1 8 . 1 1 23 23 LYS H H 23 7.820 7.820 7.550 0.270 25363 806 1 8 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.236 0.384 25363 807 1 8 . 1 1 24 24 LYS CA C 24 53.700 53.700 56.025 -2.325 25363 808 1 8 . 1 1 24 24 LYS H H 24 8.030 8.030 8.027 0.003 25363 809 1 8 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.356 0.054 25363 810 1 8 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.546 -1.546 25363 811 1 8 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.220 -1.020 25363 812 1 8 . 1 1 26 26 MET HA H 26 4.500 4.500 4.540 -0.040 25363 813 1 8 . 1 1 26 26 MET CA C 26 55.100 55.100 55.058 0.042 25363 814 1 8 . 1 1 26 26 MET CB C 26 33.100 33.100 30.901 2.199 25363 815 1 8 . 1 1 26 26 MET H H 26 8.420 8.420 7.923 0.497 25363 816 1 8 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.078 0.082 25363 817 1 8 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.282 -1.683 25363 818 1 8 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.425 -0.125 25363 819 1 8 . 1 1 27 27 VAL H H 27 8.210 8.210 7.838 0.372 25363 820 1 8 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.377 -0.227 25363 821 1 8 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.060 -0.260 25363 822 1 8 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.156 -0.956 25363 823 1 8 . 1 1 28 28 ILE H H 28 8.290 8.290 8.388 -0.098 25363 824 1 8 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.784 0.316 25363 825 1 8 . 1 1 29 29 GLY H H 29 8.560 8.560 8.771 -0.211 25363 826 1 8 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.456 -0.186 25363 827 1 8 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.762 0.138 25363 828 1 8 . 1 1 30 30 VAL CB C 30 32.900 32.900 32.776 0.124 25363 829 1 8 . 1 1 30 30 VAL H H 30 7.660 7.660 7.655 0.005 25363 830 1 8 . 1 1 31 31 THR HA H 31 4.350 4.350 4.498 -0.148 25363 831 1 8 . 1 1 31 31 THR CA C 31 61.300 61.300 61.220 0.080 25363 832 1 8 . 1 1 31 31 THR CB C 31 69.000 69.000 69.881 -0.881 25363 833 1 8 . 1 1 31 31 THR H H 31 8.260 8.260 8.057 0.203 25363 834 1 8 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.184 0.136 25363 835 1 8 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.207 -1.407 25363 836 1 8 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.148 -1.448 25363 837 1 8 . 1 1 32 32 ILE H H 32 8.310 8.310 8.481 -0.171 25363 838 1 8 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.532 -0.062 25363 839 1 8 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.352 -0.452 25363 840 1 8 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.512 -0.112 25363 841 1 9 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.427 -0.107 25363 842 1 9 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.735 -1.135 25363 843 1 9 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.202 0.098 25363 844 1 9 . 1 1 2 2 ARG H H 2 8.960 8.960 8.320 0.640 25363 845 1 9 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.575 -0.075 25363 846 1 9 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.937 -0.437 25363 847 1 9 . 1 1 3 3 PHE H H 3 8.640 8.640 8.111 0.529 25363 848 1 9 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.635 0.345 25363 849 1 9 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.554 0.046 25363 850 1 9 . 1 1 4 4 LYS H H 4 8.270 8.270 7.645 0.625 25363 851 1 9 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.089 -0.039 25363 852 1 9 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.964 -0.164 25363 853 1 9 . 1 1 5 5 LYS H H 5 8.230 8.230 7.581 0.649 25363 854 1 9 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.276 0.074 25363 855 1 9 . 1 1 6 6 PHE H H 6 8.040 8.040 7.854 0.186 25363 856 1 9 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.734 0.396 25363 857 1 9 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.403 -1.103 25363 858 1 9 . 1 1 7 7 PHE H H 7 8.590 8.590 8.324 0.266 25363 859 1 9 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.691 0.159 25363 860 1 9 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.851 0.549 25363 861 1 9 . 1 1 8 8 LYS H H 8 8.120 8.120 7.790 0.330 25363 862 1 9 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.118 -0.028 25363 863 1 9 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.764 -0.364 25363 864 1 9 . 1 1 9 9 LYS H H 9 7.620 7.620 7.392 0.228 25363 865 1 9 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.490 0.250 25363 866 1 9 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.461 -0.961 25363 867 1 9 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.540 0.760 25363 868 1 9 . 1 1 10 10 VAL H H 10 7.960 7.960 7.844 0.116 25363 869 1 9 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.872 -0.202 25363 870 1 9 . 1 1 11 11 LYS H H 11 8.240 8.240 7.591 0.649 25363 871 1 9 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.084 -0.104 25363 872 1 9 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.966 0.234 25363 873 1 9 . 1 1 12 12 LYS H H 12 7.870 7.870 7.231 0.639 25363 874 1 9 . 1 1 13 13 SER HA H 13 4.250 4.250 4.247 0.003 25363 875 1 9 . 1 1 13 13 SER CA C 13 61.200 61.200 61.796 -0.596 25363 876 1 9 . 1 1 13 13 SER CB C 13 62.500 62.500 63.249 -0.749 25363 877 1 9 . 1 1 13 13 SER H H 13 7.980 7.980 7.603 0.377 25363 878 1 9 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.608 0.032 25363 879 1 9 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.214 -0.114 25363 880 1 9 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.340 -0.340 25363 881 1 9 . 1 1 14 14 VAL H H 14 8.460 8.460 8.439 0.021 25363 882 1 9 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.932 -0.102 25363 883 1 9 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.701 0.599 25363 884 1 9 . 1 1 15 15 LYS H H 15 8.330 8.330 7.630 0.700 25363 885 1 9 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.068 -0.048 25363 886 1 9 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.801 0.099 25363 887 1 9 . 1 1 16 16 LYS H H 16 7.760 7.760 7.654 0.106 25363 888 1 9 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.099 0.111 25363 889 1 9 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.647 -1.347 25363 890 1 9 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.819 -0.218 25363 891 1 9 . 1 1 17 17 ARG H H 17 7.730 7.730 7.552 0.178 25363 892 1 9 . 1 1 18 18 LEU HA H 18 4.160 4.160 3.993 0.167 25363 893 1 9 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.787 -0.987 25363 894 1 9 . 1 1 18 18 LEU H H 18 8.390 8.390 7.924 0.466 25363 895 1 9 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.023 0.047 25363 896 1 9 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.346 -0.846 25363 897 1 9 . 1 1 19 19 LYS H H 19 7.930 7.930 7.654 0.276 25363 898 1 9 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.171 -0.011 25363 899 1 9 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.144 -0.744 25363 900 1 9 . 1 1 20 20 LYS H H 20 7.450 7.450 7.590 -0.140 25363 901 1 9 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.768 0.122 25363 902 1 9 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.883 -1.283 25363 903 1 9 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.203 0.097 25363 904 1 9 . 1 1 21 21 ILE H H 21 7.600 7.600 7.417 0.183 25363 905 1 9 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.544 0.086 25363 906 1 9 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.286 0.114 25363 907 1 9 . 1 1 22 22 PHE H H 22 7.940 7.940 7.953 -0.013 25363 908 1 9 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.323 -0.043 25363 909 1 9 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.838 -0.438 25363 910 1 9 . 1 1 23 23 LYS H H 23 7.820 7.820 7.700 0.120 25363 911 1 9 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.382 0.238 25363 912 1 9 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.279 -1.579 25363 913 1 9 . 1 1 24 24 LYS H H 24 8.030 8.030 8.013 0.017 25363 914 1 9 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.492 -0.082 25363 915 1 9 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.310 -0.310 25363 916 1 9 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.631 -0.431 25363 917 1 9 . 1 1 26 26 MET HA H 26 4.500 4.500 4.418 0.082 25363 918 1 9 . 1 1 26 26 MET CA C 26 55.100 55.100 57.222 -2.122 25363 919 1 9 . 1 1 26 26 MET CB C 26 33.100 33.100 32.673 0.427 25363 920 1 9 . 1 1 26 26 MET H H 26 8.420 8.420 8.869 -0.449 25363 921 1 9 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.204 -0.044 25363 922 1 9 . 1 1 27 27 VAL CA C 27 61.600 61.600 61.962 -0.362 25363 923 1 9 . 1 1 27 27 VAL CB C 27 32.300 32.300 33.560 -1.260 25363 924 1 9 . 1 1 27 27 VAL H H 27 8.210 8.210 7.724 0.486 25363 925 1 9 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.533 -0.383 25363 926 1 9 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.110 -0.310 25363 927 1 9 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.857 -0.657 25363 928 1 9 . 1 1 28 28 ILE H H 28 8.290 8.290 8.430 -0.140 25363 929 1 9 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.779 0.321 25363 930 1 9 . 1 1 29 29 GLY H H 29 8.560 8.560 8.711 -0.151 25363 931 1 9 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.476 -0.206 25363 932 1 9 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.866 0.034 25363 933 1 9 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.402 -0.502 25363 934 1 9 . 1 1 30 30 VAL H H 30 7.660 7.660 7.691 -0.031 25363 935 1 9 . 1 1 31 31 THR HA H 31 4.350 4.350 4.547 -0.197 25363 936 1 9 . 1 1 31 31 THR CA C 31 61.300 61.300 60.976 0.324 25363 937 1 9 . 1 1 31 31 THR CB C 31 69.000 69.000 70.842 -1.842 25363 938 1 9 . 1 1 31 31 THR H H 31 8.260 8.260 8.103 0.157 25363 939 1 9 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.006 0.314 25363 940 1 9 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.978 -2.178 25363 941 1 9 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.985 -1.285 25363 942 1 9 . 1 1 32 32 ILE H H 32 8.310 8.310 8.343 -0.033 25363 943 1 9 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.253 0.217 25363 944 1 9 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.789 -0.889 25363 945 1 9 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.554 -1.154 25363 946 1 10 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.321 -0.001 25363 947 1 10 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.868 -1.268 25363 948 1 10 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.058 0.242 25363 949 1 10 . 1 1 2 2 ARG H H 2 8.960 8.960 8.308 0.652 25363 950 1 10 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.549 -0.049 25363 951 1 10 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.986 -0.486 25363 952 1 10 . 1 1 3 3 PHE H H 3 8.640 8.640 8.097 0.543 25363 953 1 10 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.645 0.335 25363 954 1 10 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.642 -0.043 25363 955 1 10 . 1 1 4 4 LYS H H 4 8.270 8.270 7.641 0.629 25363 956 1 10 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.089 -0.039 25363 957 1 10 . 1 1 5 5 LYS CA C 5 58.800 58.800 59.025 -0.225 25363 958 1 10 . 1 1 5 5 LYS H H 5 8.230 8.230 7.568 0.662 25363 959 1 10 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.258 0.092 25363 960 1 10 . 1 1 6 6 PHE H H 6 8.040 8.040 7.855 0.185 25363 961 1 10 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.753 0.377 25363 962 1 10 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.267 -0.967 25363 963 1 10 . 1 1 7 7 PHE H H 7 8.590 8.590 8.341 0.249 25363 964 1 10 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.650 0.200 25363 965 1 10 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.184 1.216 25363 966 1 10 . 1 1 8 8 LYS H H 8 8.120 8.120 7.732 0.388 25363 967 1 10 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.123 -0.033 25363 968 1 10 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.724 -0.324 25363 969 1 10 . 1 1 9 9 LYS H H 9 7.620 7.620 7.465 0.155 25363 970 1 10 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.510 0.230 25363 971 1 10 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.348 -0.848 25363 972 1 10 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.510 0.790 25363 973 1 10 . 1 1 10 10 VAL H H 10 7.960 7.960 7.835 0.125 25363 974 1 10 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.865 -0.195 25363 975 1 10 . 1 1 11 11 LYS H H 11 8.240 8.240 7.509 0.731 25363 976 1 10 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.094 -0.114 25363 977 1 10 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.804 0.396 25363 978 1 10 . 1 1 12 12 LYS H H 12 7.870 7.870 7.237 0.633 25363 979 1 10 . 1 1 13 13 SER HA H 13 4.250 4.250 4.242 0.008 25363 980 1 10 . 1 1 13 13 SER CA C 13 61.200 61.200 61.919 -0.718 25363 981 1 10 . 1 1 13 13 SER CB C 13 62.500 62.500 63.296 -0.796 25363 982 1 10 . 1 1 13 13 SER H H 13 7.980 7.980 7.580 0.400 25363 983 1 10 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.626 0.014 25363 984 1 10 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.234 -0.133 25363 985 1 10 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.314 -0.314 25363 986 1 10 . 1 1 14 14 VAL H H 14 8.460 8.460 8.459 0.001 25363 987 1 10 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.909 -0.079 25363 988 1 10 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.870 0.430 25363 989 1 10 . 1 1 15 15 LYS H H 15 8.330 8.330 7.570 0.760 25363 990 1 10 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.013 0.007 25363 991 1 10 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.340 -0.440 25363 992 1 10 . 1 1 16 16 LYS H H 16 7.760 7.760 7.681 0.079 25363 993 1 10 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.117 0.093 25363 994 1 10 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.201 -0.901 25363 995 1 10 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.760 -0.160 25363 996 1 10 . 1 1 17 17 ARG H H 17 7.730 7.730 7.655 0.075 25363 997 1 10 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.077 0.083 25363 998 1 10 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.898 -1.098 25363 999 1 10 . 1 1 18 18 LEU H H 18 8.390 8.390 8.143 0.247 25363 1000 1 10 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.002 0.068 25363 1001 1 10 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.303 -0.803 25363 1002 1 10 . 1 1 19 19 LYS H H 19 7.930 7.930 7.878 0.052 25363 1003 1 10 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.201 -0.041 25363 1004 1 10 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.153 -0.753 25363 1005 1 10 . 1 1 20 20 LYS H H 20 7.450 7.450 7.596 -0.146 25363 1006 1 10 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.771 0.119 25363 1007 1 10 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.809 -1.209 25363 1008 1 10 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.264 0.036 25363 1009 1 10 . 1 1 21 21 ILE H H 21 7.600 7.600 7.312 0.288 25363 1010 1 10 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.538 0.092 25363 1011 1 10 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.501 -0.101 25363 1012 1 10 . 1 1 22 22 PHE H H 22 7.940 7.940 7.928 0.012 25363 1013 1 10 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.406 -0.126 25363 1014 1 10 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.375 0.025 25363 1015 1 10 . 1 1 23 23 LYS H H 23 7.820 7.820 8.027 -0.207 25363 1016 1 10 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.734 -0.114 25363 1017 1 10 . 1 1 24 24 LYS CA C 24 53.700 53.700 53.430 0.270 25363 1018 1 10 . 1 1 24 24 LYS H H 24 8.030 8.030 7.564 0.466 25363 1019 1 10 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.368 0.042 25363 1020 1 10 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.799 -1.799 25363 1021 1 10 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.105 -0.904 25363 1022 1 10 . 1 1 26 26 MET HA H 26 4.500 4.500 4.301 0.200 25363 1023 1 10 . 1 1 26 26 MET CA C 26 55.100 55.100 56.619 -1.519 25363 1024 1 10 . 1 1 26 26 MET CB C 26 33.100 33.100 32.718 0.383 25363 1025 1 10 . 1 1 26 26 MET H H 26 8.420 8.420 7.738 0.682 25363 1026 1 10 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.037 0.123 25363 1027 1 10 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.383 -1.784 25363 1028 1 10 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.611 -0.311 25363 1029 1 10 . 1 1 27 27 VAL H H 27 8.210 8.210 7.821 0.389 25363 1030 1 10 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.363 -0.213 25363 1031 1 10 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.826 -0.026 25363 1032 1 10 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.145 -0.945 25363 1033 1 10 . 1 1 28 28 ILE H H 28 8.290 8.290 8.309 -0.019 25363 1034 1 10 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.819 0.281 25363 1035 1 10 . 1 1 29 29 GLY H H 29 8.560 8.560 8.724 -0.164 25363 1036 1 10 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.377 -0.107 25363 1037 1 10 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.999 -0.099 25363 1038 1 10 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.892 -0.992 25363 1039 1 10 . 1 1 30 30 VAL H H 30 7.660 7.660 7.550 0.110 25363 1040 1 10 . 1 1 31 31 THR HA H 31 4.350 4.350 4.470 -0.120 25363 1041 1 10 . 1 1 31 31 THR CA C 31 61.300 61.300 61.520 -0.220 25363 1042 1 10 . 1 1 31 31 THR CB C 31 69.000 69.000 70.020 -1.020 25363 1043 1 10 . 1 1 31 31 THR H H 31 8.260 8.260 8.115 0.145 25363 1044 1 10 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.104 0.216 25363 1045 1 10 . 1 1 32 32 ILE CA C 32 57.800 57.800 60.045 -2.245 25363 1046 1 10 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.758 -1.058 25363 1047 1 10 . 1 1 32 32 ILE H H 32 8.310 8.310 8.431 -0.121 25363 1048 1 10 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.259 0.211 25363 1049 1 10 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.712 -0.812 25363 1050 1 10 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.507 -1.107 25363 1051 1 11 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.463 -0.143 25363 1052 1 11 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.343 -0.743 25363 1053 1 11 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.451 -0.152 25363 1054 1 11 . 1 1 2 2 ARG H H 2 8.960 8.960 8.597 0.363 25363 1055 1 11 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.638 -0.138 25363 1056 1 11 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.597 -0.097 25363 1057 1 11 . 1 1 3 3 PHE H H 3 8.640 8.640 8.033 0.607 25363 1058 1 11 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.671 0.309 25363 1059 1 11 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.736 -0.136 25363 1060 1 11 . 1 1 4 4 LYS H H 4 8.270 8.270 7.701 0.569 25363 1061 1 11 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.096 -0.046 25363 1062 1 11 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.895 -0.095 25363 1063 1 11 . 1 1 5 5 LYS H H 5 8.230 8.230 7.521 0.709 25363 1064 1 11 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.258 0.092 25363 1065 1 11 . 1 1 6 6 PHE H H 6 8.040 8.040 7.842 0.198 25363 1066 1 11 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.768 0.362 25363 1067 1 11 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.134 -0.834 25363 1068 1 11 . 1 1 7 7 PHE H H 7 8.590 8.590 8.381 0.209 25363 1069 1 11 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.628 0.222 25363 1070 1 11 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.564 0.836 25363 1071 1 11 . 1 1 8 8 LYS H H 8 8.120 8.120 7.693 0.427 25363 1072 1 11 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.106 -0.016 25363 1073 1 11 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.493 -0.093 25363 1074 1 11 . 1 1 9 9 LYS H H 9 7.620 7.620 7.442 0.178 25363 1075 1 11 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.472 0.268 25363 1076 1 11 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.335 -1.835 25363 1077 1 11 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.821 0.479 25363 1078 1 11 . 1 1 10 10 VAL H H 10 7.960 7.960 8.040 -0.080 25363 1079 1 11 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.891 -0.221 25363 1080 1 11 . 1 1 11 11 LYS H H 11 8.240 8.240 7.486 0.754 25363 1081 1 11 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.138 -0.158 25363 1082 1 11 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.628 0.572 25363 1083 1 11 . 1 1 12 12 LYS H H 12 7.870 7.870 7.455 0.415 25363 1084 1 11 . 1 1 13 13 SER HA H 13 4.250 4.250 4.242 0.008 25363 1085 1 11 . 1 1 13 13 SER CA C 13 61.200 61.200 61.854 -0.654 25363 1086 1 11 . 1 1 13 13 SER CB C 13 62.500 62.500 63.223 -0.723 25363 1087 1 11 . 1 1 13 13 SER H H 13 7.980 7.980 7.526 0.454 25363 1088 1 11 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.599 0.041 25363 1089 1 11 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.187 -0.087 25363 1090 1 11 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.479 -0.479 25363 1091 1 11 . 1 1 14 14 VAL H H 14 8.460 8.460 8.476 -0.016 25363 1092 1 11 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.930 -0.100 25363 1093 1 11 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.729 0.571 25363 1094 1 11 . 1 1 15 15 LYS H H 15 8.330 8.330 7.575 0.755 25363 1095 1 11 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.034 -0.014 25363 1096 1 11 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.480 -0.580 25363 1097 1 11 . 1 1 16 16 LYS H H 16 7.760 7.760 7.632 0.128 25363 1098 1 11 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.152 0.058 25363 1099 1 11 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.659 -1.359 25363 1100 1 11 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.804 -0.204 25363 1101 1 11 . 1 1 17 17 ARG H H 17 7.730 7.730 7.751 -0.021 25363 1102 1 11 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.056 0.104 25363 1103 1 11 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.774 -0.974 25363 1104 1 11 . 1 1 18 18 LEU H H 18 8.390 8.390 7.965 0.425 25363 1105 1 11 . 1 1 19 19 LYS HA H 19 4.070 4.070 3.975 0.095 25363 1106 1 11 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.516 -1.016 25363 1107 1 11 . 1 1 19 19 LYS H H 19 7.930 7.930 7.964 -0.034 25363 1108 1 11 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.192 -0.033 25363 1109 1 11 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.387 -0.987 25363 1110 1 11 . 1 1 20 20 LYS H H 20 7.450 7.450 7.492 -0.042 25363 1111 1 11 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.816 0.074 25363 1112 1 11 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.668 -1.068 25363 1113 1 11 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.232 0.068 25363 1114 1 11 . 1 1 21 21 ILE H H 21 7.600 7.600 7.350 0.250 25363 1115 1 11 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.516 0.114 25363 1116 1 11 . 1 1 22 22 PHE CA C 22 57.400 57.400 58.154 -0.753 25363 1117 1 11 . 1 1 22 22 PHE H H 22 7.940 7.940 8.205 -0.265 25363 1118 1 11 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.379 -0.099 25363 1119 1 11 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.707 -0.307 25363 1120 1 11 . 1 1 23 23 LYS H H 23 7.820 7.820 7.626 0.194 25363 1121 1 11 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.368 0.252 25363 1122 1 11 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.779 -2.079 25363 1123 1 11 . 1 1 24 24 LYS H H 24 8.030 8.030 7.691 0.339 25363 1124 1 11 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.386 0.024 25363 1125 1 11 . 1 1 25 25 PRO CA C 25 63.000 63.000 64.649 -1.649 25363 1126 1 11 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.088 -0.888 25363 1127 1 11 . 1 1 26 26 MET HA H 26 4.500 4.500 4.297 0.203 25363 1128 1 11 . 1 1 26 26 MET CA C 26 55.100 55.100 56.936 -1.836 25363 1129 1 11 . 1 1 26 26 MET CB C 26 33.100 33.100 32.333 0.767 25363 1130 1 11 . 1 1 26 26 MET H H 26 8.420 8.420 7.743 0.677 25363 1131 1 11 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.065 0.095 25363 1132 1 11 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.991 -1.391 25363 1133 1 11 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.589 -0.289 25363 1134 1 11 . 1 1 27 27 VAL H H 27 8.210 8.210 7.714 0.496 25363 1135 1 11 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.401 -0.251 25363 1136 1 11 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.092 -0.292 25363 1137 1 11 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.652 -1.452 25363 1138 1 11 . 1 1 28 28 ILE H H 28 8.290 8.290 8.311 -0.021 25363 1139 1 11 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.833 0.267 25363 1140 1 11 . 1 1 29 29 GLY H H 29 8.560 8.560 8.784 -0.224 25363 1141 1 11 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.439 -0.169 25363 1142 1 11 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.950 -0.050 25363 1143 1 11 . 1 1 30 30 VAL CB C 30 32.900 32.900 32.877 0.023 25363 1144 1 11 . 1 1 30 30 VAL H H 30 7.660 7.660 7.561 0.099 25363 1145 1 11 . 1 1 31 31 THR HA H 31 4.350 4.350 4.605 -0.255 25363 1146 1 11 . 1 1 31 31 THR CA C 31 61.300 61.300 61.059 0.241 25363 1147 1 11 . 1 1 31 31 THR CB C 31 69.000 69.000 70.720 -1.720 25363 1148 1 11 . 1 1 31 31 THR H H 31 8.260 8.260 8.049 0.211 25363 1149 1 11 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.310 0.010 25363 1150 1 11 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.555 -1.755 25363 1151 1 11 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.854 -1.154 25363 1152 1 11 . 1 1 32 32 ILE H H 32 8.310 8.310 8.719 -0.409 25363 1153 1 11 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.363 0.107 25363 1154 1 11 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.851 -0.951 25363 1155 1 11 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.702 -1.302 25363 1156 1 12 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.483 -0.163 25363 1157 1 12 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.495 -0.895 25363 1158 1 12 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.269 0.031 25363 1159 1 12 . 1 1 2 2 ARG H H 2 8.960 8.960 8.450 0.510 25363 1160 1 12 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.625 -0.125 25363 1161 1 12 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.878 -0.378 25363 1162 1 12 . 1 1 3 3 PHE H H 3 8.640 8.640 8.109 0.531 25363 1163 1 12 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.699 0.281 25363 1164 1 12 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.395 0.205 25363 1165 1 12 . 1 1 4 4 LYS H H 4 8.270 8.270 7.765 0.505 25363 1166 1 12 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.110 -0.060 25363 1167 1 12 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.673 0.127 25363 1168 1 12 . 1 1 5 5 LYS H H 5 8.230 8.230 7.557 0.673 25363 1169 1 12 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.257 0.093 25363 1170 1 12 . 1 1 6 6 PHE H H 6 8.040 8.040 7.844 0.196 25363 1171 1 12 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.772 0.358 25363 1172 1 12 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.191 -0.891 25363 1173 1 12 . 1 1 7 7 PHE H H 7 8.590 8.590 8.359 0.231 25363 1174 1 12 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.684 0.166 25363 1175 1 12 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.063 1.337 25363 1176 1 12 . 1 1 8 8 LYS H H 8 8.120 8.120 7.715 0.405 25363 1177 1 12 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.129 -0.039 25363 1178 1 12 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.596 -0.196 25363 1179 1 12 . 1 1 9 9 LYS H H 9 7.620 7.620 7.517 0.103 25363 1180 1 12 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.487 0.253 25363 1181 1 12 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.476 -1.976 25363 1182 1 12 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.816 0.484 25363 1183 1 12 . 1 1 10 10 VAL H H 10 7.960 7.960 7.997 -0.037 25363 1184 1 12 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.949 -0.279 25363 1185 1 12 . 1 1 11 11 LYS H H 11 8.240 8.240 7.424 0.816 25363 1186 1 12 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.115 -0.135 25363 1187 1 12 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.054 0.145 25363 1188 1 12 . 1 1 12 12 LYS H H 12 7.870 7.870 7.247 0.623 25363 1189 1 12 . 1 1 13 13 SER HA H 13 4.250 4.250 4.241 0.009 25363 1190 1 12 . 1 1 13 13 SER CA C 13 61.200 61.200 61.854 -0.654 25363 1191 1 12 . 1 1 13 13 SER CB C 13 62.500 62.500 63.148 -0.648 25363 1192 1 12 . 1 1 13 13 SER H H 13 7.980 7.980 7.659 0.321 25363 1193 1 12 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.655 -0.015 25363 1194 1 12 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.125 -0.025 25363 1195 1 12 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.005 -0.004 25363 1196 1 12 . 1 1 14 14 VAL H H 14 8.460 8.460 8.429 0.031 25363 1197 1 12 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.945 -0.115 25363 1198 1 12 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.799 0.501 25363 1199 1 12 . 1 1 15 15 LYS H H 15 8.330 8.330 7.640 0.690 25363 1200 1 12 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.069 -0.049 25363 1201 1 12 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.077 -0.177 25363 1202 1 12 . 1 1 16 16 LYS H H 16 7.760 7.760 7.727 0.033 25363 1203 1 12 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.139 0.071 25363 1204 1 12 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.602 -1.302 25363 1205 1 12 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.932 -0.332 25363 1206 1 12 . 1 1 17 17 ARG H H 17 7.730 7.730 7.649 0.081 25363 1207 1 12 . 1 1 18 18 LEU HA H 18 4.160 4.160 3.980 0.180 25363 1208 1 12 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.926 -1.126 25363 1209 1 12 . 1 1 18 18 LEU H H 18 8.390 8.390 8.129 0.261 25363 1210 1 12 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.029 0.041 25363 1211 1 12 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.430 -0.930 25363 1212 1 12 . 1 1 19 19 LYS H H 19 7.930 7.930 7.714 0.216 25363 1213 1 12 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.170 -0.010 25363 1214 1 12 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.423 -1.024 25363 1215 1 12 . 1 1 20 20 LYS H H 20 7.450 7.450 7.593 -0.143 25363 1216 1 12 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.768 0.122 25363 1217 1 12 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.559 -0.959 25363 1218 1 12 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.232 0.068 25363 1219 1 12 . 1 1 21 21 ILE H H 21 7.600 7.600 7.385 0.215 25363 1220 1 12 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.594 0.036 25363 1221 1 12 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.509 -0.109 25363 1222 1 12 . 1 1 22 22 PHE H H 22 7.940 7.940 7.911 0.029 25363 1223 1 12 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.349 -0.069 25363 1224 1 12 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.778 -0.378 25363 1225 1 12 . 1 1 23 23 LYS H H 23 7.820 7.820 7.787 0.033 25363 1226 1 12 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.275 0.345 25363 1227 1 12 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.117 -1.417 25363 1228 1 12 . 1 1 24 24 LYS H H 24 8.030 8.030 8.028 0.002 25363 1229 1 12 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.493 -0.083 25363 1230 1 12 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.464 -0.464 25363 1231 1 12 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.103 0.097 25363 1232 1 12 . 1 1 26 26 MET HA H 26 4.500 4.500 4.511 -0.011 25363 1233 1 12 . 1 1 26 26 MET CA C 26 55.100 55.100 55.911 -0.811 25363 1234 1 12 . 1 1 26 26 MET CB C 26 33.100 33.100 33.394 -0.294 25363 1235 1 12 . 1 1 26 26 MET H H 26 8.420 8.420 8.486 -0.066 25363 1236 1 12 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.146 0.014 25363 1237 1 12 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.670 -1.070 25363 1238 1 12 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.038 0.262 25363 1239 1 12 . 1 1 27 27 VAL H H 27 8.210 8.210 8.024 0.186 25363 1240 1 12 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.289 -0.139 25363 1241 1 12 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.167 -0.367 25363 1242 1 12 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.104 -0.904 25363 1243 1 12 . 1 1 28 28 ILE H H 28 8.290 8.290 8.224 0.066 25363 1244 1 12 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.778 0.322 25363 1245 1 12 . 1 1 29 29 GLY H H 29 8.560 8.560 8.818 -0.258 25363 1246 1 12 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.454 -0.184 25363 1247 1 12 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.081 -0.181 25363 1248 1 12 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.317 -0.417 25363 1249 1 12 . 1 1 30 30 VAL H H 30 7.660 7.660 7.648 0.012 25363 1250 1 12 . 1 1 31 31 THR HA H 31 4.350 4.350 4.540 -0.190 25363 1251 1 12 . 1 1 31 31 THR CA C 31 61.300 61.300 61.205 0.095 25363 1252 1 12 . 1 1 31 31 THR CB C 31 69.000 69.000 70.057 -1.057 25363 1253 1 12 . 1 1 31 31 THR H H 31 8.260 8.260 8.093 0.167 25363 1254 1 12 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.251 0.069 25363 1255 1 12 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.845 -2.045 25363 1256 1 12 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.391 -0.691 25363 1257 1 12 . 1 1 32 32 ILE H H 32 8.310 8.310 8.487 -0.177 25363 1258 1 12 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.385 0.085 25363 1259 1 12 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.663 -0.763 25363 1260 1 12 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.871 -1.471 25363 1261 1 13 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.361 -0.041 25363 1262 1 13 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.800 -1.200 25363 1263 1 13 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.245 0.055 25363 1264 1 13 . 1 1 2 2 ARG H H 2 8.960 8.960 8.458 0.502 25363 1265 1 13 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.625 -0.125 25363 1266 1 13 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.827 -0.327 25363 1267 1 13 . 1 1 3 3 PHE H H 3 8.640 8.640 8.089 0.551 25363 1268 1 13 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.651 0.329 25363 1269 1 13 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.616 -0.016 25363 1270 1 13 . 1 1 4 4 LYS H H 4 8.270 8.270 7.697 0.573 25363 1271 1 13 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.103 -0.053 25363 1272 1 13 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.893 -0.093 25363 1273 1 13 . 1 1 5 5 LYS H H 5 8.230 8.230 7.525 0.705 25363 1274 1 13 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.261 0.089 25363 1275 1 13 . 1 1 6 6 PHE H H 6 8.040 8.040 7.846 0.194 25363 1276 1 13 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.721 0.409 25363 1277 1 13 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.456 -1.157 25363 1278 1 13 . 1 1 7 7 PHE H H 7 8.590 8.590 8.328 0.262 25363 1279 1 13 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.635 0.215 25363 1280 1 13 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.946 0.454 25363 1281 1 13 . 1 1 8 8 LYS H H 8 8.120 8.120 7.718 0.402 25363 1282 1 13 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.126 -0.036 25363 1283 1 13 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.635 -0.235 25363 1284 1 13 . 1 1 9 9 LYS H H 9 7.620 7.620 7.342 0.278 25363 1285 1 13 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.498 0.242 25363 1286 1 13 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.100 -0.600 25363 1287 1 13 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.405 0.895 25363 1288 1 13 . 1 1 10 10 VAL H H 10 7.960 7.960 7.881 0.079 25363 1289 1 13 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.820 -0.150 25363 1290 1 13 . 1 1 11 11 LYS H H 11 8.240 8.240 7.533 0.707 25363 1291 1 13 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.115 -0.135 25363 1292 1 13 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.756 0.444 25363 1293 1 13 . 1 1 12 12 LYS H H 12 7.870 7.870 7.431 0.439 25363 1294 1 13 . 1 1 13 13 SER HA H 13 4.250 4.250 4.235 0.015 25363 1295 1 13 . 1 1 13 13 SER CA C 13 61.200 61.200 61.718 -0.517 25363 1296 1 13 . 1 1 13 13 SER CB C 13 62.500 62.500 63.215 -0.716 25363 1297 1 13 . 1 1 13 13 SER H H 13 7.980 7.980 7.523 0.457 25363 1298 1 13 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.592 0.048 25363 1299 1 13 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.256 -0.156 25363 1300 1 13 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.464 -0.464 25363 1301 1 13 . 1 1 14 14 VAL H H 14 8.460 8.460 8.494 -0.034 25363 1302 1 13 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.944 -0.114 25363 1303 1 13 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.652 0.648 25363 1304 1 13 . 1 1 15 15 LYS H H 15 8.330 8.330 7.588 0.742 25363 1305 1 13 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.095 -0.075 25363 1306 1 13 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.969 -0.069 25363 1307 1 13 . 1 1 16 16 LYS H H 16 7.760 7.760 7.630 0.130 25363 1308 1 13 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.137 0.073 25363 1309 1 13 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.184 -0.885 25363 1310 1 13 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.942 -0.342 25363 1311 1 13 . 1 1 17 17 ARG H H 17 7.730 7.730 7.592 0.138 25363 1312 1 13 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.035 0.125 25363 1313 1 13 . 1 1 18 18 LEU CA C 18 56.800 56.800 58.013 -1.213 25363 1314 1 13 . 1 1 18 18 LEU H H 18 8.390 8.390 8.359 0.031 25363 1315 1 13 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.009 0.061 25363 1316 1 13 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.331 -0.831 25363 1317 1 13 . 1 1 19 19 LYS H H 19 7.930 7.930 7.622 0.308 25363 1318 1 13 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.204 -0.044 25363 1319 1 13 . 1 1 20 20 LYS CA C 20 57.400 57.400 57.746 -0.346 25363 1320 1 13 . 1 1 20 20 LYS H H 20 7.450 7.450 7.746 -0.296 25363 1321 1 13 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.772 0.118 25363 1322 1 13 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.806 -1.206 25363 1323 1 13 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.256 0.044 25363 1324 1 13 . 1 1 21 21 ILE H H 21 7.600 7.600 7.459 0.141 25363 1325 1 13 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.617 0.013 25363 1326 1 13 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.297 0.103 25363 1327 1 13 . 1 1 22 22 PHE H H 22 7.940 7.940 7.983 -0.043 25363 1328 1 13 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.322 -0.042 25363 1329 1 13 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.455 -1.054 25363 1330 1 13 . 1 1 23 23 LYS H H 23 7.820 7.820 7.977 -0.157 25363 1331 1 13 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.600 0.020 25363 1332 1 13 . 1 1 24 24 LYS CA C 24 53.700 53.700 53.789 -0.089 25363 1333 1 13 . 1 1 24 24 LYS H H 24 8.030 8.030 8.030 0.000 25363 1334 1 13 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.580 -0.170 25363 1335 1 13 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.553 -0.553 25363 1336 1 13 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.167 0.033 25363 1337 1 13 . 1 1 26 26 MET HA H 26 4.500 4.500 4.401 0.099 25363 1338 1 13 . 1 1 26 26 MET CA C 26 55.100 55.100 56.436 -1.336 25363 1339 1 13 . 1 1 26 26 MET CB C 26 33.100 33.100 32.965 0.135 25363 1340 1 13 . 1 1 26 26 MET H H 26 8.420 8.420 8.364 0.056 25363 1341 1 13 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.064 0.096 25363 1342 1 13 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.022 -1.422 25363 1343 1 13 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.161 0.139 25363 1344 1 13 . 1 1 27 27 VAL H H 27 8.210 8.210 8.031 0.179 25363 1345 1 13 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.323 -0.173 25363 1346 1 13 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.005 -0.205 25363 1347 1 13 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.163 -0.963 25363 1348 1 13 . 1 1 28 28 ILE H H 28 8.290 8.290 8.274 0.016 25363 1349 1 13 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.697 0.403 25363 1350 1 13 . 1 1 29 29 GLY H H 29 8.560 8.560 8.769 -0.209 25363 1351 1 13 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.434 -0.164 25363 1352 1 13 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.878 0.022 25363 1353 1 13 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.309 -0.409 25363 1354 1 13 . 1 1 30 30 VAL H H 30 7.660 7.660 7.593 0.067 25363 1355 1 13 . 1 1 31 31 THR HA H 31 4.350 4.350 4.305 0.045 25363 1356 1 13 . 1 1 31 31 THR CA C 31 61.300 61.300 62.459 -1.159 25363 1357 1 13 . 1 1 31 31 THR CB C 31 69.000 69.000 69.568 -0.568 25363 1358 1 13 . 1 1 31 31 THR H H 31 8.260 8.260 8.309 -0.049 25363 1359 1 13 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.233 0.087 25363 1360 1 13 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.728 -1.928 25363 1361 1 13 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.134 -1.434 25363 1362 1 13 . 1 1 32 32 ILE H H 32 8.310 8.310 8.544 -0.234 25363 1363 1 13 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.360 0.110 25363 1364 1 13 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.878 -0.978 25363 1365 1 13 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.735 -1.335 25363 1366 1 14 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.365 -0.045 25363 1367 1 14 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.532 -0.933 25363 1368 1 14 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.459 -0.159 25363 1369 1 14 . 1 1 2 2 ARG H H 2 8.960 8.960 8.435 0.525 25363 1370 1 14 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.557 -0.057 25363 1371 1 14 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.959 -0.459 25363 1372 1 14 . 1 1 3 3 PHE H H 3 8.640 8.640 8.138 0.502 25363 1373 1 14 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.666 0.314 25363 1374 1 14 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.548 0.052 25363 1375 1 14 . 1 1 4 4 LYS H H 4 8.270 8.270 7.652 0.618 25363 1376 1 14 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.110 -0.060 25363 1377 1 14 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.848 -0.048 25363 1378 1 14 . 1 1 5 5 LYS H H 5 8.230 8.230 7.621 0.609 25363 1379 1 14 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.243 0.107 25363 1380 1 14 . 1 1 6 6 PHE H H 6 8.040 8.040 7.832 0.208 25363 1381 1 14 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.739 0.391 25363 1382 1 14 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.021 -0.721 25363 1383 1 14 . 1 1 7 7 PHE H H 7 8.590 8.590 8.373 0.217 25363 1384 1 14 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.624 0.226 25363 1385 1 14 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.869 0.531 25363 1386 1 14 . 1 1 8 8 LYS H H 8 8.120 8.120 7.753 0.367 25363 1387 1 14 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.107 -0.017 25363 1388 1 14 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.506 -0.106 25363 1389 1 14 . 1 1 9 9 LYS H H 9 7.620 7.620 7.470 0.150 25363 1390 1 14 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.415 0.325 25363 1391 1 14 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.511 -2.011 25363 1392 1 14 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.265 0.035 25363 1393 1 14 . 1 1 10 10 VAL H H 10 7.960 7.960 7.896 0.064 25363 1394 1 14 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.900 -0.230 25363 1395 1 14 . 1 1 11 11 LYS H H 11 8.240 8.240 7.689 0.551 25363 1396 1 14 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.072 -0.092 25363 1397 1 14 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.138 0.062 25363 1398 1 14 . 1 1 12 12 LYS H H 12 7.870 7.870 7.291 0.579 25363 1399 1 14 . 1 1 13 13 SER HA H 13 4.250 4.250 4.237 0.013 25363 1400 1 14 . 1 1 13 13 SER CA C 13 61.200 61.200 61.993 -0.793 25363 1401 1 14 . 1 1 13 13 SER CB C 13 62.500 62.500 63.247 -0.747 25363 1402 1 14 . 1 1 13 13 SER H H 13 7.980 7.980 7.621 0.359 25363 1403 1 14 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.630 0.010 25363 1404 1 14 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.240 -0.140 25363 1405 1 14 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.329 -0.329 25363 1406 1 14 . 1 1 14 14 VAL H H 14 8.460 8.460 8.360 0.100 25363 1407 1 14 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.901 -0.071 25363 1408 1 14 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.728 0.572 25363 1409 1 14 . 1 1 15 15 LYS H H 15 8.330 8.330 7.631 0.699 25363 1410 1 14 . 1 1 16 16 LYS HA H 16 4.020 4.020 3.979 0.041 25363 1411 1 14 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.466 -0.566 25363 1412 1 14 . 1 1 16 16 LYS H H 16 7.760 7.760 7.823 -0.063 25363 1413 1 14 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.106 0.104 25363 1414 1 14 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.572 -1.272 25363 1415 1 14 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.752 -0.151 25363 1416 1 14 . 1 1 17 17 ARG H H 17 7.730 7.730 7.650 0.080 25363 1417 1 14 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.031 0.129 25363 1418 1 14 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.668 -0.868 25363 1419 1 14 . 1 1 18 18 LEU H H 18 8.390 8.390 7.844 0.546 25363 1420 1 14 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.017 0.053 25363 1421 1 14 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.396 -0.896 25363 1422 1 14 . 1 1 19 19 LYS H H 19 7.930 7.930 8.175 -0.245 25363 1423 1 14 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.179 -0.019 25363 1424 1 14 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.093 -0.693 25363 1425 1 14 . 1 1 20 20 LYS H H 20 7.450 7.450 7.508 -0.058 25363 1426 1 14 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.790 0.100 25363 1427 1 14 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.791 -1.191 25363 1428 1 14 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.259 0.041 25363 1429 1 14 . 1 1 21 21 ILE H H 21 7.600 7.600 7.603 -0.003 25363 1430 1 14 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.584 0.046 25363 1431 1 14 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.764 -0.364 25363 1432 1 14 . 1 1 22 22 PHE H H 22 7.940 7.940 7.921 0.019 25363 1433 1 14 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.340 -0.060 25363 1434 1 14 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.744 -0.344 25363 1435 1 14 . 1 1 23 23 LYS H H 23 7.820 7.820 7.693 0.127 25363 1436 1 14 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.272 0.348 25363 1437 1 14 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.206 -1.506 25363 1438 1 14 . 1 1 24 24 LYS H H 24 8.030 8.030 7.924 0.106 25363 1439 1 14 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.508 -0.098 25363 1440 1 14 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.080 -0.080 25363 1441 1 14 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.928 -0.728 25363 1442 1 14 . 1 1 26 26 MET HA H 26 4.500 4.500 4.319 0.181 25363 1443 1 14 . 1 1 26 26 MET CA C 26 55.100 55.100 57.097 -1.997 25363 1444 1 14 . 1 1 26 26 MET CB C 26 33.100 33.100 32.996 0.104 25363 1445 1 14 . 1 1 26 26 MET H H 26 8.420 8.420 8.606 -0.186 25363 1446 1 14 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.074 0.086 25363 1447 1 14 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.640 -1.040 25363 1448 1 14 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.066 0.234 25363 1449 1 14 . 1 1 27 27 VAL H H 27 8.210 8.210 7.937 0.273 25363 1450 1 14 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.288 -0.138 25363 1451 1 14 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.520 0.280 25363 1452 1 14 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.930 -0.730 25363 1453 1 14 . 1 1 28 28 ILE H H 28 8.290 8.290 8.268 0.022 25363 1454 1 14 . 1 1 29 29 GLY CA C 29 45.100 45.100 45.061 0.039 25363 1455 1 14 . 1 1 29 29 GLY H H 29 8.560 8.560 8.705 -0.145 25363 1456 1 14 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.517 -0.247 25363 1457 1 14 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.715 0.185 25363 1458 1 14 . 1 1 30 30 VAL CB C 30 32.900 32.900 32.885 0.015 25363 1459 1 14 . 1 1 30 30 VAL H H 30 7.660 7.660 7.754 -0.094 25363 1460 1 14 . 1 1 31 31 THR HA H 31 4.350 4.350 4.541 -0.191 25363 1461 1 14 . 1 1 31 31 THR CA C 31 61.300 61.300 61.164 0.136 25363 1462 1 14 . 1 1 31 31 THR CB C 31 69.000 69.000 70.769 -1.769 25363 1463 1 14 . 1 1 31 31 THR H H 31 8.260 8.260 8.182 0.078 25363 1464 1 14 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.264 0.056 25363 1465 1 14 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.690 -1.890 25363 1466 1 14 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.113 -1.413 25363 1467 1 14 . 1 1 32 32 ILE H H 32 8.310 8.310 8.374 -0.064 25363 1468 1 14 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.576 -0.106 25363 1469 1 14 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.404 -0.504 25363 1470 1 14 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.615 -0.215 25363 1471 1 15 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.402 -0.082 25363 1472 1 15 . 1 1 2 2 ARG CA C 2 56.600 56.600 55.697 0.903 25363 1473 1 15 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.324 -0.024 25363 1474 1 15 . 1 1 2 2 ARG H H 2 8.960 8.960 8.535 0.425 25363 1475 1 15 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.481 0.019 25363 1476 1 15 . 1 1 3 3 PHE CA C 3 59.500 59.500 58.846 0.654 25363 1477 1 15 . 1 1 3 3 PHE H H 3 8.640 8.640 8.100 0.540 25363 1478 1 15 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.608 0.372 25363 1479 1 15 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.212 0.389 25363 1480 1 15 . 1 1 4 4 LYS H H 4 8.270 8.270 7.462 0.808 25363 1481 1 15 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.092 -0.042 25363 1482 1 15 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.967 -0.167 25363 1483 1 15 . 1 1 5 5 LYS H H 5 8.230 8.230 7.526 0.704 25363 1484 1 15 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.274 0.076 25363 1485 1 15 . 1 1 6 6 PHE H H 6 8.040 8.040 7.858 0.182 25363 1486 1 15 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.756 0.374 25363 1487 1 15 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.244 -0.944 25363 1488 1 15 . 1 1 7 7 PHE H H 7 8.590 8.590 8.338 0.252 25363 1489 1 15 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.687 0.163 25363 1490 1 15 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.498 0.902 25363 1491 1 15 . 1 1 8 8 LYS H H 8 8.120 8.120 7.727 0.393 25363 1492 1 15 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.122 -0.032 25363 1493 1 15 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.768 -0.368 25363 1494 1 15 . 1 1 9 9 LYS H H 9 7.620 7.620 7.492 0.128 25363 1495 1 15 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.498 0.242 25363 1496 1 15 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.163 -0.663 25363 1497 1 15 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.468 0.832 25363 1498 1 15 . 1 1 10 10 VAL H H 10 7.960 7.960 7.883 0.077 25363 1499 1 15 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.852 -0.182 25363 1500 1 15 . 1 1 11 11 LYS H H 11 8.240 8.240 7.466 0.774 25363 1501 1 15 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.093 -0.113 25363 1502 1 15 . 1 1 12 12 LYS CA C 12 59.200 59.200 59.057 0.143 25363 1503 1 15 . 1 1 12 12 LYS H H 12 7.870 7.870 7.400 0.470 25363 1504 1 15 . 1 1 13 13 SER HA H 13 4.250 4.250 4.267 -0.017 25363 1505 1 15 . 1 1 13 13 SER CA C 13 61.200 61.200 61.614 -0.414 25363 1506 1 15 . 1 1 13 13 SER CB C 13 62.500 62.500 63.009 -0.509 25363 1507 1 15 . 1 1 13 13 SER H H 13 7.980 7.980 7.557 0.423 25363 1508 1 15 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.645 -0.005 25363 1509 1 15 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.131 -0.031 25363 1510 1 15 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.450 -0.449 25363 1511 1 15 . 1 1 14 14 VAL H H 14 8.460 8.460 8.432 0.028 25363 1512 1 15 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.911 -0.081 25363 1513 1 15 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.810 0.489 25363 1514 1 15 . 1 1 15 15 LYS H H 15 8.330 8.330 7.557 0.773 25363 1515 1 15 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.061 -0.041 25363 1516 1 15 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.095 -0.195 25363 1517 1 15 . 1 1 16 16 LYS H H 16 7.760 7.760 7.592 0.168 25363 1518 1 15 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.157 0.053 25363 1519 1 15 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.399 -1.099 25363 1520 1 15 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.818 -0.218 25363 1521 1 15 . 1 1 17 17 ARG H H 17 7.730 7.730 7.407 0.323 25363 1522 1 15 . 1 1 18 18 LEU HA H 18 4.160 4.160 3.970 0.190 25363 1523 1 15 . 1 1 18 18 LEU CA C 18 56.800 56.800 58.071 -1.271 25363 1524 1 15 . 1 1 18 18 LEU H H 18 8.390 8.390 8.324 0.066 25363 1525 1 15 . 1 1 19 19 LYS HA H 19 4.070 4.070 3.982 0.088 25363 1526 1 15 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.530 -1.030 25363 1527 1 15 . 1 1 19 19 LYS H H 19 7.930 7.930 7.625 0.305 25363 1528 1 15 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.171 -0.011 25363 1529 1 15 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.438 -1.038 25363 1530 1 15 . 1 1 20 20 LYS H H 20 7.450 7.450 7.715 -0.265 25363 1531 1 15 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.719 0.171 25363 1532 1 15 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.693 -1.093 25363 1533 1 15 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.234 0.066 25363 1534 1 15 . 1 1 21 21 ILE H H 21 7.600 7.600 7.477 0.123 25363 1535 1 15 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.521 0.109 25363 1536 1 15 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.677 -0.277 25363 1537 1 15 . 1 1 22 22 PHE H H 22 7.940 7.940 7.951 -0.011 25363 1538 1 15 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.257 0.023 25363 1539 1 15 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.880 -0.480 25363 1540 1 15 . 1 1 23 23 LYS H H 23 7.820 7.820 7.720 0.100 25363 1541 1 15 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.240 0.380 25363 1542 1 15 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.497 -1.797 25363 1543 1 15 . 1 1 24 24 LYS H H 24 8.030 8.030 7.866 0.164 25363 1544 1 15 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.438 -0.028 25363 1545 1 15 . 1 1 25 25 PRO CA C 25 63.000 63.000 62.666 0.334 25363 1546 1 15 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.397 -1.196 25363 1547 1 15 . 1 1 26 26 MET HA H 26 4.500 4.500 4.391 0.109 25363 1548 1 15 . 1 1 26 26 MET CA C 26 55.100 55.100 56.811 -1.711 25363 1549 1 15 . 1 1 26 26 MET CB C 26 33.100 33.100 32.544 0.556 25363 1550 1 15 . 1 1 26 26 MET H H 26 8.420 8.420 8.285 0.135 25363 1551 1 15 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.050 0.111 25363 1552 1 15 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.524 -1.924 25363 1553 1 15 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.418 -0.118 25363 1554 1 15 . 1 1 27 27 VAL H H 27 8.210 8.210 7.763 0.447 25363 1555 1 15 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.302 -0.152 25363 1556 1 15 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.095 -0.295 25363 1557 1 15 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.839 -0.638 25363 1558 1 15 . 1 1 28 28 ILE H H 28 8.290 8.290 8.340 -0.050 25363 1559 1 15 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.833 0.267 25363 1560 1 15 . 1 1 29 29 GLY H H 29 8.560 8.560 8.787 -0.227 25363 1561 1 15 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.520 -0.250 25363 1562 1 15 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.244 -0.344 25363 1563 1 15 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.796 -0.896 25363 1564 1 15 . 1 1 30 30 VAL H H 30 7.660 7.660 7.635 0.025 25363 1565 1 15 . 1 1 31 31 THR HA H 31 4.350 4.350 4.548 -0.198 25363 1566 1 15 . 1 1 31 31 THR CA C 31 61.300 61.300 61.139 0.161 25363 1567 1 15 . 1 1 31 31 THR CB C 31 69.000 69.000 70.929 -1.929 25363 1568 1 15 . 1 1 31 31 THR H H 31 8.260 8.260 8.070 0.190 25363 1569 1 15 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.286 0.034 25363 1570 1 15 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.814 -2.014 25363 1571 1 15 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.090 -1.390 25363 1572 1 15 . 1 1 32 32 ILE H H 32 8.310 8.310 8.445 -0.135 25363 1573 1 15 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.568 -0.098 25363 1574 1 15 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.292 -0.392 25363 1575 1 15 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.784 -0.384 25363 1576 1 16 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.196 0.124 25363 1577 1 16 . 1 1 2 2 ARG CA C 2 56.600 56.600 58.318 -1.718 25363 1578 1 16 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.023 0.277 25363 1579 1 16 . 1 1 2 2 ARG H H 2 8.960 8.960 8.757 0.203 25363 1580 1 16 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.632 -0.132 25363 1581 1 16 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.309 0.191 25363 1582 1 16 . 1 1 3 3 PHE H H 3 8.640 8.640 8.050 0.590 25363 1583 1 16 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.649 0.331 25363 1584 1 16 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.543 0.057 25363 1585 1 16 . 1 1 4 4 LYS H H 4 8.270 8.270 7.075 1.195 25363 1586 1 16 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.091 -0.041 25363 1587 1 16 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.855 -0.055 25363 1588 1 16 . 1 1 5 5 LYS H H 5 8.230 8.230 7.530 0.700 25363 1589 1 16 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.266 0.084 25363 1590 1 16 . 1 1 6 6 PHE H H 6 8.040 8.040 7.850 0.190 25363 1591 1 16 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.742 0.388 25363 1592 1 16 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.069 -0.769 25363 1593 1 16 . 1 1 7 7 PHE H H 7 8.590 8.590 8.333 0.257 25363 1594 1 16 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.601 0.249 25363 1595 1 16 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.810 0.590 25363 1596 1 16 . 1 1 8 8 LYS H H 8 8.120 8.120 7.679 0.441 25363 1597 1 16 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.128 -0.038 25363 1598 1 16 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.285 0.115 25363 1599 1 16 . 1 1 9 9 LYS H H 9 7.620 7.620 7.449 0.171 25363 1600 1 16 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.404 0.336 25363 1601 1 16 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.401 -1.901 25363 1602 1 16 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.207 0.093 25363 1603 1 16 . 1 1 10 10 VAL H H 10 7.960 7.960 7.904 0.056 25363 1604 1 16 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.856 -0.186 25363 1605 1 16 . 1 1 11 11 LYS H H 11 8.240 8.240 7.557 0.683 25363 1606 1 16 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.106 -0.126 25363 1607 1 16 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.961 0.239 25363 1608 1 16 . 1 1 12 12 LYS H H 12 7.870 7.870 7.470 0.400 25363 1609 1 16 . 1 1 13 13 SER HA H 13 4.250 4.250 4.228 0.022 25363 1610 1 16 . 1 1 13 13 SER CA C 13 61.200 61.200 61.937 -0.737 25363 1611 1 16 . 1 1 13 13 SER CB C 13 62.500 62.500 63.250 -0.750 25363 1612 1 16 . 1 1 13 13 SER H H 13 7.980 7.980 7.575 0.405 25363 1613 1 16 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.605 0.035 25363 1614 1 16 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.347 -0.247 25363 1615 1 16 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.396 -0.396 25363 1616 1 16 . 1 1 14 14 VAL H H 14 8.460 8.460 8.540 -0.080 25363 1617 1 16 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.962 -0.132 25363 1618 1 16 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.550 0.750 25363 1619 1 16 . 1 1 15 15 LYS H H 15 8.330 8.330 7.586 0.744 25363 1620 1 16 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.154 -0.134 25363 1621 1 16 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.978 -0.078 25363 1622 1 16 . 1 1 16 16 LYS H H 16 7.760 7.760 7.586 0.174 25363 1623 1 16 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.138 0.072 25363 1624 1 16 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.427 -1.127 25363 1625 1 16 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.765 -0.165 25363 1626 1 16 . 1 1 17 17 ARG H H 17 7.730 7.730 7.371 0.359 25363 1627 1 16 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.047 0.113 25363 1628 1 16 . 1 1 18 18 LEU CA C 18 56.800 56.800 58.032 -1.232 25363 1629 1 16 . 1 1 18 18 LEU H H 18 8.390 8.390 8.511 -0.121 25363 1630 1 16 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.031 0.039 25363 1631 1 16 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.124 -0.625 25363 1632 1 16 . 1 1 19 19 LYS H H 19 7.930 7.930 7.534 0.396 25363 1633 1 16 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.183 -0.023 25363 1634 1 16 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.077 -0.677 25363 1635 1 16 . 1 1 20 20 LYS H H 20 7.450 7.450 7.753 -0.303 25363 1636 1 16 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.783 0.107 25363 1637 1 16 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.651 -1.051 25363 1638 1 16 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.240 0.060 25363 1639 1 16 . 1 1 21 21 ILE H H 21 7.600 7.600 7.550 0.050 25363 1640 1 16 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.605 0.025 25363 1641 1 16 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.457 -0.057 25363 1642 1 16 . 1 1 22 22 PHE H H 22 7.940 7.940 7.703 0.237 25363 1643 1 16 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.405 -0.125 25363 1644 1 16 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.065 0.335 25363 1645 1 16 . 1 1 23 23 LYS H H 23 7.820 7.820 7.791 0.029 25363 1646 1 16 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.390 0.230 25363 1647 1 16 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.366 -1.666 25363 1648 1 16 . 1 1 24 24 LYS H H 24 8.030 8.030 7.823 0.207 25363 1649 1 16 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.569 -0.159 25363 1650 1 16 . 1 1 25 25 PRO CA C 25 63.000 63.000 62.969 0.031 25363 1651 1 16 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.260 -1.060 25363 1652 1 16 . 1 1 26 26 MET HA H 26 4.500 4.500 4.446 0.054 25363 1653 1 16 . 1 1 26 26 MET CA C 26 55.100 55.100 56.613 -1.513 25363 1654 1 16 . 1 1 26 26 MET CB C 26 33.100 33.100 32.822 0.278 25363 1655 1 16 . 1 1 26 26 MET H H 26 8.420 8.420 8.323 0.097 25363 1656 1 16 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.012 0.148 25363 1657 1 16 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.208 -1.608 25363 1658 1 16 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.166 0.134 25363 1659 1 16 . 1 1 27 27 VAL H H 27 8.210 8.210 7.686 0.524 25363 1660 1 16 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.162 -0.012 25363 1661 1 16 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.401 -0.601 25363 1662 1 16 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.364 -0.164 25363 1663 1 16 . 1 1 28 28 ILE H H 28 8.290 8.290 8.287 0.003 25363 1664 1 16 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.831 0.268 25363 1665 1 16 . 1 1 29 29 GLY H H 29 8.560 8.560 8.841 -0.281 25363 1666 1 16 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.521 -0.251 25363 1667 1 16 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.501 0.399 25363 1668 1 16 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.537 -0.637 25363 1669 1 16 . 1 1 30 30 VAL H H 30 7.660 7.660 7.727 -0.067 25363 1670 1 16 . 1 1 31 31 THR HA H 31 4.350 4.350 4.523 -0.173 25363 1671 1 16 . 1 1 31 31 THR CA C 31 61.300 61.300 60.964 0.336 25363 1672 1 16 . 1 1 31 31 THR CB C 31 69.000 69.000 70.660 -1.660 25363 1673 1 16 . 1 1 31 31 THR H H 31 8.260 8.260 8.069 0.191 25363 1674 1 16 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.215 0.105 25363 1675 1 16 . 1 1 32 32 ILE CA C 32 57.800 57.800 60.216 -2.416 25363 1676 1 16 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.767 -1.067 25363 1677 1 16 . 1 1 32 32 ILE H H 32 8.310 8.310 8.513 -0.203 25363 1678 1 16 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.386 0.084 25363 1679 1 16 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.736 -0.836 25363 1680 1 16 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.900 -1.500 25363 1681 1 17 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.471 -0.151 25363 1682 1 17 . 1 1 2 2 ARG CA C 2 56.600 56.600 55.845 0.755 25363 1683 1 17 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.394 -0.094 25363 1684 1 17 . 1 1 2 2 ARG H H 2 8.960 8.960 8.631 0.329 25363 1685 1 17 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.490 0.010 25363 1686 1 17 . 1 1 3 3 PHE CA C 3 59.500 59.500 58.897 0.603 25363 1687 1 17 . 1 1 3 3 PHE H H 3 8.640 8.640 8.059 0.581 25363 1688 1 17 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.639 0.341 25363 1689 1 17 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.260 0.340 25363 1690 1 17 . 1 1 4 4 LYS H H 4 8.270 8.270 7.532 0.738 25363 1691 1 17 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.105 -0.055 25363 1692 1 17 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.842 -0.042 25363 1693 1 17 . 1 1 5 5 LYS H H 5 8.230 8.230 7.504 0.726 25363 1694 1 17 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.239 0.111 25363 1695 1 17 . 1 1 6 6 PHE H H 6 8.040 8.040 7.844 0.196 25363 1696 1 17 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.797 0.333 25363 1697 1 17 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.026 -0.726 25363 1698 1 17 . 1 1 7 7 PHE H H 7 8.590 8.590 8.379 0.211 25363 1699 1 17 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.719 0.131 25363 1700 1 17 . 1 1 8 8 LYS CA C 8 59.400 59.400 57.844 1.556 25363 1701 1 17 . 1 1 8 8 LYS H H 8 8.120 8.120 7.661 0.459 25363 1702 1 17 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.144 -0.054 25363 1703 1 17 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.453 -0.053 25363 1704 1 17 . 1 1 9 9 LYS H H 9 7.620 7.620 7.484 0.136 25363 1705 1 17 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.497 0.243 25363 1706 1 17 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.335 -1.835 25363 1707 1 17 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.799 0.501 25363 1708 1 17 . 1 1 10 10 VAL H H 10 7.960 7.960 8.091 -0.131 25363 1709 1 17 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.887 -0.217 25363 1710 1 17 . 1 1 11 11 LYS H H 11 8.240 8.240 7.440 0.800 25363 1711 1 17 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.132 -0.152 25363 1712 1 17 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.836 0.364 25363 1713 1 17 . 1 1 12 12 LYS H H 12 7.870 7.870 7.450 0.420 25363 1714 1 17 . 1 1 13 13 SER HA H 13 4.250 4.250 4.244 0.006 25363 1715 1 17 . 1 1 13 13 SER CA C 13 61.200 61.200 61.711 -0.511 25363 1716 1 17 . 1 1 13 13 SER CB C 13 62.500 62.500 63.097 -0.597 25363 1717 1 17 . 1 1 13 13 SER H H 13 7.980 7.980 7.529 0.451 25363 1718 1 17 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.582 0.058 25363 1719 1 17 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.074 0.026 25363 1720 1 17 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.503 -0.503 25363 1721 1 17 . 1 1 14 14 VAL H H 14 8.460 8.460 8.382 0.078 25363 1722 1 17 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.988 -0.158 25363 1723 1 17 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.557 0.743 25363 1724 1 17 . 1 1 15 15 LYS H H 15 8.330 8.330 7.538 0.792 25363 1725 1 17 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.136 -0.116 25363 1726 1 17 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.742 0.158 25363 1727 1 17 . 1 1 16 16 LYS H H 16 7.760 7.760 7.723 0.037 25363 1728 1 17 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.098 0.112 25363 1729 1 17 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.766 -1.466 25363 1730 1 17 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.763 -0.163 25363 1731 1 17 . 1 1 17 17 ARG H H 17 7.730 7.730 7.546 0.184 25363 1732 1 17 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.055 0.105 25363 1733 1 17 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.244 -0.444 25363 1734 1 17 . 1 1 18 18 LEU H H 18 8.390 8.390 7.686 0.704 25363 1735 1 17 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.021 0.049 25363 1736 1 17 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.321 -0.821 25363 1737 1 17 . 1 1 19 19 LYS H H 19 7.930 7.930 8.101 -0.171 25363 1738 1 17 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.172 -0.012 25363 1739 1 17 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.092 -0.691 25363 1740 1 17 . 1 1 20 20 LYS H H 20 7.450 7.450 7.557 -0.107 25363 1741 1 17 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.752 0.138 25363 1742 1 17 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.916 -1.316 25363 1743 1 17 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.244 0.056 25363 1744 1 17 . 1 1 21 21 ILE H H 21 7.600 7.600 7.476 0.124 25363 1745 1 17 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.553 0.077 25363 1746 1 17 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.397 0.003 25363 1747 1 17 . 1 1 22 22 PHE H H 22 7.940 7.940 8.006 -0.066 25363 1748 1 17 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.223 0.057 25363 1749 1 17 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.312 -0.912 25363 1750 1 17 . 1 1 23 23 LYS H H 23 7.820 7.820 7.629 0.191 25363 1751 1 17 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.269 0.351 25363 1752 1 17 . 1 1 24 24 LYS CA C 24 53.700 53.700 54.975 -1.275 25363 1753 1 17 . 1 1 24 24 LYS H H 24 8.030 8.030 8.077 -0.047 25363 1754 1 17 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.492 -0.082 25363 1755 1 17 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.133 -0.133 25363 1756 1 17 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.631 -0.431 25363 1757 1 17 . 1 1 26 26 MET HA H 26 4.500 4.500 4.388 0.112 25363 1758 1 17 . 1 1 26 26 MET CA C 26 55.100 55.100 56.717 -1.617 25363 1759 1 17 . 1 1 26 26 MET CB C 26 33.100 33.100 33.013 0.087 25363 1760 1 17 . 1 1 26 26 MET H H 26 8.420 8.420 8.714 -0.294 25363 1761 1 17 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.037 0.123 25363 1762 1 17 . 1 1 27 27 VAL CA C 27 61.600 61.600 63.224 -1.624 25363 1763 1 17 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.148 0.152 25363 1764 1 17 . 1 1 27 27 VAL H H 27 8.210 8.210 7.981 0.229 25363 1765 1 17 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.292 -0.142 25363 1766 1 17 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.967 -0.167 25363 1767 1 17 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.320 -1.120 25363 1768 1 17 . 1 1 28 28 ILE H H 28 8.290 8.290 8.254 0.036 25363 1769 1 17 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.846 0.254 25363 1770 1 17 . 1 1 29 29 GLY H H 29 8.560 8.560 8.693 -0.133 25363 1771 1 17 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.476 -0.206 25363 1772 1 17 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.015 -0.115 25363 1773 1 17 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.560 -0.660 25363 1774 1 17 . 1 1 30 30 VAL H H 30 7.660 7.660 7.619 0.041 25363 1775 1 17 . 1 1 31 31 THR HA H 31 4.350 4.350 4.498 -0.148 25363 1776 1 17 . 1 1 31 31 THR CA C 31 61.300 61.300 61.335 -0.035 25363 1777 1 17 . 1 1 31 31 THR CB C 31 69.000 69.000 70.718 -1.718 25363 1778 1 17 . 1 1 31 31 THR H H 31 8.260 8.260 8.007 0.253 25363 1779 1 17 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.175 0.145 25363 1780 1 17 . 1 1 32 32 ILE CA C 32 57.800 57.800 60.295 -2.495 25363 1781 1 17 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.583 -0.883 25363 1782 1 17 . 1 1 32 32 ILE H H 32 8.310 8.310 8.472 -0.162 25363 1783 1 17 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.374 0.096 25363 1784 1 17 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.693 -0.793 25363 1785 1 17 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.887 -1.486 25363 1786 1 18 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.453 -0.133 25363 1787 1 18 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.023 -0.423 25363 1788 1 18 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.631 -0.331 25363 1789 1 18 . 1 1 2 2 ARG H H 2 8.960 8.960 8.469 0.491 25363 1790 1 18 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.646 -0.146 25363 1791 1 18 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.578 -0.078 25363 1792 1 18 . 1 1 3 3 PHE H H 3 8.640 8.640 8.069 0.571 25363 1793 1 18 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.609 0.371 25363 1794 1 18 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.665 -0.065 25363 1795 1 18 . 1 1 4 4 LYS H H 4 8.270 8.270 7.654 0.616 25363 1796 1 18 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.080 -0.030 25363 1797 1 18 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.941 -0.141 25363 1798 1 18 . 1 1 5 5 LYS H H 5 8.230 8.230 7.680 0.550 25363 1799 1 18 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.438 -0.088 25363 1800 1 18 . 1 1 6 6 PHE H H 6 8.040 8.040 7.894 0.146 25363 1801 1 18 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.825 0.305 25363 1802 1 18 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.317 -1.017 25363 1803 1 18 . 1 1 7 7 PHE H H 7 8.590 8.590 8.216 0.374 25363 1804 1 18 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.657 0.193 25363 1805 1 18 . 1 1 8 8 LYS CA C 8 59.400 59.400 59.071 0.329 25363 1806 1 18 . 1 1 8 8 LYS H H 8 8.120 8.120 7.867 0.253 25363 1807 1 18 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.071 0.019 25363 1808 1 18 . 1 1 9 9 LYS CA C 9 58.400 58.400 59.008 -0.608 25363 1809 1 18 . 1 1 9 9 LYS H H 9 7.620 7.620 7.303 0.317 25363 1810 1 18 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.523 0.217 25363 1811 1 18 . 1 1 10 10 VAL CA C 10 64.500 64.500 65.971 -1.471 25363 1812 1 18 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.273 0.027 25363 1813 1 18 . 1 1 10 10 VAL H H 10 7.960 7.960 7.581 0.379 25363 1814 1 18 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.732 -0.062 25363 1815 1 18 . 1 1 11 11 LYS H H 11 8.240 8.240 7.955 0.285 25363 1816 1 18 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.082 -0.102 25363 1817 1 18 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.979 0.221 25363 1818 1 18 . 1 1 12 12 LYS H H 12 7.870 7.870 7.416 0.454 25363 1819 1 18 . 1 1 13 13 SER HA H 13 4.250 4.250 4.256 -0.006 25363 1820 1 18 . 1 1 13 13 SER CA C 13 61.200 61.200 61.418 -0.218 25363 1821 1 18 . 1 1 13 13 SER CB C 13 62.500 62.500 62.995 -0.495 25363 1822 1 18 . 1 1 13 13 SER H H 13 7.980 7.980 7.738 0.242 25363 1823 1 18 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.543 0.097 25363 1824 1 18 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.371 -0.271 25363 1825 1 18 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.389 -0.389 25363 1826 1 18 . 1 1 14 14 VAL H H 14 8.460 8.460 8.649 -0.189 25363 1827 1 18 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.927 -0.097 25363 1828 1 18 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.683 0.617 25363 1829 1 18 . 1 1 15 15 LYS H H 15 8.330 8.330 7.651 0.679 25363 1830 1 18 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.038 -0.018 25363 1831 1 18 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.216 -0.316 25363 1832 1 18 . 1 1 16 16 LYS H H 16 7.760 7.760 7.694 0.066 25363 1833 1 18 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.112 0.098 25363 1834 1 18 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.258 -0.958 25363 1835 1 18 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.775 -0.175 25363 1836 1 18 . 1 1 17 17 ARG H H 17 7.730 7.730 7.726 0.004 25363 1837 1 18 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.134 0.026 25363 1838 1 18 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.430 -0.630 25363 1839 1 18 . 1 1 18 18 LEU H H 18 8.390 8.390 7.873 0.517 25363 1840 1 18 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.015 0.055 25363 1841 1 18 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.411 -0.911 25363 1842 1 18 . 1 1 19 19 LYS H H 19 7.930 7.930 7.703 0.227 25363 1843 1 18 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.153 0.007 25363 1844 1 18 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.583 -1.183 25363 1845 1 18 . 1 1 20 20 LYS H H 20 7.450 7.450 7.523 -0.073 25363 1846 1 18 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.772 0.118 25363 1847 1 18 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.725 -1.125 25363 1848 1 18 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.261 0.039 25363 1849 1 18 . 1 1 21 21 ILE H H 21 7.600 7.600 7.531 0.069 25363 1850 1 18 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.608 0.022 25363 1851 1 18 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.292 0.108 25363 1852 1 18 . 1 1 22 22 PHE H H 22 7.940 7.940 7.821 0.119 25363 1853 1 18 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.310 -0.030 25363 1854 1 18 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.747 -0.347 25363 1855 1 18 . 1 1 23 23 LYS H H 23 7.820 7.820 7.871 -0.051 25363 1856 1 18 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.307 0.313 25363 1857 1 18 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.909 -2.209 25363 1858 1 18 . 1 1 24 24 LYS H H 24 8.030 8.030 7.997 0.033 25363 1859 1 18 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.472 -0.062 25363 1860 1 18 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.062 -0.062 25363 1861 1 18 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.497 -1.297 25363 1862 1 18 . 1 1 26 26 MET HA H 26 4.500 4.500 4.603 -0.103 25363 1863 1 18 . 1 1 26 26 MET CA C 26 55.100 55.100 54.693 0.407 25363 1864 1 18 . 1 1 26 26 MET CB C 26 33.100 33.100 32.715 0.385 25363 1865 1 18 . 1 1 26 26 MET H H 26 8.420 8.420 8.308 0.112 25363 1866 1 18 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.048 0.112 25363 1867 1 18 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.590 -0.991 25363 1868 1 18 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.435 -0.135 25363 1869 1 18 . 1 1 27 27 VAL H H 27 8.210 8.210 8.328 -0.118 25363 1870 1 18 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.255 -0.105 25363 1871 1 18 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.195 -0.395 25363 1872 1 18 . 1 1 28 28 ILE CB C 28 38.200 38.200 39.499 -1.299 25363 1873 1 18 . 1 1 28 28 ILE H H 28 8.290 8.290 8.287 0.003 25363 1874 1 18 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.880 0.220 25363 1875 1 18 . 1 1 29 29 GLY H H 29 8.560 8.560 8.719 -0.159 25363 1876 1 18 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.458 -0.188 25363 1877 1 18 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.876 0.024 25363 1878 1 18 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.318 -0.417 25363 1879 1 18 . 1 1 30 30 VAL H H 30 7.660 7.660 7.613 0.047 25363 1880 1 18 . 1 1 31 31 THR HA H 31 4.350 4.350 4.410 -0.060 25363 1881 1 18 . 1 1 31 31 THR CA C 31 61.300 61.300 61.607 -0.307 25363 1882 1 18 . 1 1 31 31 THR CB C 31 69.000 69.000 69.666 -0.666 25363 1883 1 18 . 1 1 31 31 THR H H 31 8.260 8.260 8.073 0.187 25363 1884 1 18 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.315 0.005 25363 1885 1 18 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.496 -1.696 25363 1886 1 18 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.172 -1.472 25363 1887 1 18 . 1 1 32 32 ILE H H 32 8.310 8.310 8.380 -0.070 25363 1888 1 18 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.590 -0.120 25363 1889 1 18 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.288 -0.388 25363 1890 1 18 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.824 -0.424 25363 1891 1 19 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.370 -0.050 25363 1892 1 19 . 1 1 2 2 ARG CA C 2 56.600 56.600 55.724 0.876 25363 1893 1 19 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.087 0.213 25363 1894 1 19 . 1 1 2 2 ARG H H 2 8.960 8.960 8.432 0.528 25363 1895 1 19 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.428 0.072 25363 1896 1 19 . 1 1 3 3 PHE CA C 3 59.500 59.500 58.980 0.520 25363 1897 1 19 . 1 1 3 3 PHE H H 3 8.640 8.640 8.172 0.468 25363 1898 1 19 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.620 0.360 25363 1899 1 19 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.315 0.285 25363 1900 1 19 . 1 1 4 4 LYS H H 4 8.270 8.270 7.554 0.716 25363 1901 1 19 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.107 -0.057 25363 1902 1 19 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.836 -0.036 25363 1903 1 19 . 1 1 5 5 LYS H H 5 8.230 8.230 7.578 0.652 25363 1904 1 19 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.256 0.094 25363 1905 1 19 . 1 1 6 6 PHE H H 6 8.040 8.040 7.842 0.198 25363 1906 1 19 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.713 0.417 25363 1907 1 19 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.330 -1.030 25363 1908 1 19 . 1 1 7 7 PHE H H 7 8.590 8.590 8.317 0.273 25363 1909 1 19 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.680 0.170 25363 1910 1 19 . 1 1 8 8 LYS CA C 8 59.400 59.400 59.067 0.333 25363 1911 1 19 . 1 1 8 8 LYS H H 8 8.120 8.120 7.738 0.382 25363 1912 1 19 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.117 -0.027 25363 1913 1 19 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.518 -0.118 25363 1914 1 19 . 1 1 9 9 LYS H H 9 7.620 7.620 7.407 0.213 25363 1915 1 19 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.417 0.323 25363 1916 1 19 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.361 -1.861 25363 1917 1 19 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.203 0.097 25363 1918 1 19 . 1 1 10 10 VAL H H 10 7.960 7.960 7.869 0.091 25363 1919 1 19 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.820 -0.150 25363 1920 1 19 . 1 1 11 11 LYS H H 11 8.240 8.240 7.619 0.621 25363 1921 1 19 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.107 -0.127 25363 1922 1 19 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.728 0.472 25363 1923 1 19 . 1 1 12 12 LYS H H 12 7.870 7.870 7.384 0.486 25363 1924 1 19 . 1 1 13 13 SER HA H 13 4.250 4.250 4.218 0.032 25363 1925 1 19 . 1 1 13 13 SER CA C 13 61.200 61.200 61.334 -0.134 25363 1926 1 19 . 1 1 13 13 SER CB C 13 62.500 62.500 63.127 -0.627 25363 1927 1 19 . 1 1 13 13 SER H H 13 7.980 7.980 7.501 0.479 25363 1928 1 19 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.651 -0.011 25363 1929 1 19 . 1 1 14 14 VAL CA C 14 66.100 66.100 65.953 0.147 25363 1930 1 19 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.384 -0.385 25363 1931 1 19 . 1 1 14 14 VAL H H 14 8.460 8.460 8.330 0.130 25363 1932 1 19 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.955 -0.125 25363 1933 1 19 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.612 0.688 25363 1934 1 19 . 1 1 15 15 LYS H H 15 8.330 8.330 7.520 0.810 25363 1935 1 19 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.114 -0.094 25363 1936 1 19 . 1 1 16 16 LYS CA C 16 58.900 58.900 58.946 -0.046 25363 1937 1 19 . 1 1 16 16 LYS H H 16 7.760 7.760 7.700 0.060 25363 1938 1 19 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.102 0.108 25363 1939 1 19 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.774 -1.474 25363 1940 1 19 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.724 -0.124 25363 1941 1 19 . 1 1 17 17 ARG H H 17 7.730 7.730 7.481 0.249 25363 1942 1 19 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.016 0.144 25363 1943 1 19 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.693 -0.893 25363 1944 1 19 . 1 1 18 18 LEU H H 18 8.390 8.390 7.643 0.747 25363 1945 1 19 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.040 0.030 25363 1946 1 19 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.288 -0.788 25363 1947 1 19 . 1 1 19 19 LYS H H 19 7.930 7.930 8.018 -0.088 25363 1948 1 19 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.191 -0.031 25363 1949 1 19 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.499 -1.099 25363 1950 1 19 . 1 1 20 20 LYS H H 20 7.450 7.450 7.568 -0.118 25363 1951 1 19 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.774 0.116 25363 1952 1 19 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.813 -1.213 25363 1953 1 19 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.247 0.053 25363 1954 1 19 . 1 1 21 21 ILE H H 21 7.600 7.600 7.445 0.155 25363 1955 1 19 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.576 0.054 25363 1956 1 19 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.472 -0.072 25363 1957 1 19 . 1 1 22 22 PHE H H 22 7.940 7.940 7.851 0.089 25363 1958 1 19 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.284 -0.004 25363 1959 1 19 . 1 1 23 23 LYS CA C 23 56.400 56.400 57.261 -0.861 25363 1960 1 19 . 1 1 23 23 LYS H H 23 7.820 7.820 7.737 0.083 25363 1961 1 19 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.299 0.321 25363 1962 1 19 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.746 -2.046 25363 1963 1 19 . 1 1 24 24 LYS H H 24 8.030 8.030 8.016 0.014 25363 1964 1 19 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.479 -0.069 25363 1965 1 19 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.138 -0.138 25363 1966 1 19 . 1 1 25 25 PRO CB C 25 31.200 31.200 32.373 -1.173 25363 1967 1 19 . 1 1 26 26 MET HA H 26 4.500 4.500 4.595 -0.095 25363 1968 1 19 . 1 1 26 26 MET CA C 26 55.100 55.100 56.417 -1.317 25363 1969 1 19 . 1 1 26 26 MET CB C 26 33.100 33.100 33.549 -0.449 25363 1970 1 19 . 1 1 26 26 MET H H 26 8.420 8.420 8.521 -0.101 25363 1971 1 19 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.279 -0.119 25363 1972 1 19 . 1 1 27 27 VAL CA C 27 61.600 61.600 61.724 -0.124 25363 1973 1 19 . 1 1 27 27 VAL CB C 27 32.300 32.300 34.156 -1.856 25363 1974 1 19 . 1 1 27 27 VAL H H 27 8.210 8.210 7.691 0.519 25363 1975 1 19 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.352 -0.202 25363 1976 1 19 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.532 -0.732 25363 1977 1 19 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.065 0.135 25363 1978 1 19 . 1 1 28 28 ILE H H 28 8.290 8.290 8.433 -0.143 25363 1979 1 19 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.711 0.389 25363 1980 1 19 . 1 1 29 29 GLY H H 29 8.560 8.560 8.850 -0.290 25363 1981 1 19 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.443 -0.173 25363 1982 1 19 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.906 -0.006 25363 1983 1 19 . 1 1 30 30 VAL CB C 30 32.900 32.900 32.907 -0.007 25363 1984 1 19 . 1 1 30 30 VAL H H 30 7.660 7.660 7.759 -0.099 25363 1985 1 19 . 1 1 31 31 THR HA H 31 4.350 4.350 4.349 0.001 25363 1986 1 19 . 1 1 31 31 THR CA C 31 61.300 61.300 61.717 -0.416 25363 1987 1 19 . 1 1 31 31 THR CB C 31 69.000 69.000 69.629 -0.629 25363 1988 1 19 . 1 1 31 31 THR H H 31 8.260 8.260 8.086 0.174 25363 1989 1 19 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.134 0.186 25363 1990 1 19 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.938 -2.138 25363 1991 1 19 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.805 -1.105 25363 1992 1 19 . 1 1 32 32 ILE H H 32 8.310 8.310 8.394 -0.084 25363 1993 1 19 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.274 0.196 25363 1994 1 19 . 1 1 33 33 PRO CA C 33 62.900 62.900 64.040 -1.140 25363 1995 1 19 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.555 -1.155 25363 1996 1 20 . 1 1 2 2 ARG HA H 2 4.320 4.320 4.551 -0.231 25363 1997 1 20 . 1 1 2 2 ARG CA C 2 56.600 56.600 55.536 1.064 25363 1998 1 20 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.570 -0.270 25363 1999 1 20 . 1 1 2 2 ARG H H 2 8.960 8.960 8.747 0.213 25363 2000 1 20 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.380 0.120 25363 2001 1 20 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.237 0.263 25363 2002 1 20 . 1 1 3 3 PHE H H 3 8.640 8.640 8.259 0.381 25363 2003 1 20 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.501 0.479 25363 2004 1 20 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.249 0.351 25363 2005 1 20 . 1 1 4 4 LYS H H 4 8.270 8.270 7.628 0.642 25363 2006 1 20 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.104 -0.054 25363 2007 1 20 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.598 0.202 25363 2008 1 20 . 1 1 5 5 LYS H H 5 8.230 8.230 7.675 0.555 25363 2009 1 20 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.412 -0.062 25363 2010 1 20 . 1 1 6 6 PHE H H 6 8.040 8.040 7.845 0.195 25363 2011 1 20 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.863 0.267 25363 2012 1 20 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.282 -0.982 25363 2013 1 20 . 1 1 7 7 PHE H H 7 8.590 8.590 8.325 0.266 25363 2014 1 20 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.753 0.097 25363 2015 1 20 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.285 1.115 25363 2016 1 20 . 1 1 8 8 LYS H H 8 8.120 8.120 7.947 0.173 25363 2017 1 20 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.112 -0.022 25363 2018 1 20 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.900 -0.500 25363 2019 1 20 . 1 1 9 9 LYS H H 9 7.620 7.620 7.413 0.207 25363 2020 1 20 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.512 0.228 25363 2021 1 20 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.003 -1.503 25363 2022 1 20 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.241 0.059 25363 2023 1 20 . 1 1 10 10 VAL H H 10 7.960 7.960 7.575 0.385 25363 2024 1 20 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.710 -0.040 25363 2025 1 20 . 1 1 11 11 LYS H H 11 8.240 8.240 7.872 0.368 25363 2026 1 20 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.116 -0.136 25363 2027 1 20 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.992 0.208 25363 2028 1 20 . 1 1 12 12 LYS H H 12 7.870 7.870 7.377 0.493 25363 2029 1 20 . 1 1 13 13 SER HA H 13 4.250 4.250 4.225 0.025 25363 2030 1 20 . 1 1 13 13 SER CA C 13 61.200 61.200 61.665 -0.465 25363 2031 1 20 . 1 1 13 13 SER CB C 13 62.500 62.500 62.839 -0.339 25363 2032 1 20 . 1 1 13 13 SER H H 13 7.980 7.980 7.562 0.418 25363 2033 1 20 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.623 0.017 25363 2034 1 20 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.254 -0.154 25363 2035 1 20 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.402 -0.402 25363 2036 1 20 . 1 1 14 14 VAL H H 14 8.460 8.460 8.469 -0.009 25363 2037 1 20 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.882 -0.052 25363 2038 1 20 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.898 0.402 25363 2039 1 20 . 1 1 15 15 LYS H H 15 8.330 8.330 7.532 0.798 25363 2040 1 20 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.001 0.019 25363 2041 1 20 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.304 -0.404 25363 2042 1 20 . 1 1 16 16 LYS H H 16 7.760 7.760 7.675 0.085 25363 2043 1 20 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.063 0.147 25363 2044 1 20 . 1 1 17 17 ARG CA C 17 57.300 57.300 59.030 -1.730 25363 2045 1 20 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.963 -0.363 25363 2046 1 20 . 1 1 17 17 ARG H H 17 7.730 7.730 7.418 0.312 25363 2047 1 20 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.118 0.042 25363 2048 1 20 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.228 -0.428 25363 2049 1 20 . 1 1 18 18 LEU H H 18 8.390 8.390 7.842 0.548 25363 2050 1 20 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.022 0.048 25363 2051 1 20 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.461 -0.961 25363 2052 1 20 . 1 1 19 19 LYS H H 19 7.930 7.930 7.927 0.003 25363 2053 1 20 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.197 -0.037 25363 2054 1 20 . 1 1 20 20 LYS CA C 20 57.400 57.400 57.556 -0.156 25363 2055 1 20 . 1 1 20 20 LYS H H 20 7.450 7.450 7.525 -0.075 25363 2056 1 20 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.769 0.121 25363 2057 1 20 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.920 -1.320 25363 2058 1 20 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.252 0.048 25363 2059 1 20 . 1 1 21 21 ILE H H 21 7.600 7.600 7.567 0.033 25363 2060 1 20 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.743 -0.113 25363 2061 1 20 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.202 0.198 25363 2062 1 20 . 1 1 22 22 PHE H H 22 7.940 7.940 7.924 0.016 25363 2063 1 20 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.366 -0.086 25363 2064 1 20 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.813 -0.413 25363 2065 1 20 . 1 1 23 23 LYS H H 23 7.820 7.820 7.546 0.274 25363 2066 1 20 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.329 0.291 25363 2067 1 20 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.634 -1.934 25363 2068 1 20 . 1 1 24 24 LYS H H 24 8.030 8.030 7.913 0.117 25363 2069 1 20 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.487 -0.077 25363 2070 1 20 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.347 -0.347 25363 2071 1 20 . 1 1 25 25 PRO CB C 25 31.200 31.200 30.681 0.519 25363 2072 1 20 . 1 1 26 26 MET HA H 26 4.500 4.500 4.303 0.197 25363 2073 1 20 . 1 1 26 26 MET CA C 26 55.100 55.100 57.309 -2.209 25363 2074 1 20 . 1 1 26 26 MET CB C 26 33.100 33.100 32.857 0.243 25363 2075 1 20 . 1 1 26 26 MET H H 26 8.420 8.420 8.044 0.376 25363 2076 1 20 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.057 0.103 25363 2077 1 20 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.649 -1.049 25363 2078 1 20 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.284 0.016 25363 2079 1 20 . 1 1 27 27 VAL H H 27 8.210 8.210 7.824 0.386 25363 2080 1 20 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.115 0.035 25363 2081 1 20 . 1 1 28 28 ILE CA C 28 60.800 60.800 61.599 -0.799 25363 2082 1 20 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.198 0.002 25363 2083 1 20 . 1 1 28 28 ILE H H 28 8.290 8.290 8.365 -0.075 25363 2084 1 20 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.644 0.456 25363 2085 1 20 . 1 1 29 29 GLY H H 29 8.560 8.560 8.859 -0.299 25363 2086 1 20 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.496 -0.226 25363 2087 1 20 . 1 1 30 30 VAL CA C 30 60.900 60.900 61.293 -0.393 25363 2088 1 20 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.386 -0.486 25363 2089 1 20 . 1 1 30 30 VAL H H 30 7.660 7.660 7.708 -0.048 25363 2090 1 20 . 1 1 31 31 THR HA H 31 4.350 4.350 4.550 -0.200 25363 2091 1 20 . 1 1 31 31 THR CA C 31 61.300 61.300 61.443 -0.143 25363 2092 1 20 . 1 1 31 31 THR CB C 31 69.000 69.000 70.479 -1.479 25363 2093 1 20 . 1 1 31 31 THR H H 31 8.260 8.260 8.134 0.126 25363 2094 1 20 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.261 0.059 25363 2095 1 20 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.523 -1.723 25363 2096 1 20 . 1 1 32 32 ILE CB C 32 37.700 37.700 39.146 -1.446 25363 2097 1 20 . 1 1 32 32 ILE H H 32 8.310 8.310 8.378 -0.068 25363 2098 1 20 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.521 -0.051 25363 2099 1 20 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.399 -0.499 25363 2100 1 20 . 1 1 33 33 PRO CB C 33 30.400 30.400 30.615 -0.215 25363 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 25363 2 1 1 "Average Difference" HA 33 0.159 -0.027 0.159 25363 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25363 4 1 1 "Average Difference" CA 30 0.904 0.489 0.774 25363 5 1 1 "Average Difference" CB 14 0.689 0.417 0.569 25363 6 1 1 "Average Difference" HN 30 0.371 -0.274 0.255 25363 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25363 8 1 2 "Average Difference" HA 33 0.168 -0.045 0.164 25363 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25363 10 1 2 "Average Difference" CA 30 0.970 0.559 0.805 25363 11 1 2 "Average Difference" CB 14 0.911 0.561 0.744 25363 12 1 2 "Average Difference" HN 30 0.358 -0.204 0.299 25363 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25363 14 1 3 "Average Difference" HA 33 0.158 -0.041 0.155 25363 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25363 16 1 3 "Average Difference" CA 30 1.059 0.614 0.878 25363 17 1 3 "Average Difference" CB 14 0.640 0.409 0.512 25363 18 1 3 "Average Difference" HN 30 0.402 -0.266 0.306 25363 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25363 20 1 4 "Average Difference" HA 33 0.147 -0.010 0.149 25363 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25363 22 1 4 "Average Difference" CA 30 0.681 0.401 0.561 25363 23 1 4 "Average Difference" CB 14 0.602 0.298 0.543 25363 24 1 4 "Average Difference" HN 30 0.362 -0.204 0.305 25363 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25363 26 1 5 "Average Difference" HA 33 0.136 -0.001 0.138 25363 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25363 28 1 5 "Average Difference" CA 30 0.744 0.405 0.635 25363 29 1 5 "Average Difference" CB 14 0.559 0.251 0.519 25363 30 1 5 "Average Difference" HN 30 0.371 -0.232 0.295 25363 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25363 32 1 6 "Average Difference" HA 33 0.169 -0.029 0.169 25363 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25363 34 1 6 "Average Difference" CA 30 0.870 0.402 0.785 25363 35 1 6 "Average Difference" CB 14 0.761 0.365 0.693 25363 36 1 6 "Average Difference" HN 30 0.379 -0.269 0.271 25363 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25363 38 1 7 "Average Difference" HA 33 0.170 -0.055 0.163 25363 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25363 40 1 7 "Average Difference" CA 30 1.027 0.492 0.917 25363 41 1 7 "Average Difference" CB 14 0.857 0.425 0.773 25363 42 1 7 "Average Difference" HN 30 0.373 -0.265 0.267 25363 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25363 44 1 8 "Average Difference" HA 33 0.159 -0.052 0.152 25363 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25363 46 1 8 "Average Difference" CA 30 0.939 0.504 0.805 25363 47 1 8 "Average Difference" CB 14 0.864 0.169 0.880 25363 48 1 8 "Average Difference" HN 30 0.389 -0.243 0.308 25363 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25363 50 1 9 "Average Difference" HA 33 0.176 -0.040 0.174 25363 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25363 52 1 9 "Average Difference" CA 30 0.891 0.532 0.728 25363 53 1 9 "Average Difference" CB 14 0.859 0.504 0.722 25363 54 1 9 "Average Difference" HN 30 0.372 -0.233 0.295 25363 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25363 56 1 10 "Average Difference" HA 33 0.156 -0.052 0.149 25363 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25363 58 1 10 "Average Difference" CA 30 0.923 0.540 0.761 25363 59 1 10 "Average Difference" CB 14 0.745 0.440 0.624 25363 60 1 10 "Average Difference" HN 30 0.393 -0.267 0.294 25363 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25363 62 1 11 "Average Difference" HA 33 0.165 -0.036 0.163 25363 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25363 64 1 11 "Average Difference" CA 30 0.999 0.638 0.782 25363 65 1 11 "Average Difference" CB 14 0.870 0.502 0.738 25363 66 1 11 "Average Difference" HN 30 0.392 -0.245 0.311 25363 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25363 68 1 12 "Average Difference" HA 33 0.158 -0.025 0.158 25363 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25363 70 1 12 "Average Difference" CA 30 0.881 0.514 0.728 25363 71 1 12 "Average Difference" CB 14 0.637 0.348 0.554 25363 72 1 12 "Average Difference" HN 30 0.342 -0.209 0.276 25363 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25363 74 1 13 "Average Difference" HA 33 0.144 -0.036 0.142 25363 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25363 76 1 13 "Average Difference" CA 30 0.825 0.517 0.654 25363 77 1 13 "Average Difference" CB 14 0.704 0.352 0.633 25363 78 1 13 "Average Difference" HN 30 0.346 -0.198 0.289 25363 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25363 80 1 14 "Average Difference" HA 33 0.167 -0.045 0.163 25363 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25363 82 1 14 "Average Difference" CA 30 0.892 0.552 0.712 25363 83 1 14 "Average Difference" CB 14 0.708 0.415 0.595 25363 84 1 14 "Average Difference" HN 30 0.334 -0.198 0.274 25363 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25363 86 1 15 "Average Difference" HA 33 0.166 -0.048 0.161 25363 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25363 88 1 15 "Average Difference" CA 30 0.915 0.443 0.814 25363 89 1 15 "Average Difference" CB 14 0.844 0.450 0.741 25363 90 1 15 "Average Difference" HN 30 0.373 -0.245 0.286 25363 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25363 92 1 16 "Average Difference" HA 33 0.164 -0.041 0.161 25363 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25363 94 1 16 "Average Difference" CA 30 0.975 0.520 0.839 25363 95 1 16 "Average Difference" CB 14 0.785 0.468 0.654 25363 96 1 16 "Average Difference" HN 30 0.407 -0.242 0.333 25363 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25363 98 1 17 "Average Difference" HA 33 0.164 -0.047 0.159 25363 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25363 100 1 17 "Average Difference" CA 30 0.971 0.409 0.895 25363 101 1 17 "Average Difference" CB 14 0.790 0.490 0.644 25363 102 1 17 "Average Difference" HN 30 0.382 -0.220 0.318 25363 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25363 104 1 18 "Average Difference" HA 33 0.142 -0.028 0.141 25363 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25363 106 1 18 "Average Difference" CA 30 0.792 0.463 0.654 25363 107 1 18 "Average Difference" CB 14 0.709 0.475 0.546 25363 108 1 18 "Average Difference" HN 30 0.317 -0.203 0.247 25363 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25363 110 1 19 "Average Difference" HA 33 0.164 -0.048 0.160 25363 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25363 112 1 19 "Average Difference" CA 30 0.935 0.466 0.824 25363 113 1 19 "Average Difference" CB 14 0.784 0.501 0.626 25363 114 1 19 "Average Difference" HN 30 0.382 -0.240 0.303 25363 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25363 116 1 20 "Average Difference" HA 33 0.157 -0.037 0.155 25363 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25363 118 1 20 "Average Difference" CA 30 0.946 0.462 0.840 25363 119 1 20 "Average Difference" CB 14 0.620 0.294 0.566 25363 120 1 20 "Average Difference" HN 30 0.334 -0.226 0.249 25363 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 25363 _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 ARG HA H 2 4.320 4.320 4.394 -0.074 25363 2 1 . 1 1 2 2 ARG CA C 2 56.600 56.600 57.089 -0.489 25363 3 1 . 1 1 2 2 ARG CB C 2 30.300 30.300 30.268 0.032 25363 4 1 . 1 1 2 2 ARG H H 2 8.960 8.960 8.520 0.440 25363 5 1 . 1 1 3 3 PHE HA H 3 4.500 4.500 4.553 -0.053 25363 6 1 . 1 1 3 3 PHE CA C 3 59.500 59.500 59.558 -0.058 25363 7 1 . 1 1 3 3 PHE H H 3 8.640 8.640 8.106 0.534 25363 8 1 . 1 1 4 4 LYS HA H 4 3.980 3.980 3.640 0.340 25363 9 1 . 1 1 4 4 LYS CA C 4 59.600 59.600 59.501 0.099 25363 10 1 . 1 1 4 4 LYS H H 4 8.270 8.270 7.581 0.689 25363 11 1 . 1 1 5 5 LYS HA H 5 4.050 4.050 4.098 -0.048 25363 12 1 . 1 1 5 5 LYS CA C 5 58.800 58.800 58.875 -0.075 25363 13 1 . 1 1 5 5 LYS H H 5 8.230 8.230 7.569 0.661 25363 14 1 . 1 1 6 6 PHE HA H 6 4.350 4.350 4.280 0.070 25363 15 1 . 1 1 6 6 PHE H H 6 8.040 8.040 7.852 0.188 25363 16 1 . 1 1 7 7 PHE HA H 7 4.130 4.130 3.764 0.366 25363 17 1 . 1 1 7 7 PHE CA C 7 60.300 60.300 61.233 -0.933 25363 18 1 . 1 1 7 7 PHE H H 7 8.590 8.590 8.323 0.267 25363 19 1 . 1 1 8 8 LYS HA H 8 3.850 3.850 3.667 0.183 25363 20 1 . 1 1 8 8 LYS CA C 8 59.400 59.400 58.516 0.884 25363 21 1 . 1 1 8 8 LYS H H 8 8.120 8.120 7.754 0.366 25363 22 1 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.124 -0.035 25363 23 1 . 1 1 9 9 LYS CA C 9 58.400 58.400 58.589 -0.189 25363 24 1 . 1 1 9 9 LYS H H 9 7.620 7.620 7.421 0.199 25363 25 1 . 1 1 10 10 VAL HA H 10 3.740 3.740 3.476 0.264 25363 26 1 . 1 1 10 10 VAL CA C 10 64.500 64.500 66.010 -1.510 25363 27 1 . 1 1 10 10 VAL CB C 10 31.300 31.300 30.867 0.433 25363 28 1 . 1 1 10 10 VAL H H 10 7.960 7.960 7.885 0.075 25363 29 1 . 1 1 11 11 LYS HA H 11 3.670 3.670 3.851 -0.181 25363 30 1 . 1 1 11 11 LYS H H 11 8.240 8.240 7.581 0.659 25363 31 1 . 1 1 12 12 LYS HA H 12 3.980 3.980 4.099 -0.119 25363 32 1 . 1 1 12 12 LYS CA C 12 59.200 59.200 58.925 0.275 25363 33 1 . 1 1 12 12 LYS H H 12 7.870 7.870 7.364 0.506 25363 34 1 . 1 1 13 13 SER HA H 13 4.250 4.250 4.241 0.009 25363 35 1 . 1 1 13 13 SER CA C 13 61.200 61.200 61.618 -0.418 25363 36 1 . 1 1 13 13 SER CB C 13 62.500 62.500 63.161 -0.661 25363 37 1 . 1 1 13 13 SER H H 13 7.980 7.980 7.577 0.403 25363 38 1 . 1 1 14 14 VAL HA H 14 3.640 3.640 3.625 0.015 25363 39 1 . 1 1 14 14 VAL CA C 14 66.100 66.100 66.178 -0.078 25363 40 1 . 1 1 14 14 VAL CB C 14 31.000 31.000 31.317 -0.317 25363 41 1 . 1 1 14 14 VAL H H 14 8.460 8.460 8.460 0.000 25363 42 1 . 1 1 15 15 LYS HA H 15 3.830 3.830 3.929 -0.099 25363 43 1 . 1 1 15 15 LYS CA C 15 60.300 60.300 59.737 0.562 25363 44 1 . 1 1 15 15 LYS H H 15 8.330 8.330 7.590 0.740 25363 45 1 . 1 1 16 16 LYS HA H 16 4.020 4.020 4.067 -0.047 25363 46 1 . 1 1 16 16 LYS CA C 16 58.900 58.900 59.134 -0.234 25363 47 1 . 1 1 16 16 LYS H H 16 7.760 7.760 7.684 0.075 25363 48 1 . 1 1 17 17 ARG HA H 17 4.210 4.210 4.121 0.089 25363 49 1 . 1 1 17 17 ARG CA C 17 57.300 57.300 58.494 -1.194 25363 50 1 . 1 1 17 17 ARG CB C 17 29.600 29.600 29.793 -0.193 25363 51 1 . 1 1 17 17 ARG H H 17 7.730 7.730 7.554 0.176 25363 52 1 . 1 1 18 18 LEU HA H 18 4.160 4.160 4.050 0.110 25363 53 1 . 1 1 18 18 LEU CA C 18 56.800 56.800 57.751 -0.951 25363 54 1 . 1 1 18 18 LEU H H 18 8.390 8.390 8.070 0.321 25363 55 1 . 1 1 19 19 LYS HA H 19 4.070 4.070 4.019 0.051 25363 56 1 . 1 1 19 19 LYS CA C 19 58.500 58.500 59.352 -0.852 25363 57 1 . 1 1 19 19 LYS H H 19 7.930 7.930 7.807 0.123 25363 58 1 . 1 1 20 20 LYS HA H 20 4.160 4.160 4.186 -0.026 25363 59 1 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.179 -0.779 25363 60 1 . 1 1 20 20 LYS H H 20 7.450 7.450 7.596 -0.146 25363 61 1 . 1 1 21 21 ILE HA H 21 3.890 3.890 3.777 0.113 25363 62 1 . 1 1 21 21 ILE CA C 21 62.600 62.600 63.787 -1.187 25363 63 1 . 1 1 21 21 ILE CB C 21 38.300 38.300 38.226 0.074 25363 64 1 . 1 1 21 21 ILE H H 21 7.600 7.600 7.439 0.161 25363 65 1 . 1 1 22 22 PHE HA H 22 4.630 4.630 4.577 0.053 25363 66 1 . 1 1 22 22 PHE CA C 22 57.400 57.400 57.542 -0.142 25363 67 1 . 1 1 22 22 PHE H H 22 7.940 7.940 7.938 0.002 25363 68 1 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.333 -0.053 25363 69 1 . 1 1 23 23 LYS CA C 23 56.400 56.400 56.833 -0.433 25363 70 1 . 1 1 23 23 LYS H H 23 7.820 7.820 7.754 0.066 25363 71 1 . 1 1 24 24 LYS HA H 24 4.620 4.620 4.421 0.199 25363 72 1 . 1 1 24 24 LYS CA C 24 53.700 53.700 55.015 -1.315 25363 73 1 . 1 1 24 24 LYS H H 24 8.030 8.030 7.879 0.151 25363 74 1 . 1 1 25 25 PRO HA H 25 4.410 4.410 4.460 -0.050 25363 75 1 . 1 1 25 25 PRO CA C 25 63.000 63.000 63.775 -0.775 25363 76 1 . 1 1 25 25 PRO CB C 25 31.200 31.200 31.873 -0.673 25363 77 1 . 1 1 26 26 MET HA H 26 4.500 4.500 4.394 0.106 25363 78 1 . 1 1 26 26 MET CA C 26 55.100 55.100 56.532 -1.432 25363 79 1 . 1 1 26 26 MET CB C 26 33.100 33.100 32.771 0.329 25363 80 1 . 1 1 26 26 MET H H 26 8.420 8.420 8.268 0.152 25363 81 1 . 1 1 27 27 VAL HA H 27 4.160 4.160 4.082 0.078 25363 82 1 . 1 1 27 27 VAL CA C 27 61.600 61.600 62.802 -1.203 25363 83 1 . 1 1 27 27 VAL CB C 27 32.300 32.300 32.572 -0.272 25363 84 1 . 1 1 27 27 VAL H H 27 8.210 8.210 7.829 0.381 25363 85 1 . 1 1 28 28 ILE HA H 28 4.150 4.150 4.331 -0.181 25363 86 1 . 1 1 28 28 ILE CA C 28 60.800 60.800 60.867 -0.067 25363 87 1 . 1 1 28 28 ILE CB C 28 38.200 38.200 38.835 -0.635 25363 88 1 . 1 1 28 28 ILE H H 28 8.290 8.290 8.290 0.000 25363 89 1 . 1 1 29 29 GLY CA C 29 45.100 45.100 44.852 0.248 25363 90 1 . 1 1 29 29 GLY H H 29 8.560 8.560 8.761 -0.201 25363 91 1 . 1 1 30 30 VAL HA H 30 4.270 4.270 4.466 -0.196 25363 92 1 . 1 1 30 30 VAL CA C 30 60.900 60.900 60.960 -0.060 25363 93 1 . 1 1 30 30 VAL CB C 30 32.900 32.900 33.363 -0.463 25363 94 1 . 1 1 30 30 VAL H H 30 7.660 7.660 7.620 0.040 25363 95 1 . 1 1 31 31 THR HA H 31 4.350 4.350 4.504 -0.154 25363 96 1 . 1 1 31 31 THR CA C 31 61.300 61.300 61.307 -0.007 25363 97 1 . 1 1 31 31 THR CB C 31 69.000 69.000 70.314 -1.314 25363 98 1 . 1 1 31 31 THR H H 31 8.260 8.260 8.107 0.153 25363 99 1 . 1 1 32 32 ILE HA H 32 4.320 4.320 4.231 0.089 25363 100 1 . 1 1 32 32 ILE CA C 32 57.800 57.800 59.712 -1.912 25363 101 1 . 1 1 32 32 ILE CB C 32 37.700 37.700 38.892 -1.192 25363 102 1 . 1 1 32 32 ILE H H 32 8.310 8.310 8.470 -0.159 25363 103 1 . 1 1 33 33 PRO HA H 33 4.470 4.470 4.446 0.024 25363 104 1 . 1 1 33 33 PRO CA C 33 62.900 62.900 63.556 -0.656 25363 105 1 . 1 1 33 33 PRO CB C 33 30.400 30.400 31.242 -0.842 25363 stop_ save_