data_19582 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19582 _Entry.PDB_ID 2MG2 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 19582 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.513 -0.083 19582 2 1 1 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.528 0.072 19582 3 1 1 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.236 0.264 19582 4 1 1 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.432 -0.052 19582 5 1 1 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.484 1.216 19582 6 1 1 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.401 -0.101 19582 7 1 1 . 1 1 3 3 LYS H H 3 8.380 8.380 7.753 0.627 19582 8 1 1 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.868 -1.368 19582 9 1 1 . 1 1 4 4 ASN H H 4 8.570 8.570 8.349 0.221 19582 10 1 1 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.400 0.060 19582 11 1 1 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.589 -0.389 19582 12 1 1 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.897 0.303 19582 13 1 1 . 1 1 5 5 TRP H H 5 8.000 8.000 8.887 -0.887 19582 14 1 1 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.744 0.536 19582 15 1 1 . 1 1 6 6 PHE CA C 6 59.000 59.000 59.963 -0.963 19582 16 1 1 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.246 0.254 19582 17 1 1 . 1 1 6 6 PHE H H 6 7.400 7.400 7.145 0.255 19582 18 1 1 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.666 -0.076 19582 19 1 1 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.328 -0.628 19582 20 1 1 . 1 1 7 7 ASP CB C 7 41.400 41.400 42.061 -0.661 19582 21 1 1 . 1 1 7 7 ASP H H 7 7.860 7.860 7.927 -0.067 19582 22 1 1 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.997 0.053 19582 23 1 1 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.398 2.002 19582 24 1 1 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.565 2.035 19582 25 1 1 . 1 1 8 8 ILE H H 8 7.840 7.840 7.633 0.207 19582 26 1 1 . 1 1 9 9 THR HA H 9 4.050 4.050 4.036 0.014 19582 27 1 1 . 1 1 9 9 THR CA C 9 64.000 64.000 66.727 -2.727 19582 28 1 1 . 1 1 9 9 THR CB C 9 69.100 69.100 68.448 0.652 19582 29 1 1 . 1 1 9 9 THR H H 9 8.080 8.080 7.875 0.205 19582 30 1 1 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.505 0.145 19582 31 1 1 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.350 0.350 19582 32 1 1 . 1 1 10 10 ASN H H 10 7.930 7.930 7.840 0.090 19582 33 1 1 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.478 0.272 19582 34 1 1 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.311 0.189 19582 35 1 1 . 1 1 11 11 TRP H H 11 7.910 7.910 7.674 0.236 19582 36 1 1 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.035 0.015 19582 37 1 1 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.541 -0.641 19582 38 1 1 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.275 0.525 19582 39 1 1 . 1 1 12 12 LEU H H 12 8.000 8.000 8.091 -0.091 19582 40 1 1 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.283 -0.033 19582 41 1 1 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.480 -2.180 19582 42 1 1 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.090 -0.390 19582 43 1 1 . 1 1 13 13 TRP H H 13 7.850 7.850 8.111 -0.261 19582 44 1 1 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.096 -0.046 19582 45 1 1 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.583 -1.283 19582 46 1 1 . 1 1 14 14 TYR H H 14 7.400 7.400 7.659 -0.259 19582 47 1 1 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.791 0.009 19582 48 1 1 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.496 -0.196 19582 49 1 1 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.811 -0.111 19582 50 1 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.582 0.348 19582 51 1 1 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.969 -0.049 19582 52 1 1 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.970 1.130 19582 53 1 1 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.948 0.052 19582 54 1 1 . 1 1 16 16 LYS H H 16 7.880 7.880 7.833 0.047 19582 55 1 1 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.724 0.356 19582 56 1 1 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.798 0.402 19582 57 1 1 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.430 0.270 19582 58 1 1 . 1 1 17 17 LEU H H 17 7.580 7.580 8.023 -0.443 19582 59 1 1 . 1 1 18 18 PHE HA H 18 4.140 4.140 4.037 0.103 19582 60 1 1 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.854 0.046 19582 61 1 1 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.850 0.050 19582 62 1 1 . 1 1 18 18 PHE H H 18 8.140 8.140 7.492 0.648 19582 63 1 1 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.570 0.020 19582 64 1 1 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.129 -0.029 19582 65 1 1 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.605 0.295 19582 66 1 1 . 1 1 19 19 ILE H H 19 8.470 8.470 7.448 1.022 19582 67 1 1 . 1 1 20 20 MET HA H 20 4.130 4.130 4.015 0.115 19582 68 1 1 . 1 1 20 20 MET CA C 20 59.100 59.100 58.920 0.180 19582 69 1 1 . 1 1 20 20 MET CB C 20 32.600 32.600 32.263 0.337 19582 70 1 1 . 1 1 20 20 MET H H 20 8.110 8.110 7.188 0.922 19582 71 1 1 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.561 0.249 19582 72 1 1 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.420 -0.320 19582 73 1 1 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.601 0.699 19582 74 1 1 . 1 1 21 21 ILE H H 21 8.550 8.550 8.184 0.366 19582 75 1 1 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.447 0.153 19582 76 1 1 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.314 0.586 19582 77 1 1 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.965 0.235 19582 78 1 1 . 1 1 22 22 VAL H H 22 8.640 8.640 8.241 0.399 19582 79 1 1 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.120 -0.220 19582 80 1 1 . 1 1 23 23 GLY H H 23 8.320 8.320 8.189 0.131 19582 81 1 1 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.883 1.717 19582 82 1 1 . 1 1 24 24 GLY H H 24 7.620 7.620 7.384 0.236 19582 83 1 1 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.348 -0.118 19582 84 1 1 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.116 -0.016 19582 85 1 1 . 1 1 25 25 LEU H H 25 8.050 8.050 7.769 0.281 19582 86 1 1 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.781 0.049 19582 87 1 1 . 1 1 26 26 VAL CA C 26 65.300 65.300 64.720 0.580 19582 88 1 1 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.259 -0.259 19582 89 1 1 . 1 1 26 26 VAL H H 26 8.310 8.310 8.234 0.076 19582 90 1 1 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.144 0.076 19582 91 1 1 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.559 1.141 19582 92 1 1 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.434 0.065 19582 93 1 1 . 1 1 27 27 LYS H H 27 7.850 7.850 8.396 -0.546 19582 94 1 2 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.535 -0.105 19582 95 1 2 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.026 0.573 19582 96 1 2 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.835 0.665 19582 97 1 2 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.423 -0.043 19582 98 1 2 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.863 0.837 19582 99 1 2 . 1 1 3 3 LYS CB C 3 33.300 33.300 32.711 0.589 19582 100 1 2 . 1 1 3 3 LYS H H 3 8.380 8.380 7.827 0.553 19582 101 1 2 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.314 0.186 19582 102 1 2 . 1 1 4 4 ASN H H 4 8.570 8.570 8.814 -0.244 19582 103 1 2 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.394 0.066 19582 104 1 2 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.981 0.219 19582 105 1 2 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.644 0.556 19582 106 1 2 . 1 1 5 5 TRP H H 5 8.000 8.000 9.067 -1.067 19582 107 1 2 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.539 0.741 19582 108 1 2 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.564 -1.564 19582 109 1 2 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.385 0.115 19582 110 1 2 . 1 1 6 6 PHE H H 6 7.400 7.400 7.409 -0.009 19582 111 1 2 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.650 -0.060 19582 112 1 2 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.792 -1.092 19582 113 1 2 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.492 -0.092 19582 114 1 2 . 1 1 7 7 ASP H H 7 7.860 7.860 7.809 0.051 19582 115 1 2 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.923 0.127 19582 116 1 2 . 1 1 8 8 ILE CA C 8 65.400 65.400 64.281 1.119 19582 117 1 2 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.025 1.575 19582 118 1 2 . 1 1 8 8 ILE H H 8 7.840 7.840 7.480 0.360 19582 119 1 2 . 1 1 9 9 THR HA H 9 4.050 4.050 4.064 -0.014 19582 120 1 2 . 1 1 9 9 THR CA C 9 64.000 64.000 66.299 -2.299 19582 121 1 2 . 1 1 9 9 THR CB C 9 69.100 69.100 68.592 0.508 19582 122 1 2 . 1 1 9 9 THR H H 9 8.080 8.080 7.772 0.308 19582 123 1 2 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.686 -0.036 19582 124 1 2 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.183 0.517 19582 125 1 2 . 1 1 10 10 ASN H H 10 7.930 7.930 7.374 0.556 19582 126 1 2 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.237 0.513 19582 127 1 2 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.419 0.081 19582 128 1 2 . 1 1 11 11 TRP H H 11 7.910 7.910 7.679 0.231 19582 129 1 2 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.003 0.048 19582 130 1 2 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.421 -0.521 19582 131 1 2 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.276 0.524 19582 132 1 2 . 1 1 12 12 LEU H H 12 8.000 8.000 8.082 -0.082 19582 133 1 2 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.431 -0.181 19582 134 1 2 . 1 1 13 13 TRP CA C 13 60.300 60.300 59.209 1.091 19582 135 1 2 . 1 1 13 13 TRP CB C 13 28.700 28.700 28.340 0.360 19582 136 1 2 . 1 1 13 13 TRP H H 13 7.850 7.850 7.558 0.292 19582 137 1 2 . 1 1 14 14 TYR HA H 14 4.050 4.050 3.433 0.617 19582 138 1 2 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.127 -0.827 19582 139 1 2 . 1 1 14 14 TYR H H 14 7.400 7.400 6.862 0.538 19582 140 1 2 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.602 0.198 19582 141 1 2 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.796 -1.496 19582 142 1 2 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.812 -0.112 19582 143 1 2 . 1 1 15 15 ILE H H 15 7.930 7.930 8.529 -0.599 19582 144 1 2 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.068 -0.148 19582 145 1 2 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.458 0.642 19582 146 1 2 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.239 -0.239 19582 147 1 2 . 1 1 16 16 LYS H H 16 7.880 7.880 7.551 0.329 19582 148 1 2 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.995 0.085 19582 149 1 2 . 1 1 17 17 LEU CA C 17 58.200 58.200 58.044 0.156 19582 150 1 2 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.502 0.198 19582 151 1 2 . 1 1 17 17 LEU H H 17 7.580 7.580 8.178 -0.598 19582 152 1 2 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.918 0.222 19582 153 1 2 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.449 -0.549 19582 154 1 2 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.078 -0.178 19582 155 1 2 . 1 1 18 18 PHE H H 18 8.140 8.140 7.818 0.322 19582 156 1 2 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.500 0.090 19582 157 1 2 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.304 -0.204 19582 158 1 2 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.853 0.047 19582 159 1 2 . 1 1 19 19 ILE H H 19 8.470 8.470 7.492 0.978 19582 160 1 2 . 1 1 20 20 MET HA H 20 4.130 4.130 4.104 0.026 19582 161 1 2 . 1 1 20 20 MET CA C 20 59.100 59.100 58.900 0.200 19582 162 1 2 . 1 1 20 20 MET CB C 20 32.600 32.600 32.420 0.180 19582 163 1 2 . 1 1 20 20 MET H H 20 8.110 8.110 8.026 0.084 19582 164 1 2 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.691 0.119 19582 165 1 2 . 1 1 21 21 ILE CA C 21 65.100 65.100 64.665 0.435 19582 166 1 2 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.853 0.447 19582 167 1 2 . 1 1 21 21 ILE H H 21 8.550 8.550 7.680 0.870 19582 168 1 2 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.505 0.095 19582 169 1 2 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.213 0.687 19582 170 1 2 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.430 0.770 19582 171 1 2 . 1 1 22 22 VAL H H 22 8.640 8.640 8.223 0.417 19582 172 1 2 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.285 -0.385 19582 173 1 2 . 1 1 23 23 GLY H H 23 8.320 8.320 8.585 -0.265 19582 174 1 2 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.574 2.026 19582 175 1 2 . 1 1 24 24 GLY H H 24 7.620 7.620 7.451 0.169 19582 176 1 2 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.353 -0.123 19582 177 1 2 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.270 -0.170 19582 178 1 2 . 1 1 25 25 LEU H H 25 8.050 8.050 7.635 0.415 19582 179 1 2 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.780 0.050 19582 180 1 2 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.034 0.266 19582 181 1 2 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.569 -0.569 19582 182 1 2 . 1 1 26 26 VAL H H 26 8.310 8.310 8.137 0.173 19582 183 1 2 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.196 0.024 19582 184 1 2 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.567 1.133 19582 185 1 2 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.359 0.141 19582 186 1 2 . 1 1 27 27 LYS H H 27 7.850 7.850 8.417 -0.567 19582 187 1 3 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.653 -0.223 19582 188 1 3 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.065 0.535 19582 189 1 3 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.544 -0.044 19582 190 1 3 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.553 -0.173 19582 191 1 3 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.469 1.231 19582 192 1 3 . 1 1 3 3 LYS CB C 3 33.300 33.300 34.143 -0.843 19582 193 1 3 . 1 1 3 3 LYS H H 3 8.380 8.380 8.396 -0.016 19582 194 1 3 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.450 0.050 19582 195 1 3 . 1 1 4 4 ASN H H 4 8.570 8.570 8.596 -0.026 19582 196 1 3 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.372 0.088 19582 197 1 3 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.266 -0.066 19582 198 1 3 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.613 0.587 19582 199 1 3 . 1 1 5 5 TRP H H 5 8.000 8.000 8.938 -0.938 19582 200 1 3 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.696 0.584 19582 201 1 3 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.693 -1.693 19582 202 1 3 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.398 0.102 19582 203 1 3 . 1 1 6 6 PHE H H 6 7.400 7.400 7.313 0.087 19582 204 1 3 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.494 0.096 19582 205 1 3 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.772 -2.072 19582 206 1 3 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.819 0.581 19582 207 1 3 . 1 1 7 7 ASP H H 7 7.860 7.860 7.908 -0.048 19582 208 1 3 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.117 -0.067 19582 209 1 3 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.391 2.010 19582 210 1 3 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.302 1.298 19582 211 1 3 . 1 1 8 8 ILE H H 8 7.840 7.840 7.315 0.525 19582 212 1 3 . 1 1 9 9 THR HA H 9 4.050 4.050 3.971 0.079 19582 213 1 3 . 1 1 9 9 THR CA C 9 64.000 64.000 66.500 -2.500 19582 214 1 3 . 1 1 9 9 THR CB C 9 69.100 69.100 68.203 0.897 19582 215 1 3 . 1 1 9 9 THR H H 9 8.080 8.080 8.425 -0.345 19582 216 1 3 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.567 0.083 19582 217 1 3 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.197 0.503 19582 218 1 3 . 1 1 10 10 ASN H H 10 7.930 7.930 7.623 0.307 19582 219 1 3 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.151 0.599 19582 220 1 3 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.329 0.171 19582 221 1 3 . 1 1 11 11 TRP H H 11 7.910 7.910 7.258 0.652 19582 222 1 3 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.905 0.145 19582 223 1 3 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.125 -0.225 19582 224 1 3 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.966 -0.166 19582 225 1 3 . 1 1 12 12 LEU H H 12 8.000 8.000 8.008 -0.008 19582 226 1 3 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.414 -0.164 19582 227 1 3 . 1 1 13 13 TRP CA C 13 60.300 60.300 58.756 1.544 19582 228 1 3 . 1 1 13 13 TRP CB C 13 28.700 28.700 28.836 -0.136 19582 229 1 3 . 1 1 13 13 TRP H H 13 7.850 7.850 7.418 0.432 19582 230 1 3 . 1 1 14 14 TYR HA H 14 4.050 4.050 3.531 0.519 19582 231 1 3 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.641 -0.341 19582 232 1 3 . 1 1 14 14 TYR H H 14 7.400 7.400 6.896 0.504 19582 233 1 3 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.653 0.147 19582 234 1 3 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.343 -1.043 19582 235 1 3 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.604 0.096 19582 236 1 3 . 1 1 15 15 ILE H H 15 7.930 7.930 8.637 -0.707 19582 237 1 3 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.103 -0.183 19582 238 1 3 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.364 0.736 19582 239 1 3 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.263 -0.263 19582 240 1 3 . 1 1 16 16 LYS H H 16 7.880 7.880 7.672 0.208 19582 241 1 3 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.980 0.100 19582 242 1 3 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.454 0.746 19582 243 1 3 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.575 0.124 19582 244 1 3 . 1 1 17 17 LEU H H 17 7.580 7.580 7.697 -0.117 19582 245 1 3 . 1 1 18 18 PHE HA H 18 4.140 4.140 4.072 0.068 19582 246 1 3 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.937 -0.037 19582 247 1 3 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.159 -0.259 19582 248 1 3 . 1 1 18 18 PHE H H 18 8.140 8.140 7.655 0.485 19582 249 1 3 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.501 0.089 19582 250 1 3 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.349 -0.249 19582 251 1 3 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.852 0.048 19582 252 1 3 . 1 1 19 19 ILE H H 19 8.470 8.470 7.529 0.941 19582 253 1 3 . 1 1 20 20 MET HA H 20 4.130 4.130 4.106 0.024 19582 254 1 3 . 1 1 20 20 MET CA C 20 59.100 59.100 58.872 0.228 19582 255 1 3 . 1 1 20 20 MET CB C 20 32.600 32.600 32.362 0.238 19582 256 1 3 . 1 1 20 20 MET H H 20 8.110 8.110 7.753 0.357 19582 257 1 3 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.691 0.119 19582 258 1 3 . 1 1 21 21 ILE CA C 21 65.100 65.100 64.703 0.397 19582 259 1 3 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.844 0.456 19582 260 1 3 . 1 1 21 21 ILE H H 21 8.550 8.550 7.649 0.901 19582 261 1 3 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.497 0.103 19582 262 1 3 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.244 0.656 19582 263 1 3 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.409 0.791 19582 264 1 3 . 1 1 22 22 VAL H H 22 8.640 8.640 8.338 0.302 19582 265 1 3 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.034 -0.134 19582 266 1 3 . 1 1 23 23 GLY H H 23 8.320 8.320 8.596 -0.276 19582 267 1 3 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.708 1.892 19582 268 1 3 . 1 1 24 24 GLY H H 24 7.620 7.620 7.576 0.044 19582 269 1 3 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.457 -0.227 19582 270 1 3 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.484 -0.384 19582 271 1 3 . 1 1 25 25 LEU H H 25 8.050 8.050 7.743 0.307 19582 272 1 3 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.749 0.081 19582 273 1 3 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.602 -0.302 19582 274 1 3 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.245 -0.245 19582 275 1 3 . 1 1 26 26 VAL H H 26 8.310 8.310 8.417 -0.107 19582 276 1 3 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.294 -0.074 19582 277 1 3 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.808 0.892 19582 278 1 3 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.269 0.231 19582 279 1 3 . 1 1 27 27 LYS H H 27 7.850 7.850 8.494 -0.644 19582 280 1 4 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.522 -0.092 19582 281 1 4 . 1 1 2 2 LYS CA C 2 56.600 56.600 55.988 0.612 19582 282 1 4 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.116 0.384 19582 283 1 4 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.585 -0.205 19582 284 1 4 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.444 0.256 19582 285 1 4 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.445 -0.145 19582 286 1 4 . 1 1 3 3 LYS H H 3 8.380 8.380 8.377 0.003 19582 287 1 4 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.517 -1.017 19582 288 1 4 . 1 1 4 4 ASN H H 4 8.570 8.570 8.077 0.493 19582 289 1 4 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.519 -0.059 19582 290 1 4 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.983 0.217 19582 291 1 4 . 1 1 5 5 TRP CB C 5 29.200 29.200 29.094 0.106 19582 292 1 4 . 1 1 5 5 TRP H H 5 8.000 8.000 9.066 -1.066 19582 293 1 4 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.793 0.486 19582 294 1 4 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.289 -1.289 19582 295 1 4 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.677 -0.177 19582 296 1 4 . 1 1 6 6 PHE H H 6 7.400 7.400 7.074 0.326 19582 297 1 4 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.496 0.094 19582 298 1 4 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.223 -1.523 19582 299 1 4 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.578 0.823 19582 300 1 4 . 1 1 7 7 ASP H H 7 7.860 7.860 7.694 0.166 19582 301 1 4 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.061 -0.011 19582 302 1 4 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.145 2.255 19582 303 1 4 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.649 1.951 19582 304 1 4 . 1 1 8 8 ILE H H 8 7.840 7.840 7.504 0.336 19582 305 1 4 . 1 1 9 9 THR HA H 9 4.050 4.050 3.931 0.119 19582 306 1 4 . 1 1 9 9 THR CA C 9 64.000 64.000 66.118 -2.118 19582 307 1 4 . 1 1 9 9 THR CB C 9 69.100 69.100 68.361 0.739 19582 308 1 4 . 1 1 9 9 THR H H 9 8.080 8.080 7.714 0.366 19582 309 1 4 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.557 0.093 19582 310 1 4 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.624 0.076 19582 311 1 4 . 1 1 10 10 ASN H H 10 7.930 7.930 7.650 0.280 19582 312 1 4 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.485 0.265 19582 313 1 4 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.418 0.082 19582 314 1 4 . 1 1 11 11 TRP H H 11 7.910 7.910 7.577 0.333 19582 315 1 4 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.997 0.053 19582 316 1 4 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.385 -0.485 19582 317 1 4 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.727 0.073 19582 318 1 4 . 1 1 12 12 LEU H H 12 8.000 8.000 7.960 0.040 19582 319 1 4 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.228 0.022 19582 320 1 4 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.236 -1.936 19582 321 1 4 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.259 -0.559 19582 322 1 4 . 1 1 13 13 TRP H H 13 7.850 7.850 7.587 0.263 19582 323 1 4 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.158 -0.108 19582 324 1 4 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.962 -0.662 19582 325 1 4 . 1 1 14 14 TYR H H 14 7.400 7.400 7.833 -0.433 19582 326 1 4 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.562 0.238 19582 327 1 4 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.813 -1.513 19582 328 1 4 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.881 -0.181 19582 329 1 4 . 1 1 15 15 ILE H H 15 7.930 7.930 8.197 -0.267 19582 330 1 4 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.033 -0.113 19582 331 1 4 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.649 1.451 19582 332 1 4 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.155 -0.155 19582 333 1 4 . 1 1 16 16 LYS H H 16 7.880 7.880 8.077 -0.197 19582 334 1 4 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.742 0.338 19582 335 1 4 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.705 0.495 19582 336 1 4 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.277 0.423 19582 337 1 4 . 1 1 17 17 LEU H H 17 7.580 7.580 7.797 -0.217 19582 338 1 4 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.854 0.286 19582 339 1 4 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.400 -0.500 19582 340 1 4 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.997 -0.097 19582 341 1 4 . 1 1 18 18 PHE H H 18 8.140 8.140 8.018 0.122 19582 342 1 4 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.461 0.129 19582 343 1 4 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.331 -0.231 19582 344 1 4 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.848 0.052 19582 345 1 4 . 1 1 19 19 ILE H H 19 8.470 8.470 7.506 0.964 19582 346 1 4 . 1 1 20 20 MET HA H 20 4.130 4.130 4.035 0.095 19582 347 1 4 . 1 1 20 20 MET CA C 20 59.100 59.100 58.850 0.250 19582 348 1 4 . 1 1 20 20 MET CB C 20 32.600 32.600 32.273 0.327 19582 349 1 4 . 1 1 20 20 MET H H 20 8.110 8.110 7.783 0.327 19582 350 1 4 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.622 0.188 19582 351 1 4 . 1 1 21 21 ILE CA C 21 65.100 65.100 64.763 0.337 19582 352 1 4 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.845 0.455 19582 353 1 4 . 1 1 21 21 ILE H H 21 8.550 8.550 7.557 0.993 19582 354 1 4 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.390 0.210 19582 355 1 4 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.585 0.315 19582 356 1 4 . 1 1 22 22 VAL CB C 22 31.200 31.200 31.113 0.087 19582 357 1 4 . 1 1 22 22 VAL H H 22 8.640 8.640 8.168 0.472 19582 358 1 4 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.293 -0.393 19582 359 1 4 . 1 1 23 23 GLY H H 23 8.320 8.320 8.557 -0.237 19582 360 1 4 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.685 1.915 19582 361 1 4 . 1 1 24 24 GLY H H 24 7.620 7.620 7.462 0.158 19582 362 1 4 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.440 -0.210 19582 363 1 4 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.334 -0.234 19582 364 1 4 . 1 1 25 25 LEU H H 25 8.050 8.050 7.624 0.426 19582 365 1 4 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.727 0.103 19582 366 1 4 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.100 0.200 19582 367 1 4 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.159 -0.159 19582 368 1 4 . 1 1 26 26 VAL H H 26 8.310 8.310 8.255 0.055 19582 369 1 4 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.188 0.032 19582 370 1 4 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.667 1.032 19582 371 1 4 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.351 0.149 19582 372 1 4 . 1 1 27 27 LYS H H 27 7.850 7.850 8.392 -0.542 19582 373 1 5 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.224 0.206 19582 374 1 5 . 1 1 2 2 LYS CA C 2 56.600 56.600 57.096 -0.496 19582 375 1 5 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.061 1.439 19582 376 1 5 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.479 -0.099 19582 377 1 5 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.240 0.460 19582 378 1 5 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.950 -0.650 19582 379 1 5 . 1 1 3 3 LYS H H 3 8.380 8.380 8.603 -0.223 19582 380 1 5 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.718 -1.218 19582 381 1 5 . 1 1 4 4 ASN H H 4 8.570 8.570 8.239 0.331 19582 382 1 5 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.485 -0.025 19582 383 1 5 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.140 0.060 19582 384 1 5 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.962 0.238 19582 385 1 5 . 1 1 5 5 TRP H H 5 8.000 8.000 8.967 -0.967 19582 386 1 5 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.628 0.652 19582 387 1 5 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.311 -1.311 19582 388 1 5 . 1 1 6 6 PHE CB C 6 38.500 38.500 37.904 0.596 19582 389 1 5 . 1 1 6 6 PHE H H 6 7.400 7.400 7.303 0.097 19582 390 1 5 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.675 -0.085 19582 391 1 5 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.595 -0.895 19582 392 1 5 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.933 -0.533 19582 393 1 5 . 1 1 7 7 ASP H H 7 7.860 7.860 7.796 0.064 19582 394 1 5 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.952 0.098 19582 395 1 5 . 1 1 8 8 ILE CA C 8 65.400 65.400 64.282 1.118 19582 396 1 5 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.036 1.564 19582 397 1 5 . 1 1 8 8 ILE H H 8 7.840 7.840 7.674 0.166 19582 398 1 5 . 1 1 9 9 THR HA H 9 4.050 4.050 4.035 0.015 19582 399 1 5 . 1 1 9 9 THR CA C 9 64.000 64.000 66.828 -2.828 19582 400 1 5 . 1 1 9 9 THR CB C 9 69.100 69.100 68.614 0.486 19582 401 1 5 . 1 1 9 9 THR H H 9 8.080 8.080 8.721 -0.641 19582 402 1 5 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.466 0.184 19582 403 1 5 . 1 1 10 10 ASN CB C 10 38.700 38.700 37.817 0.883 19582 404 1 5 . 1 1 10 10 ASN H H 10 7.930 7.930 7.606 0.324 19582 405 1 5 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.460 0.290 19582 406 1 5 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.555 -0.055 19582 407 1 5 . 1 1 11 11 TRP H H 11 7.910 7.910 7.840 0.070 19582 408 1 5 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.058 -0.008 19582 409 1 5 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.580 -0.680 19582 410 1 5 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.964 -0.164 19582 411 1 5 . 1 1 12 12 LEU H H 12 8.000 8.000 8.867 -0.867 19582 412 1 5 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.303 -0.053 19582 413 1 5 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.208 -1.908 19582 414 1 5 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.293 -0.593 19582 415 1 5 . 1 1 13 13 TRP H H 13 7.850 7.850 7.808 0.042 19582 416 1 5 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.146 -0.096 19582 417 1 5 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.138 -0.838 19582 418 1 5 . 1 1 14 14 TYR H H 14 7.400 7.400 7.975 -0.575 19582 419 1 5 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.589 0.211 19582 420 1 5 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.768 -0.468 19582 421 1 5 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.689 0.011 19582 422 1 5 . 1 1 15 15 ILE H H 15 7.930 7.930 7.725 0.205 19582 423 1 5 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.966 -0.046 19582 424 1 5 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.165 0.935 19582 425 1 5 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.912 0.088 19582 426 1 5 . 1 1 16 16 LYS H H 16 7.880 7.880 8.038 -0.158 19582 427 1 5 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.727 0.353 19582 428 1 5 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.722 0.478 19582 429 1 5 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.518 0.182 19582 430 1 5 . 1 1 17 17 LEU H H 17 7.580 7.580 8.021 -0.441 19582 431 1 5 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.991 0.149 19582 432 1 5 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.383 0.517 19582 433 1 5 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.881 0.019 19582 434 1 5 . 1 1 18 18 PHE H H 18 8.140 8.140 7.422 0.718 19582 435 1 5 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.311 0.279 19582 436 1 5 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.357 -0.257 19582 437 1 5 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.767 0.133 19582 438 1 5 . 1 1 19 19 ILE H H 19 8.470 8.470 7.875 0.595 19582 439 1 5 . 1 1 20 20 MET HA H 20 4.130 4.130 4.044 0.086 19582 440 1 5 . 1 1 20 20 MET CA C 20 59.100 59.100 58.833 0.267 19582 441 1 5 . 1 1 20 20 MET CB C 20 32.600 32.600 32.334 0.266 19582 442 1 5 . 1 1 20 20 MET H H 20 8.110 8.110 8.002 0.108 19582 443 1 5 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.650 0.160 19582 444 1 5 . 1 1 21 21 ILE CA C 21 65.100 65.100 64.742 0.358 19582 445 1 5 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.960 0.340 19582 446 1 5 . 1 1 21 21 ILE H H 21 8.550 8.550 7.548 1.002 19582 447 1 5 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.354 0.246 19582 448 1 5 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.550 0.350 19582 449 1 5 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.946 0.254 19582 450 1 5 . 1 1 22 22 VAL H H 22 8.640 8.640 8.206 0.434 19582 451 1 5 . 1 1 23 23 GLY CA C 23 46.900 46.900 46.984 -0.084 19582 452 1 5 . 1 1 23 23 GLY H H 23 8.320 8.320 8.461 -0.141 19582 453 1 5 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.618 1.982 19582 454 1 5 . 1 1 24 24 GLY H H 24 7.620 7.620 7.482 0.138 19582 455 1 5 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.427 -0.197 19582 456 1 5 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.468 -0.368 19582 457 1 5 . 1 1 25 25 LEU H H 25 8.050 8.050 7.489 0.561 19582 458 1 5 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.628 0.202 19582 459 1 5 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.772 -0.471 19582 460 1 5 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.904 0.096 19582 461 1 5 . 1 1 26 26 VAL H H 26 8.310 8.310 8.371 -0.061 19582 462 1 5 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.233 -0.013 19582 463 1 5 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.158 1.542 19582 464 1 5 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.492 0.008 19582 465 1 5 . 1 1 27 27 LYS H H 27 7.850 7.850 8.235 -0.385 19582 466 1 6 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.380 0.050 19582 467 1 6 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.529 0.071 19582 468 1 6 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.994 0.506 19582 469 1 6 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.308 0.072 19582 470 1 6 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.136 0.564 19582 471 1 6 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.080 0.221 19582 472 1 6 . 1 1 3 3 LYS H H 3 8.380 8.380 7.704 0.676 19582 473 1 6 . 1 1 4 4 ASN CB C 4 39.500 39.500 38.608 0.892 19582 474 1 6 . 1 1 4 4 ASN H H 4 8.570 8.570 8.709 -0.139 19582 475 1 6 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.374 0.086 19582 476 1 6 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.090 0.110 19582 477 1 6 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.691 0.509 19582 478 1 6 . 1 1 5 5 TRP H H 5 8.000 8.000 8.918 -0.918 19582 479 1 6 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.502 0.778 19582 480 1 6 . 1 1 6 6 PHE CA C 6 59.000 59.000 61.072 -2.072 19582 481 1 6 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.605 -0.105 19582 482 1 6 . 1 1 6 6 PHE H H 6 7.400 7.400 7.490 -0.090 19582 483 1 6 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.552 0.038 19582 484 1 6 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.522 -1.822 19582 485 1 6 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.241 0.159 19582 486 1 6 . 1 1 7 7 ASP H H 7 7.860 7.860 7.900 -0.040 19582 487 1 6 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.156 -0.106 19582 488 1 6 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.484 1.916 19582 489 1 6 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.017 1.583 19582 490 1 6 . 1 1 8 8 ILE H H 8 7.840 7.840 7.441 0.399 19582 491 1 6 . 1 1 9 9 THR HA H 9 4.050 4.050 4.006 0.044 19582 492 1 6 . 1 1 9 9 THR CA C 9 64.000 64.000 66.752 -2.752 19582 493 1 6 . 1 1 9 9 THR CB C 9 69.100 69.100 67.893 1.207 19582 494 1 6 . 1 1 9 9 THR H H 9 8.080 8.080 8.587 -0.507 19582 495 1 6 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.497 0.153 19582 496 1 6 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.242 0.458 19582 497 1 6 . 1 1 10 10 ASN H H 10 7.930 7.930 7.789 0.141 19582 498 1 6 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.441 0.309 19582 499 1 6 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.334 0.166 19582 500 1 6 . 1 1 11 11 TRP H H 11 7.910 7.910 7.516 0.394 19582 501 1 6 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.025 0.025 19582 502 1 6 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.245 -0.345 19582 503 1 6 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.877 -0.077 19582 504 1 6 . 1 1 12 12 LEU H H 12 8.000 8.000 7.774 0.226 19582 505 1 6 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.301 -0.051 19582 506 1 6 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.629 -1.329 19582 507 1 6 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.506 -0.806 19582 508 1 6 . 1 1 13 13 TRP H H 13 7.850 7.850 8.423 -0.573 19582 509 1 6 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.116 -0.066 19582 510 1 6 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.772 -0.472 19582 511 1 6 . 1 1 14 14 TYR H H 14 7.400 7.400 7.963 -0.563 19582 512 1 6 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.623 0.177 19582 513 1 6 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.111 -0.811 19582 514 1 6 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.625 0.075 19582 515 1 6 . 1 1 15 15 ILE H H 15 7.930 7.930 7.647 0.283 19582 516 1 6 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.043 -0.123 19582 517 1 6 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.678 1.421 19582 518 1 6 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.980 0.020 19582 519 1 6 . 1 1 16 16 LYS H H 16 7.880 7.880 7.445 0.435 19582 520 1 6 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.778 0.302 19582 521 1 6 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.474 0.726 19582 522 1 6 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.034 0.666 19582 523 1 6 . 1 1 17 17 LEU H H 17 7.580 7.580 7.339 0.241 19582 524 1 6 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.851 0.289 19582 525 1 6 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.268 -0.368 19582 526 1 6 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.787 0.113 19582 527 1 6 . 1 1 18 18 PHE H H 18 8.140 8.140 7.920 0.220 19582 528 1 6 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.440 0.150 19582 529 1 6 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.162 -0.062 19582 530 1 6 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.722 0.178 19582 531 1 6 . 1 1 19 19 ILE H H 19 8.470 8.470 7.435 1.035 19582 532 1 6 . 1 1 20 20 MET HA H 20 4.130 4.130 3.976 0.154 19582 533 1 6 . 1 1 20 20 MET CA C 20 59.100 59.100 58.922 0.178 19582 534 1 6 . 1 1 20 20 MET CB C 20 32.600 32.600 32.246 0.354 19582 535 1 6 . 1 1 20 20 MET H H 20 8.110 8.110 7.455 0.655 19582 536 1 6 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.610 0.200 19582 537 1 6 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.250 -0.150 19582 538 1 6 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.725 0.575 19582 539 1 6 . 1 1 21 21 ILE H H 21 8.550 8.550 8.392 0.158 19582 540 1 6 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.546 0.054 19582 541 1 6 . 1 1 22 22 VAL CA C 22 66.900 66.900 65.947 0.953 19582 542 1 6 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.189 1.011 19582 543 1 6 . 1 1 22 22 VAL H H 22 8.640 8.640 8.264 0.376 19582 544 1 6 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.333 -0.433 19582 545 1 6 . 1 1 23 23 GLY H H 23 8.320 8.320 8.233 0.087 19582 546 1 6 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.920 1.680 19582 547 1 6 . 1 1 24 24 GLY H H 24 7.620 7.620 7.267 0.353 19582 548 1 6 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.367 -0.137 19582 549 1 6 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.492 -0.392 19582 550 1 6 . 1 1 25 25 LEU H H 25 8.050 8.050 7.659 0.391 19582 551 1 6 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.652 0.178 19582 552 1 6 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.410 -0.110 19582 553 1 6 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.069 -0.069 19582 554 1 6 . 1 1 26 26 VAL H H 26 8.310 8.310 8.338 -0.028 19582 555 1 6 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.186 0.034 19582 556 1 6 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.654 1.046 19582 557 1 6 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.435 0.065 19582 558 1 6 . 1 1 27 27 LYS H H 27 7.850 7.850 8.359 -0.509 19582 559 1 7 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.555 -0.125 19582 560 1 7 . 1 1 2 2 LYS CA C 2 56.600 56.600 55.928 0.672 19582 561 1 7 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.199 0.301 19582 562 1 7 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.386 -0.006 19582 563 1 7 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.479 0.221 19582 564 1 7 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.724 -0.424 19582 565 1 7 . 1 1 3 3 LYS H H 3 8.380 8.380 8.789 -0.409 19582 566 1 7 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.097 -0.597 19582 567 1 7 . 1 1 4 4 ASN H H 4 8.570 8.570 7.809 0.761 19582 568 1 7 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.412 0.048 19582 569 1 7 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.516 -0.316 19582 570 1 7 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.888 0.312 19582 571 1 7 . 1 1 5 5 TRP H H 5 8.000 8.000 8.774 -0.774 19582 572 1 7 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.708 0.572 19582 573 1 7 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.816 -1.816 19582 574 1 7 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.559 -0.059 19582 575 1 7 . 1 1 6 6 PHE H H 6 7.400 7.400 7.162 0.238 19582 576 1 7 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.418 0.172 19582 577 1 7 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.348 -1.648 19582 578 1 7 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.579 -0.179 19582 579 1 7 . 1 1 7 7 ASP H H 7 7.860 7.860 7.882 -0.022 19582 580 1 7 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.062 -0.012 19582 581 1 7 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.443 1.957 19582 582 1 7 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.879 1.721 19582 583 1 7 . 1 1 8 8 ILE H H 8 7.840 7.840 7.428 0.412 19582 584 1 7 . 1 1 9 9 THR HA H 9 4.050 4.050 4.001 0.049 19582 585 1 7 . 1 1 9 9 THR CA C 9 64.000 64.000 66.534 -2.534 19582 586 1 7 . 1 1 9 9 THR CB C 9 69.100 69.100 68.450 0.650 19582 587 1 7 . 1 1 9 9 THR H H 9 8.080 8.080 8.325 -0.245 19582 588 1 7 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.442 0.208 19582 589 1 7 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.031 0.669 19582 590 1 7 . 1 1 10 10 ASN H H 10 7.930 7.930 7.712 0.218 19582 591 1 7 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.436 0.314 19582 592 1 7 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.429 0.071 19582 593 1 7 . 1 1 11 11 TRP H H 11 7.910 7.910 7.560 0.350 19582 594 1 7 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.971 0.079 19582 595 1 7 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.099 -0.199 19582 596 1 7 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.536 0.264 19582 597 1 7 . 1 1 12 12 LEU H H 12 8.000 8.000 8.250 -0.250 19582 598 1 7 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.244 0.006 19582 599 1 7 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.592 -2.292 19582 600 1 7 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.281 -0.581 19582 601 1 7 . 1 1 13 13 TRP H H 13 7.850 7.850 7.939 -0.089 19582 602 1 7 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.119 -0.069 19582 603 1 7 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.847 -0.547 19582 604 1 7 . 1 1 14 14 TYR H H 14 7.400 7.400 7.722 -0.322 19582 605 1 7 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.642 0.158 19582 606 1 7 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.217 -0.917 19582 607 1 7 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.912 -0.212 19582 608 1 7 . 1 1 15 15 ILE H H 15 7.930 7.930 7.721 0.209 19582 609 1 7 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.959 -0.039 19582 610 1 7 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.129 0.971 19582 611 1 7 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.835 0.165 19582 612 1 7 . 1 1 16 16 LYS H H 16 7.880 7.880 8.131 -0.251 19582 613 1 7 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.759 0.321 19582 614 1 7 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.616 0.584 19582 615 1 7 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.449 0.251 19582 616 1 7 . 1 1 17 17 LEU H H 17 7.580 7.580 7.751 -0.171 19582 617 1 7 . 1 1 18 18 PHE HA H 18 4.140 4.140 4.016 0.124 19582 618 1 7 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.408 0.492 19582 619 1 7 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.969 -0.070 19582 620 1 7 . 1 1 18 18 PHE H H 18 8.140 8.140 7.399 0.741 19582 621 1 7 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.324 0.267 19582 622 1 7 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.342 -0.242 19582 623 1 7 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.778 0.122 19582 624 1 7 . 1 1 19 19 ILE H H 19 8.470 8.470 7.899 0.571 19582 625 1 7 . 1 1 20 20 MET HA H 20 4.130 4.130 4.038 0.092 19582 626 1 7 . 1 1 20 20 MET CA C 20 59.100 59.100 58.840 0.259 19582 627 1 7 . 1 1 20 20 MET CB C 20 32.600 32.600 32.322 0.279 19582 628 1 7 . 1 1 20 20 MET H H 20 8.110 8.110 7.948 0.162 19582 629 1 7 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.643 0.167 19582 630 1 7 . 1 1 21 21 ILE CA C 21 65.100 65.100 64.870 0.230 19582 631 1 7 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.916 0.384 19582 632 1 7 . 1 1 21 21 ILE H H 21 8.550 8.550 7.522 1.028 19582 633 1 7 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.368 0.232 19582 634 1 7 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.510 0.390 19582 635 1 7 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.886 0.314 19582 636 1 7 . 1 1 22 22 VAL H H 22 8.640 8.640 8.204 0.436 19582 637 1 7 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.058 -0.158 19582 638 1 7 . 1 1 23 23 GLY H H 23 8.320 8.320 8.500 -0.180 19582 639 1 7 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.754 1.846 19582 640 1 7 . 1 1 24 24 GLY H H 24 7.620 7.620 7.523 0.097 19582 641 1 7 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.221 0.009 19582 642 1 7 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.260 -0.160 19582 643 1 7 . 1 1 25 25 LEU H H 25 8.050 8.050 7.827 0.223 19582 644 1 7 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.661 0.169 19582 645 1 7 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.419 -0.119 19582 646 1 7 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.121 -0.121 19582 647 1 7 . 1 1 26 26 VAL H H 26 8.310 8.310 8.350 -0.040 19582 648 1 7 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.261 -0.041 19582 649 1 7 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.659 1.041 19582 650 1 7 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.447 0.053 19582 651 1 7 . 1 1 27 27 LYS H H 27 7.850 7.850 8.352 -0.502 19582 652 1 8 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.196 0.234 19582 653 1 8 . 1 1 2 2 LYS CA C 2 56.600 56.600 57.175 -0.575 19582 654 1 8 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.439 1.061 19582 655 1 8 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.628 -0.248 19582 656 1 8 . 1 1 3 3 LYS CA C 3 56.700 56.700 54.523 2.177 19582 657 1 8 . 1 1 3 3 LYS CB C 3 33.300 33.300 35.520 -2.220 19582 658 1 8 . 1 1 3 3 LYS H H 3 8.380 8.380 8.313 0.067 19582 659 1 8 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.264 0.236 19582 660 1 8 . 1 1 4 4 ASN H H 4 8.570 8.570 8.601 -0.031 19582 661 1 8 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.436 0.024 19582 662 1 8 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.294 0.906 19582 663 1 8 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.825 0.375 19582 664 1 8 . 1 1 5 5 TRP H H 5 8.000 8.000 8.624 -0.624 19582 665 1 8 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.546 0.734 19582 666 1 8 . 1 1 6 6 PHE CA C 6 59.000 59.000 61.383 -2.383 19582 667 1 8 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.465 0.035 19582 668 1 8 . 1 1 6 6 PHE H H 6 7.400 7.400 6.997 0.403 19582 669 1 8 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.499 0.091 19582 670 1 8 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.411 -1.711 19582 671 1 8 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.154 0.246 19582 672 1 8 . 1 1 7 7 ASP H H 7 7.860 7.860 7.838 0.022 19582 673 1 8 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.148 -0.098 19582 674 1 8 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.512 1.888 19582 675 1 8 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.698 1.902 19582 676 1 8 . 1 1 8 8 ILE H H 8 7.840 7.840 7.627 0.213 19582 677 1 8 . 1 1 9 9 THR HA H 9 4.050 4.050 3.994 0.056 19582 678 1 8 . 1 1 9 9 THR CA C 9 64.000 64.000 66.731 -2.731 19582 679 1 8 . 1 1 9 9 THR CB C 9 69.100 69.100 68.421 0.679 19582 680 1 8 . 1 1 9 9 THR H H 9 8.080 8.080 8.002 0.078 19582 681 1 8 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.471 0.179 19582 682 1 8 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.507 0.193 19582 683 1 8 . 1 1 10 10 ASN H H 10 7.930 7.930 7.692 0.238 19582 684 1 8 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.482 0.268 19582 685 1 8 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.541 -0.041 19582 686 1 8 . 1 1 11 11 TRP H H 11 7.910 7.910 7.505 0.405 19582 687 1 8 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.029 0.021 19582 688 1 8 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.962 -0.062 19582 689 1 8 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.753 0.047 19582 690 1 8 . 1 1 12 12 LEU H H 12 8.000 8.000 8.504 -0.504 19582 691 1 8 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.344 -0.094 19582 692 1 8 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.640 -1.340 19582 693 1 8 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.645 -0.945 19582 694 1 8 . 1 1 13 13 TRP H H 13 7.850 7.850 8.234 -0.384 19582 695 1 8 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.254 -0.204 19582 696 1 8 . 1 1 14 14 TYR CA C 14 61.300 61.300 60.569 0.731 19582 697 1 8 . 1 1 14 14 TYR H H 14 7.400 7.400 7.741 -0.341 19582 698 1 8 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.399 0.401 19582 699 1 8 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.945 -0.645 19582 700 1 8 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.535 0.165 19582 701 1 8 . 1 1 15 15 ILE H H 15 7.930 7.930 7.534 0.396 19582 702 1 8 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.001 -0.081 19582 703 1 8 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.945 1.155 19582 704 1 8 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.805 0.195 19582 705 1 8 . 1 1 16 16 LYS H H 16 7.880 7.880 7.478 0.402 19582 706 1 8 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.881 0.199 19582 707 1 8 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.748 0.452 19582 708 1 8 . 1 1 17 17 LEU CB C 17 41.700 41.700 40.961 0.739 19582 709 1 8 . 1 1 17 17 LEU H H 17 7.580 7.580 7.297 0.283 19582 710 1 8 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.945 0.195 19582 711 1 8 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.520 -0.620 19582 712 1 8 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.545 0.355 19582 713 1 8 . 1 1 18 18 PHE H H 18 8.140 8.140 7.654 0.486 19582 714 1 8 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.556 0.034 19582 715 1 8 . 1 1 19 19 ILE CA C 19 65.100 65.100 64.918 0.182 19582 716 1 8 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.753 0.147 19582 717 1 8 . 1 1 19 19 ILE H H 19 8.470 8.470 7.365 1.105 19582 718 1 8 . 1 1 20 20 MET HA H 20 4.130 4.130 4.018 0.112 19582 719 1 8 . 1 1 20 20 MET CA C 20 59.100 59.100 58.687 0.413 19582 720 1 8 . 1 1 20 20 MET CB C 20 32.600 32.600 32.133 0.467 19582 721 1 8 . 1 1 20 20 MET H H 20 8.110 8.110 7.411 0.699 19582 722 1 8 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.622 0.188 19582 723 1 8 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.340 -0.240 19582 724 1 8 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.662 0.638 19582 725 1 8 . 1 1 21 21 ILE H H 21 8.550 8.550 8.449 0.101 19582 726 1 8 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.523 0.077 19582 727 1 8 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.571 0.329 19582 728 1 8 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.651 0.549 19582 729 1 8 . 1 1 22 22 VAL H H 22 8.640 8.640 8.163 0.477 19582 730 1 8 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.201 -0.301 19582 731 1 8 . 1 1 23 23 GLY H H 23 8.320 8.320 8.191 0.129 19582 732 1 8 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.661 1.939 19582 733 1 8 . 1 1 24 24 GLY H H 24 7.620 7.620 7.302 0.318 19582 734 1 8 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.524 -0.294 19582 735 1 8 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.487 -0.387 19582 736 1 8 . 1 1 25 25 LEU H H 25 8.050 8.050 7.690 0.360 19582 737 1 8 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.712 0.118 19582 738 1 8 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.757 -0.457 19582 739 1 8 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.738 0.261 19582 740 1 8 . 1 1 26 26 VAL H H 26 8.310 8.310 8.427 -0.117 19582 741 1 8 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.286 -0.066 19582 742 1 8 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.597 1.103 19582 743 1 8 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.232 0.268 19582 744 1 8 . 1 1 27 27 LYS H H 27 7.850 7.850 8.523 -0.673 19582 745 1 9 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.381 0.049 19582 746 1 9 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.547 0.053 19582 747 1 9 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.288 1.212 19582 748 1 9 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.583 -0.203 19582 749 1 9 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.120 1.580 19582 750 1 9 . 1 1 3 3 LYS CB C 3 33.300 33.300 35.170 -1.870 19582 751 1 9 . 1 1 3 3 LYS H H 3 8.380 8.380 8.117 0.263 19582 752 1 9 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.104 0.396 19582 753 1 9 . 1 1 4 4 ASN H H 4 8.570 8.570 8.739 -0.169 19582 754 1 9 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.372 0.088 19582 755 1 9 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.528 -0.328 19582 756 1 9 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.774 0.426 19582 757 1 9 . 1 1 5 5 TRP H H 5 8.000 8.000 9.006 -1.006 19582 758 1 9 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.568 0.712 19582 759 1 9 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.683 -1.683 19582 760 1 9 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.605 -0.105 19582 761 1 9 . 1 1 6 6 PHE H H 6 7.400 7.400 7.432 -0.032 19582 762 1 9 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.521 0.069 19582 763 1 9 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.530 -1.830 19582 764 1 9 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.321 0.079 19582 765 1 9 . 1 1 7 7 ASP H H 7 7.860 7.860 7.860 0.000 19582 766 1 9 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.986 0.064 19582 767 1 9 . 1 1 8 8 ILE CA C 8 65.400 65.400 64.026 1.374 19582 768 1 9 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.074 1.526 19582 769 1 9 . 1 1 8 8 ILE H H 8 7.840 7.840 7.730 0.110 19582 770 1 9 . 1 1 9 9 THR HA H 9 4.050 4.050 3.997 0.053 19582 771 1 9 . 1 1 9 9 THR CA C 9 64.000 64.000 66.678 -2.678 19582 772 1 9 . 1 1 9 9 THR CB C 9 69.100 69.100 68.217 0.883 19582 773 1 9 . 1 1 9 9 THR H H 9 8.080 8.080 8.660 -0.580 19582 774 1 9 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.291 0.359 19582 775 1 9 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.326 0.374 19582 776 1 9 . 1 1 10 10 ASN H H 10 7.930 7.930 7.517 0.413 19582 777 1 9 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.544 0.206 19582 778 1 9 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.662 -0.162 19582 779 1 9 . 1 1 11 11 TRP H H 11 7.910 7.910 7.604 0.306 19582 780 1 9 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.086 -0.036 19582 781 1 9 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.897 0.003 19582 782 1 9 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.968 -0.168 19582 783 1 9 . 1 1 12 12 LEU H H 12 8.000 8.000 8.505 -0.505 19582 784 1 9 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.269 -0.019 19582 785 1 9 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.127 -1.827 19582 786 1 9 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.385 -0.685 19582 787 1 9 . 1 1 13 13 TRP H H 13 7.850 7.850 8.444 -0.594 19582 788 1 9 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.217 -0.167 19582 789 1 9 . 1 1 14 14 TYR CA C 14 61.300 61.300 60.889 0.411 19582 790 1 9 . 1 1 14 14 TYR H H 14 7.400 7.400 7.886 -0.486 19582 791 1 9 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.550 0.250 19582 792 1 9 . 1 1 15 15 ILE CA C 15 64.300 64.300 63.475 0.825 19582 793 1 9 . 1 1 15 15 ILE CB C 15 37.700 37.700 36.813 0.887 19582 794 1 9 . 1 1 15 15 ILE H H 15 7.930 7.930 7.778 0.152 19582 795 1 9 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.996 -0.076 19582 796 1 9 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.015 1.085 19582 797 1 9 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.026 -0.026 19582 798 1 9 . 1 1 16 16 LYS H H 16 7.880 7.880 7.326 0.554 19582 799 1 9 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.848 0.232 19582 800 1 9 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.819 0.381 19582 801 1 9 . 1 1 17 17 LEU CB C 17 41.700 41.700 40.853 0.847 19582 802 1 9 . 1 1 17 17 LEU H H 17 7.580 7.580 7.233 0.347 19582 803 1 9 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.942 0.198 19582 804 1 9 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.052 -0.152 19582 805 1 9 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.688 0.212 19582 806 1 9 . 1 1 18 18 PHE H H 18 8.140 8.140 7.597 0.543 19582 807 1 9 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.395 0.195 19582 808 1 9 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.192 -0.091 19582 809 1 9 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.657 0.243 19582 810 1 9 . 1 1 19 19 ILE H H 19 8.470 8.470 7.394 1.076 19582 811 1 9 . 1 1 20 20 MET HA H 20 4.130 4.130 3.978 0.152 19582 812 1 9 . 1 1 20 20 MET CA C 20 59.100 59.100 59.219 -0.119 19582 813 1 9 . 1 1 20 20 MET CB C 20 32.600 32.600 32.550 0.050 19582 814 1 9 . 1 1 20 20 MET H H 20 8.110 8.110 7.516 0.594 19582 815 1 9 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.618 0.192 19582 816 1 9 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.424 -0.324 19582 817 1 9 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.773 0.527 19582 818 1 9 . 1 1 21 21 ILE H H 21 8.550 8.550 8.213 0.337 19582 819 1 9 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.439 0.161 19582 820 1 9 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.235 0.665 19582 821 1 9 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.852 0.348 19582 822 1 9 . 1 1 22 22 VAL H H 22 8.640 8.640 8.252 0.388 19582 823 1 9 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.044 -0.144 19582 824 1 9 . 1 1 23 23 GLY H H 23 8.320 8.320 8.228 0.092 19582 825 1 9 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.734 1.866 19582 826 1 9 . 1 1 24 24 GLY H H 24 7.620 7.620 7.465 0.155 19582 827 1 9 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.414 -0.184 19582 828 1 9 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.330 -0.230 19582 829 1 9 . 1 1 25 25 LEU H H 25 8.050 8.050 7.682 0.368 19582 830 1 9 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.692 0.138 19582 831 1 9 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.768 -0.468 19582 832 1 9 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.183 -0.183 19582 833 1 9 . 1 1 26 26 VAL H H 26 8.310 8.310 8.345 -0.035 19582 834 1 9 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.259 -0.039 19582 835 1 9 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.783 0.917 19582 836 1 9 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.382 0.118 19582 837 1 9 . 1 1 27 27 LYS H H 27 7.850 7.850 8.460 -0.610 19582 838 1 10 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.322 0.108 19582 839 1 10 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.616 -0.016 19582 840 1 10 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.960 0.540 19582 841 1 10 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.332 0.048 19582 842 1 10 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.280 0.420 19582 843 1 10 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.279 0.021 19582 844 1 10 . 1 1 3 3 LYS H H 3 8.380 8.380 8.589 -0.209 19582 845 1 10 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.151 -0.651 19582 846 1 10 . 1 1 4 4 ASN H H 4 8.570 8.570 8.503 0.067 19582 847 1 10 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.436 0.024 19582 848 1 10 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.749 0.451 19582 849 1 10 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.604 0.596 19582 850 1 10 . 1 1 5 5 TRP H H 5 8.000 8.000 9.199 -1.199 19582 851 1 10 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.668 0.612 19582 852 1 10 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.907 -1.907 19582 853 1 10 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.330 0.170 19582 854 1 10 . 1 1 6 6 PHE H H 6 7.400 7.400 7.509 -0.109 19582 855 1 10 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.511 0.079 19582 856 1 10 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.316 -1.616 19582 857 1 10 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.322 0.078 19582 858 1 10 . 1 1 7 7 ASP H H 7 7.860 7.860 8.090 -0.230 19582 859 1 10 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.985 0.065 19582 860 1 10 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.827 1.573 19582 861 1 10 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.100 1.500 19582 862 1 10 . 1 1 8 8 ILE H H 8 7.840 7.840 7.531 0.309 19582 863 1 10 . 1 1 9 9 THR HA H 9 4.050 4.050 3.961 0.089 19582 864 1 10 . 1 1 9 9 THR CA C 9 64.000 64.000 66.391 -2.391 19582 865 1 10 . 1 1 9 9 THR CB C 9 69.100 69.100 68.234 0.866 19582 866 1 10 . 1 1 9 9 THR H H 9 8.080 8.080 8.641 -0.561 19582 867 1 10 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.342 0.308 19582 868 1 10 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.285 0.415 19582 869 1 10 . 1 1 10 10 ASN H H 10 7.930 7.930 7.578 0.352 19582 870 1 10 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.523 0.227 19582 871 1 10 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.639 -0.139 19582 872 1 10 . 1 1 11 11 TRP H H 11 7.910 7.910 7.588 0.322 19582 873 1 10 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.067 -0.017 19582 874 1 10 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.723 0.177 19582 875 1 10 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.611 0.189 19582 876 1 10 . 1 1 12 12 LEU H H 12 8.000 8.000 8.226 -0.226 19582 877 1 10 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.302 -0.052 19582 878 1 10 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.984 -1.684 19582 879 1 10 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.380 -0.680 19582 880 1 10 . 1 1 13 13 TRP H H 13 7.850 7.850 8.451 -0.601 19582 881 1 10 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.222 -0.172 19582 882 1 10 . 1 1 14 14 TYR CA C 14 61.300 61.300 60.889 0.411 19582 883 1 10 . 1 1 14 14 TYR H H 14 7.400 7.400 7.932 -0.532 19582 884 1 10 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.581 0.219 19582 885 1 10 . 1 1 15 15 ILE CA C 15 64.300 64.300 63.431 0.869 19582 886 1 10 . 1 1 15 15 ILE CB C 15 37.700 37.700 36.699 1.001 19582 887 1 10 . 1 1 15 15 ILE H H 15 7.930 7.930 7.661 0.269 19582 888 1 10 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.042 -0.122 19582 889 1 10 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.691 1.409 19582 890 1 10 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.062 -0.062 19582 891 1 10 . 1 1 16 16 LYS H H 16 7.880 7.880 7.324 0.556 19582 892 1 10 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.887 0.193 19582 893 1 10 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.610 0.590 19582 894 1 10 . 1 1 17 17 LEU CB C 17 41.700 41.700 40.884 0.816 19582 895 1 10 . 1 1 17 17 LEU H H 17 7.580 7.580 7.265 0.315 19582 896 1 10 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.923 0.217 19582 897 1 10 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.089 -0.189 19582 898 1 10 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.661 0.239 19582 899 1 10 . 1 1 18 18 PHE H H 18 8.140 8.140 7.656 0.484 19582 900 1 10 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.417 0.173 19582 901 1 10 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.206 -0.106 19582 902 1 10 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.734 0.166 19582 903 1 10 . 1 1 19 19 ILE H H 19 8.470 8.470 7.430 1.040 19582 904 1 10 . 1 1 20 20 MET HA H 20 4.130 4.130 3.998 0.132 19582 905 1 10 . 1 1 20 20 MET CA C 20 59.100 59.100 59.064 0.036 19582 906 1 10 . 1 1 20 20 MET CB C 20 32.600 32.600 32.444 0.156 19582 907 1 10 . 1 1 20 20 MET H H 20 8.110 8.110 7.322 0.788 19582 908 1 10 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.635 0.175 19582 909 1 10 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.366 -0.266 19582 910 1 10 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.814 0.486 19582 911 1 10 . 1 1 21 21 ILE H H 21 8.550 8.550 8.189 0.361 19582 912 1 10 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.425 0.175 19582 913 1 10 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.375 0.525 19582 914 1 10 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.940 0.260 19582 915 1 10 . 1 1 22 22 VAL H H 22 8.640 8.640 8.228 0.412 19582 916 1 10 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.002 -0.102 19582 917 1 10 . 1 1 23 23 GLY H H 23 8.320 8.320 8.243 0.077 19582 918 1 10 . 1 1 24 24 GLY CA C 24 46.600 46.600 45.061 1.539 19582 919 1 10 . 1 1 24 24 GLY H H 24 7.620 7.620 7.527 0.093 19582 920 1 10 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.476 -0.246 19582 921 1 10 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.536 -0.436 19582 922 1 10 . 1 1 25 25 LEU H H 25 8.050 8.050 7.551 0.499 19582 923 1 10 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.698 0.132 19582 924 1 10 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.467 -0.167 19582 925 1 10 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.026 -0.027 19582 926 1 10 . 1 1 26 26 VAL H H 26 8.310 8.310 8.376 -0.066 19582 927 1 10 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.316 -0.096 19582 928 1 10 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.547 1.153 19582 929 1 10 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.435 0.065 19582 930 1 10 . 1 1 27 27 LYS H H 27 7.850 7.850 8.419 -0.569 19582 931 1 11 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.215 0.215 19582 932 1 11 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.434 0.166 19582 933 1 11 . 1 1 2 2 LYS CB C 2 33.500 33.500 31.786 1.714 19582 934 1 11 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.312 0.068 19582 935 1 11 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.241 0.459 19582 936 1 11 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.234 0.066 19582 937 1 11 . 1 1 3 3 LYS H H 3 8.380 8.380 7.937 0.443 19582 938 1 11 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.307 0.193 19582 939 1 11 . 1 1 4 4 ASN H H 4 8.570 8.570 8.613 -0.043 19582 940 1 11 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.468 -0.008 19582 941 1 11 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.331 -0.131 19582 942 1 11 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.607 0.593 19582 943 1 11 . 1 1 5 5 TRP H H 5 8.000 8.000 8.901 -0.901 19582 944 1 11 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.739 0.541 19582 945 1 11 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.370 -1.371 19582 946 1 11 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.419 0.081 19582 947 1 11 . 1 1 6 6 PHE H H 6 7.400 7.400 7.121 0.279 19582 948 1 11 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.507 0.083 19582 949 1 11 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.074 -1.374 19582 950 1 11 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.949 0.451 19582 951 1 11 . 1 1 7 7 ASP H H 7 7.860 7.860 7.782 0.078 19582 952 1 11 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.106 -0.056 19582 953 1 11 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.042 2.358 19582 954 1 11 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.497 2.103 19582 955 1 11 . 1 1 8 8 ILE H H 8 7.840 7.840 7.458 0.382 19582 956 1 11 . 1 1 9 9 THR HA H 9 4.050 4.050 4.038 0.012 19582 957 1 11 . 1 1 9 9 THR CA C 9 64.000 64.000 66.988 -2.988 19582 958 1 11 . 1 1 9 9 THR CB C 9 69.100 69.100 68.846 0.254 19582 959 1 11 . 1 1 9 9 THR H H 9 8.080 8.080 7.974 0.106 19582 960 1 11 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.711 -0.061 19582 961 1 11 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.650 0.050 19582 962 1 11 . 1 1 10 10 ASN H H 10 7.930 7.930 7.934 -0.004 19582 963 1 11 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.253 0.497 19582 964 1 11 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.369 0.131 19582 965 1 11 . 1 1 11 11 TRP H H 11 7.910 7.910 7.269 0.641 19582 966 1 11 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.913 0.137 19582 967 1 11 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.649 -0.749 19582 968 1 11 . 1 1 12 12 LEU CB C 12 41.800 41.800 42.029 -0.229 19582 969 1 11 . 1 1 12 12 LEU H H 12 8.000 8.000 8.549 -0.549 19582 970 1 11 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.459 -0.209 19582 971 1 11 . 1 1 13 13 TRP CA C 13 60.300 60.300 58.622 1.678 19582 972 1 11 . 1 1 13 13 TRP CB C 13 28.700 28.700 28.830 -0.130 19582 973 1 11 . 1 1 13 13 TRP H H 13 7.850 7.850 7.424 0.426 19582 974 1 11 . 1 1 14 14 TYR HA H 14 4.050 4.050 3.547 0.503 19582 975 1 11 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.786 -0.486 19582 976 1 11 . 1 1 14 14 TYR H H 14 7.400 7.400 6.779 0.621 19582 977 1 11 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.718 0.082 19582 978 1 11 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.236 -0.935 19582 979 1 11 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.673 0.027 19582 980 1 11 . 1 1 15 15 ILE H H 15 7.930 7.930 8.490 -0.560 19582 981 1 11 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.147 -0.227 19582 982 1 11 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.126 0.974 19582 983 1 11 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.995 0.005 19582 984 1 11 . 1 1 16 16 LYS H H 16 7.880 7.880 7.482 0.398 19582 985 1 11 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.964 0.116 19582 986 1 11 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.567 0.633 19582 987 1 11 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.304 0.396 19582 988 1 11 . 1 1 17 17 LEU H H 17 7.580 7.580 7.520 0.060 19582 989 1 11 . 1 1 18 18 PHE HA H 18 4.140 4.140 4.097 0.043 19582 990 1 11 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.133 -0.233 19582 991 1 11 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.881 0.019 19582 992 1 11 . 1 1 18 18 PHE H H 18 8.140 8.140 7.526 0.614 19582 993 1 11 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.564 0.026 19582 994 1 11 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.058 0.042 19582 995 1 11 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.827 0.073 19582 996 1 11 . 1 1 19 19 ILE H H 19 8.470 8.470 7.481 0.989 19582 997 1 11 . 1 1 20 20 MET HA H 20 4.130 4.130 4.053 0.077 19582 998 1 11 . 1 1 20 20 MET CA C 20 59.100 59.100 59.165 -0.065 19582 999 1 11 . 1 1 20 20 MET CB C 20 32.600 32.600 32.590 0.010 19582 1000 1 11 . 1 1 20 20 MET H H 20 8.110 8.110 7.438 0.672 19582 1001 1 11 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.637 0.173 19582 1002 1 11 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.327 -0.227 19582 1003 1 11 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.728 0.572 19582 1004 1 11 . 1 1 21 21 ILE H H 21 8.550 8.550 8.312 0.238 19582 1005 1 11 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.498 0.102 19582 1006 1 11 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.635 0.265 19582 1007 1 11 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.657 0.543 19582 1008 1 11 . 1 1 22 22 VAL H H 22 8.640 8.640 8.302 0.338 19582 1009 1 11 . 1 1 23 23 GLY CA C 23 46.900 46.900 46.998 -0.098 19582 1010 1 11 . 1 1 23 23 GLY H H 23 8.320 8.320 8.266 0.054 19582 1011 1 11 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.854 1.746 19582 1012 1 11 . 1 1 24 24 GLY H H 24 7.620 7.620 7.511 0.109 19582 1013 1 11 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.352 -0.122 19582 1014 1 11 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.236 -0.136 19582 1015 1 11 . 1 1 25 25 LEU H H 25 8.050 8.050 7.889 0.161 19582 1016 1 11 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.684 0.146 19582 1017 1 11 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.986 -0.686 19582 1018 1 11 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.132 -0.132 19582 1019 1 11 . 1 1 26 26 VAL H H 26 8.310 8.310 8.392 -0.082 19582 1020 1 11 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.242 -0.022 19582 1021 1 11 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.147 1.553 19582 1022 1 11 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.497 0.003 19582 1023 1 11 . 1 1 27 27 LYS H H 27 7.850 7.850 8.288 -0.438 19582 1024 1 12 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.296 0.134 19582 1025 1 12 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.394 0.206 19582 1026 1 12 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.544 -0.044 19582 1027 1 12 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.251 0.129 19582 1028 1 12 . 1 1 3 3 LYS CA C 3 56.700 56.700 57.682 -0.982 19582 1029 1 12 . 1 1 3 3 LYS CB C 3 33.300 33.300 32.942 0.358 19582 1030 1 12 . 1 1 3 3 LYS H H 3 8.380 8.380 8.486 -0.106 19582 1031 1 12 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.696 -0.195 19582 1032 1 12 . 1 1 4 4 ASN H H 4 8.570 8.570 7.992 0.578 19582 1033 1 12 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.412 0.048 19582 1034 1 12 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.891 0.309 19582 1035 1 12 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.919 0.281 19582 1036 1 12 . 1 1 5 5 TRP H H 5 8.000 8.000 9.015 -1.015 19582 1037 1 12 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.633 0.647 19582 1038 1 12 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.022 -1.022 19582 1039 1 12 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.600 -0.100 19582 1040 1 12 . 1 1 6 6 PHE H H 6 7.400 7.400 7.852 -0.452 19582 1041 1 12 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.538 0.052 19582 1042 1 12 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.071 -0.371 19582 1043 1 12 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.333 0.068 19582 1044 1 12 . 1 1 7 7 ASP H H 7 7.860 7.860 7.770 0.090 19582 1045 1 12 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.121 -0.071 19582 1046 1 12 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.735 1.665 19582 1047 1 12 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.689 1.911 19582 1048 1 12 . 1 1 8 8 ILE H H 8 7.840 7.840 7.475 0.365 19582 1049 1 12 . 1 1 9 9 THR HA H 9 4.050 4.050 4.006 0.044 19582 1050 1 12 . 1 1 9 9 THR CA C 9 64.000 64.000 66.481 -2.481 19582 1051 1 12 . 1 1 9 9 THR CB C 9 69.100 69.100 68.096 1.004 19582 1052 1 12 . 1 1 9 9 THR H H 9 8.080 8.080 7.954 0.126 19582 1053 1 12 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.456 0.194 19582 1054 1 12 . 1 1 10 10 ASN CB C 10 38.700 38.700 37.709 0.991 19582 1055 1 12 . 1 1 10 10 ASN H H 10 7.930 7.930 7.804 0.126 19582 1056 1 12 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.504 0.246 19582 1057 1 12 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.269 0.231 19582 1058 1 12 . 1 1 11 11 TRP H H 11 7.910 7.910 7.843 0.067 19582 1059 1 12 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.981 0.069 19582 1060 1 12 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.044 -0.144 19582 1061 1 12 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.505 0.295 19582 1062 1 12 . 1 1 12 12 LEU H H 12 8.000 8.000 8.016 -0.016 19582 1063 1 12 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.271 -0.021 19582 1064 1 12 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.295 -1.996 19582 1065 1 12 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.434 -0.734 19582 1066 1 12 . 1 1 13 13 TRP H H 13 7.850 7.850 8.544 -0.694 19582 1067 1 12 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.084 -0.034 19582 1068 1 12 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.437 -1.137 19582 1069 1 12 . 1 1 14 14 TYR H H 14 7.400 7.400 7.779 -0.379 19582 1070 1 12 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.707 0.093 19582 1071 1 12 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.965 -0.665 19582 1072 1 12 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.885 -0.185 19582 1073 1 12 . 1 1 15 15 ILE H H 15 7.930 7.930 7.683 0.247 19582 1074 1 12 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.925 -0.005 19582 1075 1 12 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.769 0.331 19582 1076 1 12 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.136 -0.136 19582 1077 1 12 . 1 1 16 16 LYS H H 16 7.880 7.880 7.668 0.212 19582 1078 1 12 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.731 0.349 19582 1079 1 12 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.748 0.452 19582 1080 1 12 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.442 0.258 19582 1081 1 12 . 1 1 17 17 LEU H H 17 7.580 7.580 7.616 -0.036 19582 1082 1 12 . 1 1 18 18 PHE HA H 18 4.140 4.140 4.036 0.104 19582 1083 1 12 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.571 0.329 19582 1084 1 12 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.030 -0.130 19582 1085 1 12 . 1 1 18 18 PHE H H 18 8.140 8.140 7.372 0.768 19582 1086 1 12 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.495 0.095 19582 1087 1 12 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.443 -0.343 19582 1088 1 12 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.681 0.219 19582 1089 1 12 . 1 1 19 19 ILE H H 19 8.470 8.470 7.685 0.785 19582 1090 1 12 . 1 1 20 20 MET HA H 20 4.130 4.130 3.963 0.167 19582 1091 1 12 . 1 1 20 20 MET CA C 20 59.100 59.100 59.204 -0.104 19582 1092 1 12 . 1 1 20 20 MET CB C 20 32.600 32.600 32.409 0.191 19582 1093 1 12 . 1 1 20 20 MET H H 20 8.110 8.110 7.388 0.722 19582 1094 1 12 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.565 0.245 19582 1095 1 12 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.212 -0.112 19582 1096 1 12 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.513 0.787 19582 1097 1 12 . 1 1 21 21 ILE H H 21 8.550 8.550 8.036 0.514 19582 1098 1 12 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.508 0.092 19582 1099 1 12 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.149 0.751 19582 1100 1 12 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.314 0.886 19582 1101 1 12 . 1 1 22 22 VAL H H 22 8.640 8.640 8.253 0.387 19582 1102 1 12 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.365 -0.465 19582 1103 1 12 . 1 1 23 23 GLY H H 23 8.320 8.320 8.431 -0.111 19582 1104 1 12 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.855 1.745 19582 1105 1 12 . 1 1 24 24 GLY H H 24 7.620 7.620 7.343 0.277 19582 1106 1 12 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.270 -0.040 19582 1107 1 12 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.270 -0.170 19582 1108 1 12 . 1 1 25 25 LEU H H 25 8.050 8.050 7.905 0.145 19582 1109 1 12 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.764 0.066 19582 1110 1 12 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.142 0.158 19582 1111 1 12 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.994 0.006 19582 1112 1 12 . 1 1 26 26 VAL H H 26 8.310 8.310 8.368 -0.058 19582 1113 1 12 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.204 0.016 19582 1114 1 12 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.232 1.468 19582 1115 1 12 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.528 -0.028 19582 1116 1 12 . 1 1 27 27 LYS H H 27 7.850 7.850 8.295 -0.445 19582 1117 1 13 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.198 0.232 19582 1118 1 13 . 1 1 2 2 LYS CA C 2 56.600 56.600 57.110 -0.510 19582 1119 1 13 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.467 1.033 19582 1120 1 13 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.278 0.102 19582 1121 1 13 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.312 0.388 19582 1122 1 13 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.100 0.200 19582 1123 1 13 . 1 1 3 3 LYS H H 3 8.380 8.380 7.895 0.485 19582 1124 1 13 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.746 -0.246 19582 1125 1 13 . 1 1 4 4 ASN H H 4 8.570 8.570 8.480 0.090 19582 1126 1 13 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.426 0.034 19582 1127 1 13 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.365 -0.165 19582 1128 1 13 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.706 0.495 19582 1129 1 13 . 1 1 5 5 TRP H H 5 8.000 8.000 9.022 -1.022 19582 1130 1 13 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.522 0.758 19582 1131 1 13 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.545 -1.545 19582 1132 1 13 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.351 0.149 19582 1133 1 13 . 1 1 6 6 PHE H H 6 7.400 7.400 7.430 -0.030 19582 1134 1 13 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.734 -0.144 19582 1135 1 13 . 1 1 7 7 ASP CA C 7 55.700 55.700 55.961 -0.261 19582 1136 1 13 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.637 -0.237 19582 1137 1 13 . 1 1 7 7 ASP H H 7 7.860 7.860 7.931 -0.071 19582 1138 1 13 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.981 0.069 19582 1139 1 13 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.527 1.873 19582 1140 1 13 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.679 1.921 19582 1141 1 13 . 1 1 8 8 ILE H H 8 7.840 7.840 8.021 -0.181 19582 1142 1 13 . 1 1 9 9 THR HA H 9 4.050 4.050 4.112 -0.062 19582 1143 1 13 . 1 1 9 9 THR CA C 9 64.000 64.000 66.705 -2.705 19582 1144 1 13 . 1 1 9 9 THR CB C 9 69.100 69.100 68.480 0.620 19582 1145 1 13 . 1 1 9 9 THR H H 9 8.080 8.080 8.689 -0.609 19582 1146 1 13 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.785 -0.135 19582 1147 1 13 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.024 0.676 19582 1148 1 13 . 1 1 10 10 ASN H H 10 7.930 7.930 8.096 -0.166 19582 1149 1 13 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.410 0.340 19582 1150 1 13 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.231 0.269 19582 1151 1 13 . 1 1 11 11 TRP H H 11 7.910 7.910 8.199 -0.289 19582 1152 1 13 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.937 0.113 19582 1153 1 13 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.284 -0.384 19582 1154 1 13 . 1 1 12 12 LEU CB C 12 41.800 41.800 42.138 -0.338 19582 1155 1 13 . 1 1 12 12 LEU H H 12 8.000 8.000 7.783 0.217 19582 1156 1 13 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.462 -0.212 19582 1157 1 13 . 1 1 13 13 TRP CA C 13 60.300 60.300 58.854 1.446 19582 1158 1 13 . 1 1 13 13 TRP CB C 13 28.700 28.700 28.831 -0.131 19582 1159 1 13 . 1 1 13 13 TRP H H 13 7.850 7.850 7.574 0.276 19582 1160 1 13 . 1 1 14 14 TYR HA H 14 4.050 4.050 3.536 0.514 19582 1161 1 13 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.234 0.066 19582 1162 1 13 . 1 1 14 14 TYR H H 14 7.400 7.400 6.779 0.621 19582 1163 1 13 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.520 0.280 19582 1164 1 13 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.075 -0.775 19582 1165 1 13 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.588 0.112 19582 1166 1 13 . 1 1 15 15 ILE H H 15 7.930 7.930 8.524 -0.594 19582 1167 1 13 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.099 -0.179 19582 1168 1 13 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.192 0.908 19582 1169 1 13 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.167 -0.167 19582 1170 1 13 . 1 1 16 16 LYS H H 16 7.880 7.880 7.683 0.197 19582 1171 1 13 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.975 0.105 19582 1172 1 13 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.349 0.851 19582 1173 1 13 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.454 0.246 19582 1174 1 13 . 1 1 17 17 LEU H H 17 7.580 7.580 7.550 0.030 19582 1175 1 13 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.989 0.151 19582 1176 1 13 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.823 0.077 19582 1177 1 13 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.020 -0.120 19582 1178 1 13 . 1 1 18 18 PHE H H 18 8.140 8.140 7.600 0.540 19582 1179 1 13 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.488 0.102 19582 1180 1 13 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.181 -0.081 19582 1181 1 13 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.732 0.168 19582 1182 1 13 . 1 1 19 19 ILE H H 19 8.470 8.470 7.542 0.928 19582 1183 1 13 . 1 1 20 20 MET HA H 20 4.130 4.130 4.028 0.102 19582 1184 1 13 . 1 1 20 20 MET CA C 20 59.100 59.100 59.182 -0.082 19582 1185 1 13 . 1 1 20 20 MET CB C 20 32.600 32.600 32.504 0.096 19582 1186 1 13 . 1 1 20 20 MET H H 20 8.110 8.110 7.386 0.724 19582 1187 1 13 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.630 0.180 19582 1188 1 13 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.265 -0.165 19582 1189 1 13 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.728 0.572 19582 1190 1 13 . 1 1 21 21 ILE H H 21 8.550 8.550 8.410 0.140 19582 1191 1 13 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.523 0.077 19582 1192 1 13 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.355 0.545 19582 1193 1 13 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.488 0.713 19582 1194 1 13 . 1 1 22 22 VAL H H 22 8.640 8.640 8.271 0.369 19582 1195 1 13 . 1 1 23 23 GLY CA C 23 46.900 46.900 46.997 -0.097 19582 1196 1 13 . 1 1 23 23 GLY H H 23 8.320 8.320 8.087 0.233 19582 1197 1 13 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.743 1.857 19582 1198 1 13 . 1 1 24 24 GLY H H 24 7.620 7.620 7.515 0.105 19582 1199 1 13 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.398 -0.168 19582 1200 1 13 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.327 -0.227 19582 1201 1 13 . 1 1 25 25 LEU H H 25 8.050 8.050 7.644 0.406 19582 1202 1 13 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.676 0.154 19582 1203 1 13 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.851 -0.551 19582 1204 1 13 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.107 -0.107 19582 1205 1 13 . 1 1 26 26 VAL H H 26 8.310 8.310 8.376 -0.066 19582 1206 1 13 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.250 -0.030 19582 1207 1 13 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.100 1.600 19582 1208 1 13 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.426 0.074 19582 1209 1 13 . 1 1 27 27 LYS H H 27 7.850 7.850 8.270 -0.420 19582 1210 1 14 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.273 0.157 19582 1211 1 14 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.486 0.114 19582 1212 1 14 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.651 0.849 19582 1213 1 14 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.295 0.086 19582 1214 1 14 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.827 0.873 19582 1215 1 14 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.811 -0.511 19582 1216 1 14 . 1 1 3 3 LYS H H 3 8.380 8.380 8.507 -0.127 19582 1217 1 14 . 1 1 4 4 ASN CB C 4 39.500 39.500 41.636 -2.136 19582 1218 1 14 . 1 1 4 4 ASN H H 4 8.570 8.570 8.540 0.030 19582 1219 1 14 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.500 -0.040 19582 1220 1 14 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.416 -0.216 19582 1221 1 14 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.683 0.517 19582 1222 1 14 . 1 1 5 5 TRP H H 5 8.000 8.000 9.082 -1.082 19582 1223 1 14 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.461 0.819 19582 1224 1 14 . 1 1 6 6 PHE CA C 6 59.000 59.000 61.598 -2.598 19582 1225 1 14 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.470 0.030 19582 1226 1 14 . 1 1 6 6 PHE H H 6 7.400 7.400 7.559 -0.159 19582 1227 1 14 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.260 0.330 19582 1228 1 14 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.428 -1.728 19582 1229 1 14 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.718 0.683 19582 1230 1 14 . 1 1 7 7 ASP H H 7 7.860 7.860 7.670 0.190 19582 1231 1 14 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.142 -0.092 19582 1232 1 14 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.562 1.838 19582 1233 1 14 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.198 1.402 19582 1234 1 14 . 1 1 8 8 ILE H H 8 7.840 7.840 7.346 0.494 19582 1235 1 14 . 1 1 9 9 THR HA H 9 4.050 4.050 4.018 0.032 19582 1236 1 14 . 1 1 9 9 THR CA C 9 64.000 64.000 66.194 -2.194 19582 1237 1 14 . 1 1 9 9 THR CB C 9 69.100 69.100 68.464 0.636 19582 1238 1 14 . 1 1 9 9 THR H H 9 8.080 8.080 8.243 -0.163 19582 1239 1 14 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.329 0.321 19582 1240 1 14 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.043 0.657 19582 1241 1 14 . 1 1 10 10 ASN H H 10 7.930 7.930 7.756 0.174 19582 1242 1 14 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.500 0.250 19582 1243 1 14 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.543 -0.043 19582 1244 1 14 . 1 1 11 11 TRP H H 11 7.910 7.910 7.326 0.584 19582 1245 1 14 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.005 0.045 19582 1246 1 14 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.812 0.088 19582 1247 1 14 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.891 -0.091 19582 1248 1 14 . 1 1 12 12 LEU H H 12 8.000 8.000 7.555 0.445 19582 1249 1 14 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.189 0.061 19582 1250 1 14 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.777 -2.477 19582 1251 1 14 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.493 -0.793 19582 1252 1 14 . 1 1 13 13 TRP H H 13 7.850 7.850 8.189 -0.339 19582 1253 1 14 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.161 -0.111 19582 1254 1 14 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.417 -1.117 19582 1255 1 14 . 1 1 14 14 TYR H H 14 7.400 7.400 7.841 -0.441 19582 1256 1 14 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.563 0.237 19582 1257 1 14 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.332 -1.032 19582 1258 1 14 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.786 -0.086 19582 1259 1 14 . 1 1 15 15 ILE H H 15 7.930 7.930 7.600 0.330 19582 1260 1 14 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.906 0.014 19582 1261 1 14 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.420 0.680 19582 1262 1 14 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.126 -0.126 19582 1263 1 14 . 1 1 16 16 LYS H H 16 7.880 7.880 7.393 0.487 19582 1264 1 14 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.671 0.409 19582 1265 1 14 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.720 0.480 19582 1266 1 14 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.311 0.389 19582 1267 1 14 . 1 1 17 17 LEU H H 17 7.580 7.580 8.026 -0.446 19582 1268 1 14 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.835 0.305 19582 1269 1 14 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.245 -0.345 19582 1270 1 14 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.911 -0.011 19582 1271 1 14 . 1 1 18 18 PHE H H 18 8.140 8.140 8.103 0.037 19582 1272 1 14 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.425 0.165 19582 1273 1 14 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.618 -0.518 19582 1274 1 14 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.772 0.128 19582 1275 1 14 . 1 1 19 19 ILE H H 19 8.470 8.470 7.920 0.550 19582 1276 1 14 . 1 1 20 20 MET HA H 20 4.130 4.130 3.972 0.158 19582 1277 1 14 . 1 1 20 20 MET CA C 20 59.100 59.100 58.575 0.525 19582 1278 1 14 . 1 1 20 20 MET CB C 20 32.600 32.600 32.025 0.575 19582 1279 1 14 . 1 1 20 20 MET H H 20 8.110 8.110 7.732 0.378 19582 1280 1 14 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.587 0.223 19582 1281 1 14 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.161 -0.061 19582 1282 1 14 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.714 0.586 19582 1283 1 14 . 1 1 21 21 ILE H H 21 8.550 8.550 8.113 0.437 19582 1284 1 14 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.380 0.220 19582 1285 1 14 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.407 0.493 19582 1286 1 14 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.962 0.239 19582 1287 1 14 . 1 1 22 22 VAL H H 22 8.640 8.640 8.197 0.444 19582 1288 1 14 . 1 1 23 23 GLY CA C 23 46.900 46.900 46.998 -0.098 19582 1289 1 14 . 1 1 23 23 GLY H H 23 8.320 8.320 8.389 -0.069 19582 1290 1 14 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.696 1.904 19582 1291 1 14 . 1 1 24 24 GLY H H 24 7.620 7.620 7.573 0.047 19582 1292 1 14 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.367 -0.137 19582 1293 1 14 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.464 -0.364 19582 1294 1 14 . 1 1 25 25 LEU H H 25 8.050 8.050 7.697 0.353 19582 1295 1 14 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.705 0.125 19582 1296 1 14 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.436 -0.136 19582 1297 1 14 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.188 -0.188 19582 1298 1 14 . 1 1 26 26 VAL H H 26 8.310 8.310 8.209 0.101 19582 1299 1 14 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.182 0.038 19582 1300 1 14 . 1 1 27 27 LYS CA C 27 57.700 57.700 57.531 0.169 19582 1301 1 14 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.597 -0.097 19582 1302 1 14 . 1 1 27 27 LYS H H 27 7.850 7.850 8.732 -0.882 19582 1303 1 15 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.533 -0.103 19582 1304 1 15 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.069 0.531 19582 1305 1 15 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.459 0.042 19582 1306 1 15 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.326 0.054 19582 1307 1 15 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.714 -0.014 19582 1308 1 15 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.233 0.066 19582 1309 1 15 . 1 1 3 3 LYS H H 3 8.380 8.380 8.481 -0.101 19582 1310 1 15 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.853 -1.353 19582 1311 1 15 . 1 1 4 4 ASN H H 4 8.570 8.570 8.752 -0.182 19582 1312 1 15 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.483 -0.023 19582 1313 1 15 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.074 0.126 19582 1314 1 15 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.773 0.427 19582 1315 1 15 . 1 1 5 5 TRP H H 5 8.000 8.000 9.022 -1.022 19582 1316 1 15 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.506 0.774 19582 1317 1 15 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.064 -1.064 19582 1318 1 15 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.097 0.403 19582 1319 1 15 . 1 1 6 6 PHE H H 6 7.400 7.400 7.324 0.076 19582 1320 1 15 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.398 0.192 19582 1321 1 15 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.447 -0.747 19582 1322 1 15 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.898 0.502 19582 1323 1 15 . 1 1 7 7 ASP H H 7 7.860 7.860 7.746 0.114 19582 1324 1 15 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.172 -0.122 19582 1325 1 15 . 1 1 8 8 ILE CA C 8 65.400 65.400 64.382 1.018 19582 1326 1 15 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.980 1.620 19582 1327 1 15 . 1 1 8 8 ILE H H 8 7.840 7.840 7.346 0.494 19582 1328 1 15 . 1 1 9 9 THR HA H 9 4.050 4.050 4.014 0.036 19582 1329 1 15 . 1 1 9 9 THR CA C 9 64.000 64.000 66.454 -2.454 19582 1330 1 15 . 1 1 9 9 THR CB C 9 69.100 69.100 68.528 0.573 19582 1331 1 15 . 1 1 9 9 THR H H 9 8.080 8.080 7.789 0.291 19582 1332 1 15 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.377 0.273 19582 1333 1 15 . 1 1 10 10 ASN CB C 10 38.700 38.700 37.588 1.112 19582 1334 1 15 . 1 1 10 10 ASN H H 10 7.930 7.930 7.765 0.165 19582 1335 1 15 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.533 0.217 19582 1336 1 15 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.628 -0.128 19582 1337 1 15 . 1 1 11 11 TRP H H 11 7.910 7.910 7.320 0.590 19582 1338 1 15 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.046 0.004 19582 1339 1 15 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.873 0.027 19582 1340 1 15 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.696 0.104 19582 1341 1 15 . 1 1 12 12 LEU H H 12 8.000 8.000 8.496 -0.496 19582 1342 1 15 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.328 -0.078 19582 1343 1 15 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.378 -2.078 19582 1344 1 15 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.403 -0.703 19582 1345 1 15 . 1 1 13 13 TRP H H 13 7.850 7.850 8.285 -0.435 19582 1346 1 15 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.142 -0.092 19582 1347 1 15 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.410 -0.110 19582 1348 1 15 . 1 1 14 14 TYR H H 14 7.400 7.400 7.900 -0.500 19582 1349 1 15 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.689 0.111 19582 1350 1 15 . 1 1 15 15 ILE CA C 15 64.300 64.300 63.868 0.432 19582 1351 1 15 . 1 1 15 15 ILE CB C 15 37.700 37.700 36.661 1.039 19582 1352 1 15 . 1 1 15 15 ILE H H 15 7.930 7.930 7.633 0.297 19582 1353 1 15 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.063 -0.143 19582 1354 1 15 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.830 1.270 19582 1355 1 15 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.182 -0.182 19582 1356 1 15 . 1 1 16 16 LYS H H 16 7.880 7.880 7.469 0.411 19582 1357 1 15 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.789 0.291 19582 1358 1 15 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.524 0.676 19582 1359 1 15 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.118 0.582 19582 1360 1 15 . 1 1 17 17 LEU H H 17 7.580 7.580 7.400 0.180 19582 1361 1 15 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.841 0.299 19582 1362 1 15 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.553 -0.652 19582 1363 1 15 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.659 0.241 19582 1364 1 15 . 1 1 18 18 PHE H H 18 8.140 8.140 7.859 0.281 19582 1365 1 15 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.529 0.061 19582 1366 1 15 . 1 1 19 19 ILE CA C 19 65.100 65.100 64.862 0.238 19582 1367 1 15 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.697 0.203 19582 1368 1 15 . 1 1 19 19 ILE H H 19 8.470 8.470 7.314 1.156 19582 1369 1 15 . 1 1 20 20 MET HA H 20 4.130 4.130 4.004 0.126 19582 1370 1 15 . 1 1 20 20 MET CA C 20 59.100 59.100 58.362 0.738 19582 1371 1 15 . 1 1 20 20 MET CB C 20 32.600 32.600 31.875 0.725 19582 1372 1 15 . 1 1 20 20 MET H H 20 8.110 8.110 7.360 0.750 19582 1373 1 15 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.588 0.222 19582 1374 1 15 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.490 -0.390 19582 1375 1 15 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.687 0.613 19582 1376 1 15 . 1 1 21 21 ILE H H 21 8.550 8.550 8.211 0.339 19582 1377 1 15 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.433 0.167 19582 1378 1 15 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.326 0.574 19582 1379 1 15 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.899 0.301 19582 1380 1 15 . 1 1 22 22 VAL H H 22 8.640 8.640 8.221 0.419 19582 1381 1 15 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.347 -0.447 19582 1382 1 15 . 1 1 23 23 GLY H H 23 8.320 8.320 8.267 0.053 19582 1383 1 15 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.919 1.681 19582 1384 1 15 . 1 1 24 24 GLY H H 24 7.620 7.620 7.346 0.274 19582 1385 1 15 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.234 -0.004 19582 1386 1 15 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.226 -0.126 19582 1387 1 15 . 1 1 25 25 LEU H H 25 8.050 8.050 7.952 0.098 19582 1388 1 15 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.786 0.044 19582 1389 1 15 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.281 0.019 19582 1390 1 15 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.853 0.147 19582 1391 1 15 . 1 1 26 26 VAL H H 26 8.310 8.310 8.178 0.132 19582 1392 1 15 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.197 0.023 19582 1393 1 15 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.405 1.295 19582 1394 1 15 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.533 -0.033 19582 1395 1 15 . 1 1 27 27 LYS H H 27 7.850 7.850 8.216 -0.366 19582 1396 1 16 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.348 0.082 19582 1397 1 16 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.673 -0.073 19582 1398 1 16 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.933 0.567 19582 1399 1 16 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.363 0.017 19582 1400 1 16 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.140 0.560 19582 1401 1 16 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.538 -0.238 19582 1402 1 16 . 1 1 3 3 LYS H H 3 8.380 8.380 8.777 -0.397 19582 1403 1 16 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.041 -0.541 19582 1404 1 16 . 1 1 4 4 ASN H H 4 8.570 8.570 7.782 0.788 19582 1405 1 16 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.467 -0.007 19582 1406 1 16 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.025 0.175 19582 1407 1 16 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.930 0.271 19582 1408 1 16 . 1 1 5 5 TRP H H 5 8.000 8.000 9.046 -1.046 19582 1409 1 16 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.586 0.694 19582 1410 1 16 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.142 -1.142 19582 1411 1 16 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.407 0.093 19582 1412 1 16 . 1 1 6 6 PHE H H 6 7.400 7.400 7.370 0.030 19582 1413 1 16 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.367 0.223 19582 1414 1 16 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.915 -1.215 19582 1415 1 16 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.603 0.797 19582 1416 1 16 . 1 1 7 7 ASP H H 7 7.860 7.860 8.370 -0.510 19582 1417 1 16 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.119 -0.069 19582 1418 1 16 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.580 1.820 19582 1419 1 16 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.888 1.712 19582 1420 1 16 . 1 1 8 8 ILE H H 8 7.840 7.840 7.823 0.017 19582 1421 1 16 . 1 1 9 9 THR HA H 9 4.050 4.050 3.997 0.053 19582 1422 1 16 . 1 1 9 9 THR CA C 9 64.000 64.000 65.629 -1.629 19582 1423 1 16 . 1 1 9 9 THR CB C 9 69.100 69.100 68.175 0.924 19582 1424 1 16 . 1 1 9 9 THR H H 9 8.080 8.080 7.532 0.548 19582 1425 1 16 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.438 0.212 19582 1426 1 16 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.400 0.300 19582 1427 1 16 . 1 1 10 10 ASN H H 10 7.930 7.930 7.727 0.203 19582 1428 1 16 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.472 0.278 19582 1429 1 16 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.452 0.048 19582 1430 1 16 . 1 1 11 11 TRP H H 11 7.910 7.910 7.578 0.332 19582 1431 1 16 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.939 0.111 19582 1432 1 16 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.471 -0.571 19582 1433 1 16 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.648 0.152 19582 1434 1 16 . 1 1 12 12 LEU H H 12 8.000 8.000 7.676 0.324 19582 1435 1 16 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.228 0.022 19582 1436 1 16 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.640 -2.340 19582 1437 1 16 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.394 -0.694 19582 1438 1 16 . 1 1 13 13 TRP H H 13 7.850 7.850 8.331 -0.481 19582 1439 1 16 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.179 -0.129 19582 1440 1 16 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.182 -0.882 19582 1441 1 16 . 1 1 14 14 TYR H H 14 7.400 7.400 7.620 -0.220 19582 1442 1 16 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.601 0.199 19582 1443 1 16 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.895 -1.595 19582 1444 1 16 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.896 -0.196 19582 1445 1 16 . 1 1 15 15 ILE H H 15 7.930 7.930 8.244 -0.314 19582 1446 1 16 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.003 -0.083 19582 1447 1 16 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.289 0.811 19582 1448 1 16 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.322 -0.322 19582 1449 1 16 . 1 1 16 16 LYS H H 16 7.880 7.880 7.633 0.247 19582 1450 1 16 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.711 0.369 19582 1451 1 16 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.600 0.600 19582 1452 1 16 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.309 0.392 19582 1453 1 16 . 1 1 17 17 LEU H H 17 7.580 7.580 7.920 -0.340 19582 1454 1 16 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.967 0.173 19582 1455 1 16 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.615 -0.715 19582 1456 1 16 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.844 0.056 19582 1457 1 16 . 1 1 18 18 PHE H H 18 8.140 8.140 8.291 -0.151 19582 1458 1 16 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.523 0.067 19582 1459 1 16 . 1 1 19 19 ILE CA C 19 65.100 65.100 64.906 0.193 19582 1460 1 16 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.714 0.186 19582 1461 1 16 . 1 1 19 19 ILE H H 19 8.470 8.470 7.374 1.096 19582 1462 1 16 . 1 1 20 20 MET HA H 20 4.130 4.130 4.007 0.123 19582 1463 1 16 . 1 1 20 20 MET CA C 20 59.100 59.100 58.373 0.726 19582 1464 1 16 . 1 1 20 20 MET CB C 20 32.600 32.600 31.924 0.676 19582 1465 1 16 . 1 1 20 20 MET H H 20 8.110 8.110 7.316 0.794 19582 1466 1 16 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.599 0.211 19582 1467 1 16 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.226 -0.126 19582 1468 1 16 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.683 0.617 19582 1469 1 16 . 1 1 21 21 ILE H H 21 8.550 8.550 8.243 0.307 19582 1470 1 16 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.505 0.095 19582 1471 1 16 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.394 0.506 19582 1472 1 16 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.550 0.650 19582 1473 1 16 . 1 1 22 22 VAL H H 22 8.640 8.640 8.208 0.432 19582 1474 1 16 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.006 -0.106 19582 1475 1 16 . 1 1 23 23 GLY H H 23 8.320 8.320 8.222 0.098 19582 1476 1 16 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.985 1.615 19582 1477 1 16 . 1 1 24 24 GLY H H 24 7.620 7.620 7.516 0.104 19582 1478 1 16 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.399 -0.169 19582 1479 1 16 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.379 -0.279 19582 1480 1 16 . 1 1 25 25 LEU H H 25 8.050 8.050 7.650 0.400 19582 1481 1 16 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.703 0.127 19582 1482 1 16 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.771 -0.471 19582 1483 1 16 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.694 0.306 19582 1484 1 16 . 1 1 26 26 VAL H H 26 8.310 8.310 8.392 -0.082 19582 1485 1 16 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.272 -0.052 19582 1486 1 16 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.979 0.721 19582 1487 1 16 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.493 0.007 19582 1488 1 16 . 1 1 27 27 LYS H H 27 7.850 7.850 8.678 -0.828 19582 1489 1 17 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.303 0.127 19582 1490 1 17 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.890 -0.290 19582 1491 1 17 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.352 1.148 19582 1492 1 17 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.536 -0.156 19582 1493 1 17 . 1 1 3 3 LYS CA C 3 56.700 56.700 55.355 1.345 19582 1494 1 17 . 1 1 3 3 LYS CB C 3 33.300 33.300 34.376 -1.076 19582 1495 1 17 . 1 1 3 3 LYS H H 3 8.380 8.380 8.507 -0.127 19582 1496 1 17 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.211 -0.711 19582 1497 1 17 . 1 1 4 4 ASN H H 4 8.570 8.570 8.767 -0.197 19582 1498 1 17 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.539 -0.079 19582 1499 1 17 . 1 1 5 5 TRP CA C 5 59.200 59.200 58.269 0.931 19582 1500 1 17 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.930 0.270 19582 1501 1 17 . 1 1 5 5 TRP H H 5 8.000 8.000 8.598 -0.598 19582 1502 1 17 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.732 0.548 19582 1503 1 17 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.880 -1.880 19582 1504 1 17 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.731 -0.231 19582 1505 1 17 . 1 1 6 6 PHE H H 6 7.400 7.400 8.231 -0.831 19582 1506 1 17 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.423 0.167 19582 1507 1 17 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.269 -1.569 19582 1508 1 17 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.665 0.735 19582 1509 1 17 . 1 1 7 7 ASP H H 7 7.860 7.860 7.824 0.036 19582 1510 1 17 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.983 0.067 19582 1511 1 17 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.244 2.156 19582 1512 1 17 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.642 1.958 19582 1513 1 17 . 1 1 8 8 ILE H H 8 7.840 7.840 7.502 0.338 19582 1514 1 17 . 1 1 9 9 THR HA H 9 4.050 4.050 3.909 0.141 19582 1515 1 17 . 1 1 9 9 THR CA C 9 64.000 64.000 66.190 -2.190 19582 1516 1 17 . 1 1 9 9 THR CB C 9 69.100 69.100 68.195 0.905 19582 1517 1 17 . 1 1 9 9 THR H H 9 8.080 8.080 7.771 0.309 19582 1518 1 17 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.471 0.179 19582 1519 1 17 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.302 0.398 19582 1520 1 17 . 1 1 10 10 ASN H H 10 7.930 7.930 7.648 0.282 19582 1521 1 17 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.384 0.366 19582 1522 1 17 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.412 0.088 19582 1523 1 17 . 1 1 11 11 TRP H H 11 7.910 7.910 7.693 0.217 19582 1524 1 17 . 1 1 12 12 LEU HA H 12 4.050 4.050 3.970 0.080 19582 1525 1 17 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.161 -0.261 19582 1526 1 17 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.844 -0.044 19582 1527 1 17 . 1 1 12 12 LEU H H 12 8.000 8.000 8.217 -0.217 19582 1528 1 17 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.264 -0.014 19582 1529 1 17 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.252 -1.952 19582 1530 1 17 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.335 -0.635 19582 1531 1 17 . 1 1 13 13 TRP H H 13 7.850 7.850 7.786 0.064 19582 1532 1 17 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.033 0.017 19582 1533 1 17 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.667 -1.367 19582 1534 1 17 . 1 1 14 14 TYR H H 14 7.400 7.400 7.857 -0.457 19582 1535 1 17 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.672 0.128 19582 1536 1 17 . 1 1 15 15 ILE CA C 15 64.300 64.300 65.037 -0.737 19582 1537 1 17 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.848 -0.148 19582 1538 1 17 . 1 1 15 15 ILE H H 15 7.930 7.930 7.579 0.351 19582 1539 1 17 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.964 -0.044 19582 1540 1 17 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.812 1.288 19582 1541 1 17 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.700 0.300 19582 1542 1 17 . 1 1 16 16 LYS H H 16 7.880 7.880 7.752 0.128 19582 1543 1 17 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.688 0.392 19582 1544 1 17 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.635 0.565 19582 1545 1 17 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.495 0.205 19582 1546 1 17 . 1 1 17 17 LEU H H 17 7.580 7.580 8.075 -0.495 19582 1547 1 17 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.919 0.221 19582 1548 1 17 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.994 -0.094 19582 1549 1 17 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.095 -0.195 19582 1550 1 17 . 1 1 18 18 PHE H H 18 8.140 8.140 7.587 0.553 19582 1551 1 17 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.470 0.120 19582 1552 1 17 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.499 -0.399 19582 1553 1 17 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.797 0.103 19582 1554 1 17 . 1 1 19 19 ILE H H 19 8.470 8.470 7.904 0.566 19582 1555 1 17 . 1 1 20 20 MET HA H 20 4.130 4.130 3.982 0.148 19582 1556 1 17 . 1 1 20 20 MET CA C 20 59.100 59.100 58.811 0.289 19582 1557 1 17 . 1 1 20 20 MET CB C 20 32.600 32.600 32.138 0.462 19582 1558 1 17 . 1 1 20 20 MET H H 20 8.110 8.110 7.495 0.615 19582 1559 1 17 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.564 0.246 19582 1560 1 17 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.407 -0.307 19582 1561 1 17 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.647 0.653 19582 1562 1 17 . 1 1 21 21 ILE H H 21 8.550 8.550 8.250 0.300 19582 1563 1 17 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.444 0.156 19582 1564 1 17 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.307 0.593 19582 1565 1 17 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.964 0.236 19582 1566 1 17 . 1 1 22 22 VAL H H 22 8.640 8.640 8.118 0.522 19582 1567 1 17 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.185 -0.285 19582 1568 1 17 . 1 1 23 23 GLY H H 23 8.320 8.320 8.176 0.144 19582 1569 1 17 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.720 1.880 19582 1570 1 17 . 1 1 24 24 GLY H H 24 7.620 7.620 7.356 0.264 19582 1571 1 17 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.336 -0.106 19582 1572 1 17 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.388 -0.288 19582 1573 1 17 . 1 1 25 25 LEU H H 25 8.050 8.050 7.648 0.402 19582 1574 1 17 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.749 0.081 19582 1575 1 17 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.182 0.118 19582 1576 1 17 . 1 1 26 26 VAL CB C 26 32.000 32.000 31.922 0.078 19582 1577 1 17 . 1 1 26 26 VAL H H 26 8.310 8.310 8.262 0.048 19582 1578 1 17 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.208 0.012 19582 1579 1 17 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.319 1.381 19582 1580 1 17 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.559 -0.059 19582 1581 1 17 . 1 1 27 27 LYS H H 27 7.850 7.850 8.381 -0.531 19582 1582 1 18 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.620 -0.190 19582 1583 1 18 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.418 0.182 19582 1584 1 18 . 1 1 2 2 LYS CB C 2 33.500 33.500 33.395 0.105 19582 1585 1 18 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.490 -0.110 19582 1586 1 18 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.605 0.095 19582 1587 1 18 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.377 -0.077 19582 1588 1 18 . 1 1 3 3 LYS H H 3 8.380 8.380 8.634 -0.254 19582 1589 1 18 . 1 1 4 4 ASN CB C 4 39.500 39.500 40.595 -1.095 19582 1590 1 18 . 1 1 4 4 ASN H H 4 8.570 8.570 8.112 0.458 19582 1591 1 18 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.405 0.055 19582 1592 1 18 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.115 0.085 19582 1593 1 18 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.878 0.322 19582 1594 1 18 . 1 1 5 5 TRP H H 5 8.000 8.000 8.968 -0.968 19582 1595 1 18 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.405 0.875 19582 1596 1 18 . 1 1 6 6 PHE CA C 6 59.000 59.000 61.524 -2.524 19582 1597 1 18 . 1 1 6 6 PHE CB C 6 38.500 38.500 37.713 0.787 19582 1598 1 18 . 1 1 6 6 PHE H H 6 7.400 7.400 7.321 0.079 19582 1599 1 18 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.326 0.264 19582 1600 1 18 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.479 -1.779 19582 1601 1 18 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.457 0.943 19582 1602 1 18 . 1 1 7 7 ASP H H 7 7.860 7.860 7.715 0.145 19582 1603 1 18 . 1 1 8 8 ILE HA H 8 4.050 4.050 3.937 0.113 19582 1604 1 18 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.910 1.490 19582 1605 1 18 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.066 1.534 19582 1606 1 18 . 1 1 8 8 ILE H H 8 7.840 7.840 7.355 0.485 19582 1607 1 18 . 1 1 9 9 THR HA H 9 4.050 4.050 4.035 0.015 19582 1608 1 18 . 1 1 9 9 THR CA C 9 64.000 64.000 66.501 -2.501 19582 1609 1 18 . 1 1 9 9 THR CB C 9 69.100 69.100 68.589 0.511 19582 1610 1 18 . 1 1 9 9 THR H H 9 8.080 8.080 8.662 -0.582 19582 1611 1 18 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.358 0.292 19582 1612 1 18 . 1 1 10 10 ASN CB C 10 38.700 38.700 37.703 0.997 19582 1613 1 18 . 1 1 10 10 ASN H H 10 7.930 7.930 7.906 0.024 19582 1614 1 18 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.509 0.241 19582 1615 1 18 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.527 -0.027 19582 1616 1 18 . 1 1 11 11 TRP H H 11 7.910 7.910 7.375 0.535 19582 1617 1 18 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.051 -0.001 19582 1618 1 18 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.957 -0.057 19582 1619 1 18 . 1 1 12 12 LEU CB C 12 41.800 41.800 42.000 -0.200 19582 1620 1 18 . 1 1 12 12 LEU H H 12 8.000 8.000 7.625 0.375 19582 1621 1 18 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.346 -0.096 19582 1622 1 18 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.902 -1.602 19582 1623 1 18 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.283 -0.583 19582 1624 1 18 . 1 1 13 13 TRP H H 13 7.850 7.850 8.130 -0.280 19582 1625 1 18 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.105 -0.055 19582 1626 1 18 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.377 -1.077 19582 1627 1 18 . 1 1 14 14 TYR H H 14 7.400 7.400 7.881 -0.481 19582 1628 1 18 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.686 0.114 19582 1629 1 18 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.981 -0.681 19582 1630 1 18 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.765 -0.065 19582 1631 1 18 . 1 1 15 15 ILE H H 15 7.930 7.930 7.704 0.226 19582 1632 1 18 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.031 -0.111 19582 1633 1 18 . 1 1 16 16 LYS CA C 16 60.100 60.100 58.780 1.320 19582 1634 1 18 . 1 1 16 16 LYS CB C 16 32.000 32.000 31.992 0.008 19582 1635 1 18 . 1 1 16 16 LYS H H 16 7.880 7.880 7.303 0.577 19582 1636 1 18 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.704 0.376 19582 1637 1 18 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.501 0.699 19582 1638 1 18 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.381 0.319 19582 1639 1 18 . 1 1 17 17 LEU H H 17 7.580 7.580 8.028 -0.448 19582 1640 1 18 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.984 0.156 19582 1641 1 18 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.485 -0.585 19582 1642 1 18 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.997 -0.097 19582 1643 1 18 . 1 1 18 18 PHE H H 18 8.140 8.140 7.625 0.515 19582 1644 1 18 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.634 -0.044 19582 1645 1 18 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.244 -0.144 19582 1646 1 18 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.581 0.320 19582 1647 1 18 . 1 1 19 19 ILE H H 19 8.470 8.470 7.430 1.040 19582 1648 1 18 . 1 1 20 20 MET HA H 20 4.130 4.130 4.078 0.052 19582 1649 1 18 . 1 1 20 20 MET CA C 20 59.100 59.100 58.498 0.601 19582 1650 1 18 . 1 1 20 20 MET CB C 20 32.600 32.600 31.859 0.741 19582 1651 1 18 . 1 1 20 20 MET H H 20 8.110 8.110 7.231 0.879 19582 1652 1 18 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.582 0.228 19582 1653 1 18 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.391 -0.291 19582 1654 1 18 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.679 0.621 19582 1655 1 18 . 1 1 21 21 ILE H H 21 8.550 8.550 8.136 0.414 19582 1656 1 18 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.457 0.143 19582 1657 1 18 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.239 0.661 19582 1658 1 18 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.970 0.230 19582 1659 1 18 . 1 1 22 22 VAL H H 22 8.640 8.640 8.198 0.442 19582 1660 1 18 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.096 -0.196 19582 1661 1 18 . 1 1 23 23 GLY H H 23 8.320 8.320 8.127 0.193 19582 1662 1 18 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.781 1.819 19582 1663 1 18 . 1 1 24 24 GLY H H 24 7.620 7.620 7.393 0.227 19582 1664 1 18 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.239 -0.009 19582 1665 1 18 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.320 -0.220 19582 1666 1 18 . 1 1 25 25 LEU H H 25 8.050 8.050 7.688 0.362 19582 1667 1 18 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.716 0.114 19582 1668 1 18 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.461 -0.161 19582 1669 1 18 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.217 -0.217 19582 1670 1 18 . 1 1 26 26 VAL H H 26 8.310 8.310 8.262 0.048 19582 1671 1 18 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.236 -0.016 19582 1672 1 18 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.341 1.359 19582 1673 1 18 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.518 -0.018 19582 1674 1 18 . 1 1 27 27 LYS H H 27 7.850 7.850 8.337 -0.487 19582 1675 1 19 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.537 -0.107 19582 1676 1 19 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.376 0.224 19582 1677 1 19 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.686 0.814 19582 1678 1 19 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.170 0.210 19582 1679 1 19 . 1 1 3 3 LYS CA C 3 56.700 56.700 57.920 -1.220 19582 1680 1 19 . 1 1 3 3 LYS CB C 3 33.300 33.300 32.818 0.482 19582 1681 1 19 . 1 1 3 3 LYS H H 3 8.380 8.380 8.695 -0.315 19582 1682 1 19 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.828 -0.328 19582 1683 1 19 . 1 1 4 4 ASN H H 4 8.570 8.570 7.771 0.799 19582 1684 1 19 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.512 -0.052 19582 1685 1 19 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.163 0.037 19582 1686 1 19 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.984 0.216 19582 1687 1 19 . 1 1 5 5 TRP H H 5 8.000 8.000 8.856 -0.856 19582 1688 1 19 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.483 0.797 19582 1689 1 19 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.061 -1.061 19582 1690 1 19 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.322 0.178 19582 1691 1 19 . 1 1 6 6 PHE H H 6 7.400 7.400 7.281 0.119 19582 1692 1 19 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.249 0.341 19582 1693 1 19 . 1 1 7 7 ASP CA C 7 55.700 55.700 56.696 -0.996 19582 1694 1 19 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.676 0.724 19582 1695 1 19 . 1 1 7 7 ASP H H 7 7.860 7.860 7.769 0.091 19582 1696 1 19 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.186 -0.136 19582 1697 1 19 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.493 1.907 19582 1698 1 19 . 1 1 8 8 ILE CB C 8 38.600 38.600 37.228 1.371 19582 1699 1 19 . 1 1 8 8 ILE H H 8 7.840 7.840 7.581 0.259 19582 1700 1 19 . 1 1 9 9 THR HA H 9 4.050 4.050 3.913 0.137 19582 1701 1 19 . 1 1 9 9 THR CA C 9 64.000 64.000 65.944 -1.944 19582 1702 1 19 . 1 1 9 9 THR CB C 9 69.100 69.100 67.885 1.215 19582 1703 1 19 . 1 1 9 9 THR H H 9 8.080 8.080 7.587 0.493 19582 1704 1 19 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.156 0.494 19582 1705 1 19 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.020 0.680 19582 1706 1 19 . 1 1 10 10 ASN H H 10 7.930 7.930 7.446 0.484 19582 1707 1 19 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.506 0.244 19582 1708 1 19 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.393 0.107 19582 1709 1 19 . 1 1 11 11 TRP H H 11 7.910 7.910 7.415 0.495 19582 1710 1 19 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.016 0.034 19582 1711 1 19 . 1 1 12 12 LEU CA C 12 57.900 57.900 59.120 -1.220 19582 1712 1 19 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.525 0.275 19582 1713 1 19 . 1 1 12 12 LEU H H 12 8.000 8.000 7.543 0.457 19582 1714 1 19 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.260 -0.010 19582 1715 1 19 . 1 1 13 13 TRP CA C 13 60.300 60.300 62.285 -1.985 19582 1716 1 19 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.187 -0.487 19582 1717 1 19 . 1 1 13 13 TRP H H 13 7.850 7.850 7.962 -0.112 19582 1718 1 19 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.083 -0.033 19582 1719 1 19 . 1 1 14 14 TYR CA C 14 61.300 61.300 62.438 -1.138 19582 1720 1 19 . 1 1 14 14 TYR H H 14 7.400 7.400 7.772 -0.372 19582 1721 1 19 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.566 0.234 19582 1722 1 19 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.988 -0.688 19582 1723 1 19 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.880 -0.180 19582 1724 1 19 . 1 1 15 15 ILE H H 15 7.930 7.930 7.558 0.372 19582 1725 1 19 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.950 -0.030 19582 1726 1 19 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.767 0.333 19582 1727 1 19 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.214 -0.214 19582 1728 1 19 . 1 1 16 16 LYS H H 16 7.880 7.880 7.818 0.062 19582 1729 1 19 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.703 0.377 19582 1730 1 19 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.581 0.619 19582 1731 1 19 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.532 0.168 19582 1732 1 19 . 1 1 17 17 LEU H H 17 7.580 7.580 8.032 -0.452 19582 1733 1 19 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.923 0.217 19582 1734 1 19 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.962 -0.062 19582 1735 1 19 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.034 -0.134 19582 1736 1 19 . 1 1 18 18 PHE H H 18 8.140 8.140 7.485 0.655 19582 1737 1 19 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.478 0.112 19582 1738 1 19 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.375 -0.275 19582 1739 1 19 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.693 0.207 19582 1740 1 19 . 1 1 19 19 ILE H H 19 8.470 8.470 7.645 0.825 19582 1741 1 19 . 1 1 20 20 MET HA H 20 4.130 4.130 4.026 0.104 19582 1742 1 19 . 1 1 20 20 MET CA C 20 59.100 59.100 58.768 0.332 19582 1743 1 19 . 1 1 20 20 MET CB C 20 32.600 32.600 32.259 0.341 19582 1744 1 19 . 1 1 20 20 MET H H 20 8.110 8.110 7.386 0.724 19582 1745 1 19 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.569 0.241 19582 1746 1 19 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.339 -0.239 19582 1747 1 19 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.611 0.689 19582 1748 1 19 . 1 1 21 21 ILE H H 21 8.550 8.550 8.364 0.186 19582 1749 1 19 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.544 0.056 19582 1750 1 19 . 1 1 22 22 VAL CA C 22 66.900 66.900 65.911 0.989 19582 1751 1 19 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.246 0.954 19582 1752 1 19 . 1 1 22 22 VAL H H 22 8.640 8.640 8.211 0.429 19582 1753 1 19 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.045 -0.145 19582 1754 1 19 . 1 1 23 23 GLY H H 23 8.320 8.320 8.238 0.082 19582 1755 1 19 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.741 1.859 19582 1756 1 19 . 1 1 24 24 GLY H H 24 7.620 7.620 7.428 0.192 19582 1757 1 19 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.405 -0.175 19582 1758 1 19 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.376 -0.276 19582 1759 1 19 . 1 1 25 25 LEU H H 25 8.050 8.050 7.685 0.365 19582 1760 1 19 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.758 0.072 19582 1761 1 19 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.278 0.022 19582 1762 1 19 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.366 -0.366 19582 1763 1 19 . 1 1 26 26 VAL H H 26 8.310 8.310 8.341 -0.031 19582 1764 1 19 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.261 -0.041 19582 1765 1 19 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.591 1.109 19582 1766 1 19 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.302 0.198 19582 1767 1 19 . 1 1 27 27 LYS H H 27 7.850 7.850 8.365 -0.515 19582 1768 1 20 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.796 -0.366 19582 1769 1 20 . 1 1 2 2 LYS CA C 2 56.600 56.600 55.638 0.962 19582 1770 1 20 . 1 1 2 2 LYS CB C 2 33.500 33.500 34.654 -1.154 19582 1771 1 20 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.566 -0.186 19582 1772 1 20 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.724 -0.024 19582 1773 1 20 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.242 0.058 19582 1774 1 20 . 1 1 3 3 LYS H H 3 8.380 8.380 8.642 -0.262 19582 1775 1 20 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.934 -0.434 19582 1776 1 20 . 1 1 4 4 ASN H H 4 8.570 8.570 8.109 0.461 19582 1777 1 20 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.534 -0.074 19582 1778 1 20 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.198 0.002 19582 1779 1 20 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.973 0.227 19582 1780 1 20 . 1 1 5 5 TRP H H 5 8.000 8.000 8.963 -0.963 19582 1781 1 20 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.707 0.573 19582 1782 1 20 . 1 1 6 6 PHE CA C 6 59.000 59.000 59.966 -0.966 19582 1783 1 20 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.632 -0.132 19582 1784 1 20 . 1 1 6 6 PHE H H 6 7.400 7.400 7.301 0.099 19582 1785 1 20 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.166 0.424 19582 1786 1 20 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.901 -2.201 19582 1787 1 20 . 1 1 7 7 ASP CB C 7 41.400 41.400 40.931 0.469 19582 1788 1 20 . 1 1 7 7 ASP H H 7 7.860 7.860 7.695 0.165 19582 1789 1 20 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.097 -0.047 19582 1790 1 20 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.955 1.445 19582 1791 1 20 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.969 1.631 19582 1792 1 20 . 1 1 8 8 ILE H H 8 7.840 7.840 7.437 0.403 19582 1793 1 20 . 1 1 9 9 THR HA H 9 4.050 4.050 4.002 0.048 19582 1794 1 20 . 1 1 9 9 THR CA C 9 64.000 64.000 66.422 -2.422 19582 1795 1 20 . 1 1 9 9 THR CB C 9 69.100 69.100 68.128 0.972 19582 1796 1 20 . 1 1 9 9 THR H H 9 8.080 8.080 7.980 0.100 19582 1797 1 20 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.231 0.419 19582 1798 1 20 . 1 1 10 10 ASN CB C 10 38.700 38.700 37.435 1.264 19582 1799 1 20 . 1 1 10 10 ASN H H 10 7.930 7.930 7.439 0.491 19582 1800 1 20 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.522 0.228 19582 1801 1 20 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.379 0.121 19582 1802 1 20 . 1 1 11 11 TRP H H 11 7.910 7.910 7.112 0.798 19582 1803 1 20 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.119 -0.069 19582 1804 1 20 . 1 1 12 12 LEU CA C 12 57.900 57.900 57.896 0.004 19582 1805 1 20 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.055 0.745 19582 1806 1 20 . 1 1 12 12 LEU H H 12 8.000 8.000 8.085 -0.085 19582 1807 1 20 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.278 -0.028 19582 1808 1 20 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.996 -1.696 19582 1809 1 20 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.300 -0.600 19582 1810 1 20 . 1 1 13 13 TRP H H 13 7.850 7.850 7.819 0.031 19582 1811 1 20 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.159 -0.109 19582 1812 1 20 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.925 -0.625 19582 1813 1 20 . 1 1 14 14 TYR H H 14 7.400 7.400 7.993 -0.593 19582 1814 1 20 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.661 0.139 19582 1815 1 20 . 1 1 15 15 ILE CA C 15 64.300 64.300 62.917 1.383 19582 1816 1 20 . 1 1 15 15 ILE CB C 15 37.700 37.700 36.857 0.843 19582 1817 1 20 . 1 1 15 15 ILE H H 15 7.930 7.930 7.646 0.284 19582 1818 1 20 . 1 1 16 16 LYS HA H 16 3.920 3.920 3.983 -0.063 19582 1819 1 20 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.330 0.770 19582 1820 1 20 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.066 -0.067 19582 1821 1 20 . 1 1 16 16 LYS H H 16 7.880 7.880 7.319 0.561 19582 1822 1 20 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.647 0.433 19582 1823 1 20 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.708 0.492 19582 1824 1 20 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.489 0.211 19582 1825 1 20 . 1 1 17 17 LEU H H 17 7.580 7.580 7.793 -0.213 19582 1826 1 20 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.914 0.226 19582 1827 1 20 . 1 1 18 18 PHE CA C 18 61.900 61.900 61.961 -0.061 19582 1828 1 20 . 1 1 18 18 PHE CB C 18 38.900 38.900 39.022 -0.121 19582 1829 1 20 . 1 1 18 18 PHE H H 18 8.140 8.140 7.504 0.636 19582 1830 1 20 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.426 0.164 19582 1831 1 20 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.198 -0.098 19582 1832 1 20 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.689 0.211 19582 1833 1 20 . 1 1 19 19 ILE H H 19 8.470 8.470 7.387 1.083 19582 1834 1 20 . 1 1 20 20 MET HA H 20 4.130 4.130 3.927 0.203 19582 1835 1 20 . 1 1 20 20 MET CA C 20 59.100 59.100 59.344 -0.244 19582 1836 1 20 . 1 1 20 20 MET CB C 20 32.600 32.600 32.454 0.146 19582 1837 1 20 . 1 1 20 20 MET H H 20 8.110 8.110 7.580 0.530 19582 1838 1 20 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.598 0.212 19582 1839 1 20 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.240 -0.140 19582 1840 1 20 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.664 0.636 19582 1841 1 20 . 1 1 21 21 ILE H H 21 8.550 8.550 8.151 0.399 19582 1842 1 20 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.519 0.081 19582 1843 1 20 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.310 0.590 19582 1844 1 20 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.519 0.681 19582 1845 1 20 . 1 1 22 22 VAL H H 22 8.640 8.640 8.176 0.464 19582 1846 1 20 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.156 -0.256 19582 1847 1 20 . 1 1 23 23 GLY H H 23 8.320 8.320 8.077 0.243 19582 1848 1 20 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.847 1.753 19582 1849 1 20 . 1 1 24 24 GLY H H 24 7.620 7.620 7.386 0.234 19582 1850 1 20 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.330 -0.100 19582 1851 1 20 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.261 -0.161 19582 1852 1 20 . 1 1 25 25 LEU H H 25 8.050 8.050 7.709 0.341 19582 1853 1 20 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.696 0.134 19582 1854 1 20 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.454 -0.154 19582 1855 1 20 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.041 -0.041 19582 1856 1 20 . 1 1 26 26 VAL H H 26 8.310 8.310 8.203 0.107 19582 1857 1 20 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.256 -0.036 19582 1858 1 20 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.520 1.179 19582 1859 1 20 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.664 -0.164 19582 1860 1 20 . 1 1 27 27 LYS H H 27 7.850 7.850 8.152 -0.302 19582 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 19582 2 1 1 "Average Difference" HA 27 0.175 -0.058 0.168 19582 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19582 4 1 1 "Average Difference" CA 22 1.124 0.023 1.150 19582 5 1 1 "Average Difference" CB 23 0.612 -0.160 0.604 19582 6 1 1 "Average Difference" HN 25 0.446 -0.151 0.429 19582 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19582 8 1 2 "Average Difference" HA 27 0.249 -0.077 0.241 19582 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19582 10 1 2 "Average Difference" CA 22 1.016 -0.020 1.040 19582 11 1 2 "Average Difference" CB 23 0.507 -0.265 0.442 19582 12 1 2 "Average Difference" HN 25 0.487 -0.129 0.479 19582 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19582 14 1 3 "Average Difference" HA 27 0.231 -0.062 0.227 19582 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19582 16 1 3 "Average Difference" CA 22 1.152 -0.100 1.174 19582 17 1 3 "Average Difference" CB 23 0.491 -0.167 0.472 19582 18 1 3 "Average Difference" HN 25 0.471 -0.113 0.467 19582 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19582 20 1 4 "Average Difference" HA 27 0.206 -0.069 0.197 19582 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19582 22 1 4 "Average Difference" CA 22 1.140 0.060 1.166 19582 23 1 4 "Average Difference" CB 23 0.562 -0.131 0.559 19582 24 1 4 "Average Difference" HN 25 0.455 -0.127 0.446 19582 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19582 26 1 5 "Average Difference" HA 27 0.217 -0.095 0.199 19582 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19582 28 1 5 "Average Difference" CA 22 1.077 0.099 1.098 19582 29 1 5 "Average Difference" CB 23 0.625 -0.131 0.624 19582 30 1 5 "Average Difference" HN 25 0.472 -0.016 0.482 19582 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19582 32 1 6 "Average Difference" HA 27 0.219 -0.094 0.202 19582 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19582 34 1 6 "Average Difference" CA 22 1.162 0.094 1.186 19582 35 1 6 "Average Difference" CB 23 0.604 -0.318 0.525 19582 36 1 6 "Average Difference" HN 25 0.456 -0.108 0.452 19582 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19582 38 1 7 "Average Difference" HA 27 0.195 -0.108 0.165 19582 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19582 40 1 7 "Average Difference" CA 22 1.162 0.096 1.185 19582 41 1 7 "Average Difference" CB 23 0.490 -0.137 0.481 19582 42 1 7 "Average Difference" HN 25 0.429 -0.088 0.429 19582 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19582 44 1 8 "Average Difference" HA 27 0.231 -0.059 0.227 19582 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19582 46 1 8 "Average Difference" CA 22 1.276 -0.010 1.306 19582 47 1 8 "Average Difference" CB 23 0.761 -0.216 0.746 19582 48 1 8 "Average Difference" HN 25 0.431 -0.140 0.416 19582 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19582 50 1 9 "Average Difference" HA 27 0.216 -0.091 0.200 19582 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19582 52 1 9 "Average Difference" CA 22 1.138 0.022 1.165 19582 53 1 9 "Average Difference" CB 23 0.698 -0.204 0.682 19582 54 1 9 "Average Difference" HN 25 0.475 -0.067 0.479 19582 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19582 56 1 10 "Average Difference" HA 27 0.194 -0.099 0.170 19582 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19582 58 1 10 "Average Difference" CA 22 1.068 -0.032 1.092 19582 59 1 10 "Average Difference" CB 23 0.555 -0.242 0.510 19582 60 1 10 "Average Difference" HN 25 0.498 -0.066 0.504 19582 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19582 62 1 11 "Average Difference" HA 27 0.211 -0.080 0.199 19582 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19582 64 1 11 "Average Difference" CA 22 1.177 -0.024 1.204 19582 65 1 11 "Average Difference" CB 23 0.623 -0.289 0.565 19582 66 1 11 "Average Difference" HN 25 0.457 -0.161 0.437 19582 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19582 68 1 12 "Average Difference" HA 27 0.195 -0.093 0.175 19582 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19582 70 1 12 "Average Difference" CA 22 1.034 0.109 1.052 19582 71 1 12 "Average Difference" CB 23 0.598 -0.251 0.556 19582 72 1 12 "Average Difference" HN 25 0.445 -0.084 0.446 19582 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19582 74 1 13 "Average Difference" HA 27 0.236 -0.087 0.224 19582 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19582 76 1 13 "Average Difference" CA 22 1.061 -0.104 1.081 19582 77 1 13 "Average Difference" CB 23 0.563 -0.251 0.515 19582 78 1 13 "Average Difference" HN 25 0.445 -0.077 0.448 19582 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19582 80 1 14 "Average Difference" HA 27 0.250 -0.136 0.214 19582 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19582 82 1 14 "Average Difference" CA 22 1.215 0.243 1.219 19582 83 1 14 "Average Difference" CB 23 0.686 -0.097 0.694 19582 84 1 14 "Average Difference" HN 25 0.434 -0.055 0.439 19582 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19582 86 1 15 "Average Difference" HA 27 0.221 -0.090 0.206 19582 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19582 88 1 15 "Average Difference" CA 22 0.996 -0.030 1.019 19582 89 1 15 "Average Difference" CB 23 0.650 -0.268 0.606 19582 90 1 15 "Average Difference" HN 25 0.460 -0.121 0.453 19582 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19582 92 1 16 "Average Difference" HA 27 0.202 -0.107 0.175 19582 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19582 94 1 16 "Average Difference" CA 22 1.043 0.143 1.058 19582 95 1 16 "Average Difference" CB 23 0.572 -0.238 0.532 19582 96 1 16 "Average Difference" HN 25 0.500 -0.054 0.507 19582 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19582 98 1 17 "Average Difference" HA 27 0.206 -0.094 0.187 19582 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19582 100 1 17 "Average Difference" CA 22 1.219 0.036 1.247 19582 101 1 17 "Average Difference" CB 23 0.655 -0.180 0.644 19582 102 1 17 "Average Difference" HN 25 0.399 -0.067 0.402 19582 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19582 104 1 18 "Average Difference" HA 27 0.236 -0.080 0.226 19582 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19582 106 1 18 "Average Difference" CA 22 1.186 0.149 1.204 19582 107 1 18 "Average Difference" CB 23 0.594 -0.210 0.568 19582 108 1 18 "Average Difference" HN 25 0.493 -0.141 0.482 19582 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19582 110 1 19 "Average Difference" HA 27 0.245 -0.114 0.221 19582 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19582 112 1 19 "Average Difference" CA 22 1.059 0.161 1.072 19582 113 1 19 "Average Difference" CB 23 0.577 -0.289 0.511 19582 114 1 19 "Average Difference" HN 25 0.460 -0.177 0.433 19582 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19582 116 1 20 "Average Difference" HA 27 0.236 -0.074 0.228 19582 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19582 118 1 20 "Average Difference" CA 22 1.080 0.014 1.105 19582 119 1 20 "Average Difference" CB 23 0.650 -0.232 0.620 19582 120 1 20 "Average Difference" HN 25 0.476 -0.201 0.440 19582 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 19582 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.430 4.430 4.420 0.010 19582 2 1 . 1 1 2 2 LYS CA C 2 56.600 56.600 56.449 0.151 19582 3 1 . 1 1 2 2 LYS CB C 2 33.500 33.500 32.930 0.570 19582 4 1 . 1 1 3 3 LYS HA H 3 4.380 4.380 4.415 -0.035 19582 5 1 . 1 1 3 3 LYS CA C 3 56.700 56.700 56.178 0.522 19582 6 1 . 1 1 3 3 LYS CB C 3 33.300 33.300 33.605 -0.305 19582 7 1 . 1 1 3 3 LYS H H 3 8.380 8.380 8.351 0.029 19582 8 1 . 1 1 4 4 ASN CB C 4 39.500 39.500 39.997 -0.497 19582 9 1 . 1 1 4 4 ASN H H 4 8.570 8.570 8.368 0.202 19582 10 1 . 1 1 5 5 TRP HA H 5 4.460 4.460 4.447 0.013 19582 11 1 . 1 1 5 5 TRP CA C 5 59.200 59.200 59.099 0.101 19582 12 1 . 1 1 5 5 TRP CB C 5 29.200 29.200 28.819 0.381 19582 13 1 . 1 1 5 5 TRP H H 5 8.000 8.000 8.946 -0.946 19582 14 1 . 1 1 6 6 PHE HA H 6 4.280 4.280 3.608 0.672 19582 15 1 . 1 1 6 6 PHE CA C 6 59.000 59.000 60.593 -1.593 19582 16 1 . 1 1 6 6 PHE CB C 6 38.500 38.500 38.396 0.104 19582 17 1 . 1 1 6 6 PHE H H 6 7.400 7.400 7.381 0.019 19582 18 1 . 1 1 7 7 ASP HA H 7 4.590 4.590 4.472 0.118 19582 19 1 . 1 1 7 7 ASP CA C 7 55.700 55.700 57.054 -1.354 19582 20 1 . 1 1 7 7 ASP CB C 7 41.400 41.400 41.118 0.282 19582 21 1 . 1 1 7 7 ASP H H 7 7.860 7.860 7.849 0.011 19582 22 1 . 1 1 8 8 ILE HA H 8 4.050 4.050 4.062 -0.012 19582 23 1 . 1 1 8 8 ILE CA C 8 65.400 65.400 63.661 1.739 19582 24 1 . 1 1 8 8 ILE CB C 8 38.600 38.600 36.909 1.691 19582 25 1 . 1 1 8 8 ILE H H 8 7.840 7.840 7.535 0.305 19582 26 1 . 1 1 9 9 THR HA H 9 4.050 4.050 4.002 0.048 19582 27 1 . 1 1 9 9 THR CA C 9 64.000 64.000 66.453 -2.453 19582 28 1 . 1 1 9 9 THR CB C 9 69.100 69.100 68.341 0.759 19582 29 1 . 1 1 9 9 THR H H 9 8.080 8.080 8.145 -0.065 19582 30 1 . 1 1 10 10 ASN HA H 10 4.650 4.650 4.457 0.193 19582 31 1 . 1 1 10 10 ASN CB C 10 38.700 38.700 38.122 0.578 19582 32 1 . 1 1 10 10 ASN H H 10 7.930 7.930 7.695 0.235 19582 33 1 . 1 1 11 11 TRP HA H 11 4.750 4.750 4.441 0.308 19582 34 1 . 1 1 11 11 TRP CB C 11 29.500 29.500 29.442 0.058 19582 35 1 . 1 1 11 11 TRP H H 11 7.910 7.910 7.547 0.363 19582 36 1 . 1 1 12 12 LEU HA H 12 4.050 4.050 4.008 0.042 19582 37 1 . 1 1 12 12 LEU CA C 12 57.900 57.900 58.212 -0.312 19582 38 1 . 1 1 12 12 LEU CB C 12 41.800 41.800 41.714 0.086 19582 39 1 . 1 1 12 12 LEU H H 12 8.000 8.000 8.091 -0.091 19582 40 1 . 1 1 13 13 TRP HA H 13 4.250 4.250 4.310 -0.060 19582 41 1 . 1 1 13 13 TRP CA C 13 60.300 60.300 61.543 -1.243 19582 42 1 . 1 1 13 13 TRP CB C 13 28.700 28.700 29.225 -0.525 19582 43 1 . 1 1 13 13 TRP H H 13 7.850 7.850 8.001 -0.151 19582 44 1 . 1 1 14 14 TYR HA H 14 4.050 4.050 4.016 0.034 19582 45 1 . 1 1 14 14 TYR CA C 14 61.300 61.300 61.864 -0.565 19582 46 1 . 1 1 14 14 TYR H H 14 7.400 7.400 7.633 -0.233 19582 47 1 . 1 1 15 15 ILE HA H 15 3.800 3.800 3.619 0.181 19582 48 1 . 1 1 15 15 ILE CA C 15 64.300 64.300 64.834 -0.534 19582 49 1 . 1 1 15 15 ILE CB C 15 37.700 37.700 37.561 0.139 19582 50 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.884 0.046 19582 51 1 . 1 1 16 16 LYS HA H 16 3.920 3.920 4.013 -0.093 19582 52 1 . 1 1 16 16 LYS CA C 16 60.100 60.100 59.119 0.981 19582 53 1 . 1 1 16 16 LYS CB C 16 32.000 32.000 32.056 -0.056 19582 54 1 . 1 1 16 16 LYS H H 16 7.880 7.880 7.620 0.260 19582 55 1 . 1 1 17 17 LEU HA H 17 4.080 4.080 3.795 0.285 19582 56 1 . 1 1 17 17 LEU CA C 17 58.200 58.200 57.646 0.554 19582 57 1 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.316 0.384 19582 58 1 . 1 1 17 17 LEU H H 17 7.580 7.580 7.728 -0.148 19582 59 1 . 1 1 18 18 PHE HA H 18 4.140 4.140 3.953 0.187 19582 60 1 . 1 1 18 18 PHE CA C 18 61.900 61.900 62.085 -0.185 19582 61 1 . 1 1 18 18 PHE CB C 18 38.900 38.900 38.905 -0.005 19582 62 1 . 1 1 18 18 PHE H H 18 8.140 8.140 7.679 0.461 19582 63 1 . 1 1 19 19 ILE HA H 19 3.590 3.590 3.475 0.115 19582 64 1 . 1 1 19 19 ILE CA C 19 65.100 65.100 65.234 -0.134 19582 65 1 . 1 1 19 19 ILE CB C 19 37.900 37.900 37.738 0.162 19582 66 1 . 1 1 19 19 ILE H H 19 8.470 8.470 7.553 0.917 19582 67 1 . 1 1 20 20 MET HA H 20 4.130 4.130 4.018 0.112 19582 68 1 . 1 1 20 20 MET CA C 20 59.100 59.100 58.869 0.230 19582 69 1 . 1 1 20 20 MET CB C 20 32.600 32.600 32.269 0.331 19582 70 1 . 1 1 20 20 MET H H 20 8.110 8.110 7.536 0.574 19582 71 1 . 1 1 21 21 ILE HA H 21 3.810 3.810 3.613 0.197 19582 72 1 . 1 1 21 21 ILE CA C 21 65.100 65.100 65.180 -0.080 19582 73 1 . 1 1 21 21 ILE CB C 21 38.300 38.300 37.732 0.568 19582 74 1 . 1 1 21 21 ILE H H 21 8.550 8.550 8.080 0.470 19582 75 1 . 1 1 22 22 VAL HA H 22 3.600 3.600 3.465 0.135 19582 76 1 . 1 1 22 22 VAL CA C 22 66.900 66.900 66.329 0.571 19582 77 1 . 1 1 22 22 VAL CB C 22 31.200 31.200 30.697 0.503 19582 78 1 . 1 1 22 22 VAL H H 22 8.640 8.640 8.222 0.418 19582 79 1 . 1 1 23 23 GLY CA C 23 46.900 46.900 47.127 -0.227 19582 80 1 . 1 1 23 23 GLY H H 23 8.320 8.320 8.303 0.017 19582 81 1 . 1 1 24 24 GLY CA C 24 46.600 46.600 44.787 1.813 19582 82 1 . 1 1 24 24 GLY H H 24 7.620 7.620 7.440 0.180 19582 83 1 . 1 1 25 25 LEU HA H 25 4.230 4.230 4.368 -0.138 19582 84 1 . 1 1 25 25 LEU CB C 25 42.100 42.100 42.351 -0.251 19582 85 1 . 1 1 25 25 LEU H H 25 8.050 8.050 7.707 0.343 19582 86 1 . 1 1 26 26 VAL HA H 26 3.830 3.830 3.716 0.114 19582 87 1 . 1 1 26 26 VAL CA C 26 65.300 65.300 65.445 -0.145 19582 88 1 . 1 1 26 26 VAL CB C 26 32.000 32.000 32.089 -0.089 19582 89 1 . 1 1 26 26 VAL H H 26 8.310 8.310 8.312 -0.002 19582 90 1 . 1 1 27 27 LYS HA H 27 4.220 4.220 4.234 -0.014 19582 91 1 . 1 1 27 27 LYS CA C 27 57.700 57.700 56.558 1.142 19582 92 1 . 1 1 27 27 LYS CB C 27 32.500 32.500 32.448 0.052 19582 93 1 . 1 1 27 27 LYS H H 27 7.850 7.850 8.388 -0.538 19582 stop_ save_