data_18340 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18340 _Entry.PDB_ID 2LR1 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 18340 _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 GLU HA H 131 4.084 4.084 4.081 0.003 18340 2 1 1 . 1 1 2 2 GLU H H 131 8.553 8.553 8.416 0.137 18340 3 1 1 . 1 1 3 3 ALA N N 132 123.300 123.300 121.719 1.581 18340 4 1 1 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.958 0.202 18340 5 1 1 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.132 -1.442 18340 6 1 1 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.525 -0.025 18340 7 1 1 . 1 1 3 3 ALA H H 132 8.601 8.601 7.451 1.150 18340 8 1 1 . 1 1 4 4 LEU N N 133 120.400 120.400 119.212 1.188 18340 9 1 1 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.595 0.618 18340 10 1 1 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.670 -1.720 18340 11 1 1 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.375 1.645 18340 12 1 1 . 1 1 4 4 LEU H H 133 7.984 7.984 7.441 0.543 18340 13 1 1 . 1 1 5 5 LYS N N 134 120.700 120.700 119.035 1.665 18340 14 1 1 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.950 0.190 18340 15 1 1 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.652 -1.862 18340 16 1 1 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.289 0.401 18340 17 1 1 . 1 1 5 5 LYS H H 134 7.988 7.988 7.422 0.566 18340 18 1 1 . 1 1 6 6 LYS N N 135 120.900 120.900 122.532 -1.632 18340 19 1 1 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340 20 1 1 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.151 -2.513 18340 21 1 1 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.956 0.904 18340 22 1 1 . 1 1 6 6 LYS H H 135 8.405 8.405 7.770 0.635 18340 23 1 1 . 1 1 7 7 ALA N N 136 123.900 123.900 124.213 -0.313 18340 24 1 1 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.124 2.060 18340 25 1 1 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.967 -1.757 18340 26 1 1 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.439 0.331 18340 27 1 1 . 1 1 7 7 ALA H H 136 8.085 8.085 7.645 0.440 18340 28 1 1 . 1 1 8 8 LEU N N 137 120.600 120.600 119.308 1.292 18340 29 1 1 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.802 0.442 18340 30 1 1 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.506 -2.559 18340 31 1 1 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.176 1.062 18340 32 1 1 . 1 1 8 8 LEU H H 137 8.191 8.191 7.587 0.604 18340 33 1 1 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.112 0.054 18340 34 1 1 . 1 1 9 9 ARG H H 138 8.099 8.099 7.577 0.522 18340 35 1 1 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.399 -0.196 18340 36 1 1 . 1 1 10 10 ARG H H 139 8.163 8.163 8.020 0.143 18340 37 1 1 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.538 -0.035 18340 38 1 1 . 1 1 11 11 HIS H H 140 8.447 8.447 7.592 0.855 18340 39 1 1 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.080 0.087 18340 40 1 1 . 1 1 12 12 ARG H H 141 8.320 8.320 8.094 0.226 18340 41 1 1 . 1 1 13 13 PHE N N 142 120.300 120.300 118.725 1.575 18340 42 1 1 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.369 0.148 18340 43 1 1 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.847 -3.716 18340 44 1 1 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.233 0.117 18340 45 1 1 . 1 1 13 13 PHE H H 142 8.301 8.301 8.118 0.183 18340 46 1 1 . 1 1 14 14 LEU N N 143 122.800 122.800 121.106 1.694 18340 47 1 1 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.187 0.055 18340 48 1 1 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.866 -1.773 18340 49 1 1 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.697 -0.673 18340 50 1 1 . 1 1 14 14 LEU H H 143 8.270 8.270 7.883 0.387 18340 51 1 1 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.531 -0.092 18340 52 1 1 . 1 1 15 15 TRP H H 144 8.043 8.043 8.925 -0.882 18340 53 1 1 . 1 1 16 16 GLN N N 145 120.900 120.900 117.013 3.887 18340 54 1 1 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.222 -0.132 18340 55 1 1 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.852 -1.361 18340 56 1 1 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.934 0.326 18340 57 1 1 . 1 1 16 16 GLN H H 145 8.037 8.037 8.397 -0.360 18340 58 1 1 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.482 -0.402 18340 59 1 1 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340 60 1 1 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.561 -0.481 18340 61 1 1 . 1 1 18 18 ARG H H 147 8.069 8.069 7.725 0.344 18340 62 1 1 . 1 1 19 19 GLN N N 148 121.600 121.600 119.919 1.681 18340 63 1 1 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.215 -0.140 18340 64 1 1 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.761 -2.800 18340 65 1 1 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.247 2.063 18340 66 1 1 . 1 1 19 19 GLN H H 148 8.370 8.370 8.570 -0.200 18340 67 1 1 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.780 0.281 18340 68 1 1 . 1 1 20 20 ARG H H 149 8.195 8.195 8.126 0.069 18340 69 1 1 . 1 1 21 21 ALA N N 150 126.000 126.000 119.292 6.708 18340 70 1 1 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.718 0.538 18340 71 1 1 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.750 -1.440 18340 72 1 1 . 1 1 21 21 ALA H H 150 8.380 8.380 8.349 0.031 18340 73 1 2 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.060 0.024 18340 74 1 2 . 1 1 2 2 GLU H H 131 8.553 8.553 8.297 0.256 18340 75 1 2 . 1 1 3 3 ALA N N 132 123.300 123.300 121.685 1.615 18340 76 1 2 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.036 0.124 18340 77 1 2 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.679 -0.989 18340 78 1 2 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.995 -0.495 18340 79 1 2 . 1 1 3 3 ALA H H 132 8.601 8.601 7.340 1.261 18340 80 1 2 . 1 1 4 4 LEU N N 133 120.400 120.400 120.199 0.201 18340 81 1 2 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.466 0.747 18340 82 1 2 . 1 1 4 4 LEU CA C 133 55.950 55.950 59.126 -3.176 18340 83 1 2 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.402 0.618 18340 84 1 2 . 1 1 4 4 LEU H H 133 7.984 7.984 7.466 0.518 18340 85 1 2 . 1 1 5 5 LYS N N 134 120.700 120.700 117.870 2.830 18340 86 1 2 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.929 0.211 18340 87 1 2 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.357 -1.567 18340 88 1 2 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.506 0.184 18340 89 1 2 . 1 1 5 5 LYS H H 134 7.988 7.988 7.492 0.496 18340 90 1 2 . 1 1 6 6 LYS N N 135 120.900 120.900 119.756 1.144 18340 91 1 2 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.895 0.227 18340 92 1 2 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.895 -2.257 18340 93 1 2 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.215 0.645 18340 94 1 2 . 1 1 6 6 LYS H H 135 8.405 8.405 7.742 0.663 18340 95 1 2 . 1 1 7 7 ALA N N 136 123.900 123.900 124.765 -0.865 18340 96 1 2 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.897 2.287 18340 97 1 2 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.483 -1.273 18340 98 1 2 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.393 0.377 18340 99 1 2 . 1 1 7 7 ALA H H 136 8.085 8.085 7.502 0.583 18340 100 1 2 . 1 1 8 8 LEU N N 137 120.600 120.600 118.970 1.630 18340 101 1 2 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.713 0.531 18340 102 1 2 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.603 -2.656 18340 103 1 2 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.089 1.149 18340 104 1 2 . 1 1 8 8 LEU H H 137 8.191 8.191 7.490 0.701 18340 105 1 2 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.073 0.093 18340 106 1 2 . 1 1 9 9 ARG H H 138 8.099 8.099 7.474 0.625 18340 107 1 2 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340 108 1 2 . 1 1 10 10 ARG H H 139 8.163 8.163 7.947 0.216 18340 109 1 2 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.499 0.004 18340 110 1 2 . 1 1 11 11 HIS H H 140 8.447 8.447 7.570 0.877 18340 111 1 2 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.019 0.148 18340 112 1 2 . 1 1 12 12 ARG H H 141 8.320 8.320 7.877 0.443 18340 113 1 2 . 1 1 13 13 PHE N N 142 120.300 120.300 118.801 1.499 18340 114 1 2 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.372 0.145 18340 115 1 2 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.612 -3.482 18340 116 1 2 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.238 0.112 18340 117 1 2 . 1 1 13 13 PHE H H 142 8.301 8.301 8.104 0.197 18340 118 1 2 . 1 1 14 14 LEU N N 143 122.800 122.800 121.095 1.705 18340 119 1 2 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.183 0.059 18340 120 1 2 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.851 -1.758 18340 121 1 2 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.691 -0.667 18340 122 1 2 . 1 1 14 14 LEU H H 143 8.270 8.270 7.867 0.403 18340 123 1 2 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.498 -0.059 18340 124 1 2 . 1 1 15 15 TRP H H 144 8.043 8.043 8.912 -0.869 18340 125 1 2 . 1 1 16 16 GLN N N 145 120.900 120.900 117.008 3.892 18340 126 1 2 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.226 -0.136 18340 127 1 2 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.849 -1.358 18340 128 1 2 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.933 0.327 18340 129 1 2 . 1 1 16 16 GLN H H 145 8.037 8.037 8.393 -0.356 18340 130 1 2 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.460 -0.380 18340 131 1 2 . 1 1 17 17 ARG H H 146 8.069 8.069 7.783 0.286 18340 132 1 2 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.473 -0.393 18340 133 1 2 . 1 1 18 18 ARG H H 147 8.069 8.069 7.711 0.358 18340 134 1 2 . 1 1 19 19 GLN N N 148 121.600 121.600 119.360 2.240 18340 135 1 2 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.149 -0.074 18340 136 1 2 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.664 -2.703 18340 137 1 2 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.138 2.172 18340 138 1 2 . 1 1 19 19 GLN H H 148 8.370 8.370 8.533 -0.163 18340 139 1 2 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.929 0.132 18340 140 1 2 . 1 1 20 20 ARG H H 149 8.195 8.195 8.067 0.128 18340 141 1 2 . 1 1 21 21 ALA N N 150 126.000 126.000 119.629 6.371 18340 142 1 2 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.772 0.484 18340 143 1 2 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.883 -1.573 18340 144 1 2 . 1 1 21 21 ALA H H 150 8.380 8.380 8.361 0.019 18340 145 1 3 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.068 0.016 18340 146 1 3 . 1 1 2 2 GLU H H 131 8.553 8.553 8.310 0.243 18340 147 1 3 . 1 1 3 3 ALA N N 132 123.300 123.300 121.575 1.725 18340 148 1 3 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.994 0.166 18340 149 1 3 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.920 -1.230 18340 150 1 3 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.929 -0.429 18340 151 1 3 . 1 1 3 3 ALA H H 132 8.601 8.601 7.401 1.200 18340 152 1 3 . 1 1 4 4 LEU N N 133 120.400 120.400 118.960 1.440 18340 153 1 3 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.628 0.585 18340 154 1 3 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.623 -1.673 18340 155 1 3 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.334 1.686 18340 156 1 3 . 1 1 4 4 LEU H H 133 7.984 7.984 7.455 0.529 18340 157 1 3 . 1 1 5 5 LYS N N 134 120.700 120.700 119.680 1.020 18340 158 1 3 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.885 0.255 18340 159 1 3 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.663 -1.873 18340 160 1 3 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.329 0.361 18340 161 1 3 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340 162 1 3 . 1 1 6 6 LYS N N 135 120.900 120.900 122.185 -1.285 18340 163 1 3 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340 164 1 3 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.252 -2.614 18340 165 1 3 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.920 0.940 18340 166 1 3 . 1 1 6 6 LYS H H 135 8.405 8.405 7.739 0.666 18340 167 1 3 . 1 1 7 7 ALA N N 136 123.900 123.900 124.019 -0.119 18340 168 1 3 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.114 2.070 18340 169 1 3 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.839 -1.629 18340 170 1 3 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.465 0.305 18340 171 1 3 . 1 1 7 7 ALA H H 136 8.085 8.085 7.668 0.417 18340 172 1 3 . 1 1 8 8 LEU N N 137 120.600 120.600 121.335 -0.735 18340 173 1 3 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.825 0.419 18340 174 1 3 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.300 -2.353 18340 175 1 3 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.689 0.549 18340 176 1 3 . 1 1 8 8 LEU H H 137 8.191 8.191 7.520 0.671 18340 177 1 3 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.076 0.090 18340 178 1 3 . 1 1 9 9 ARG H H 138 8.099 8.099 7.499 0.600 18340 179 1 3 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.390 -0.187 18340 180 1 3 . 1 1 10 10 ARG H H 139 8.163 8.163 8.004 0.159 18340 181 1 3 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.550 -0.047 18340 182 1 3 . 1 1 11 11 HIS H H 140 8.447 8.447 7.633 0.814 18340 183 1 3 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340 184 1 3 . 1 1 12 12 ARG H H 141 8.320 8.320 7.916 0.404 18340 185 1 3 . 1 1 13 13 PHE N N 142 120.300 120.300 118.806 1.494 18340 186 1 3 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340 187 1 3 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.626 -3.495 18340 188 1 3 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340 189 1 3 . 1 1 13 13 PHE H H 142 8.301 8.301 8.125 0.176 18340 190 1 3 . 1 1 14 14 LEU N N 143 122.800 122.800 120.952 1.848 18340 191 1 3 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340 192 1 3 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.911 -1.818 18340 193 1 3 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340 194 1 3 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340 195 1 3 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340 196 1 3 . 1 1 15 15 TRP H H 144 8.043 8.043 8.918 -0.875 18340 197 1 3 . 1 1 16 16 GLN N N 145 120.900 120.900 117.026 3.874 18340 198 1 3 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.236 -0.146 18340 199 1 3 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.861 -1.370 18340 200 1 3 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.935 0.325 18340 201 1 3 . 1 1 16 16 GLN H H 145 8.037 8.037 8.404 -0.367 18340 202 1 3 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.479 -0.399 18340 203 1 3 . 1 1 17 17 ARG H H 146 8.069 8.069 7.790 0.279 18340 204 1 3 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.467 -0.387 18340 205 1 3 . 1 1 18 18 ARG H H 147 8.069 8.069 7.742 0.327 18340 206 1 3 . 1 1 19 19 GLN N N 148 121.600 121.600 119.063 2.537 18340 207 1 3 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.176 -0.101 18340 208 1 3 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.795 -2.834 18340 209 1 3 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.125 2.186 18340 210 1 3 . 1 1 19 19 GLN H H 148 8.370 8.370 8.565 -0.195 18340 211 1 3 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.962 0.099 18340 212 1 3 . 1 1 20 20 ARG H H 149 8.195 8.195 8.112 0.083 18340 213 1 3 . 1 1 21 21 ALA N N 150 126.000 126.000 119.679 6.321 18340 214 1 3 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.788 0.468 18340 215 1 3 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.900 -1.590 18340 216 1 3 . 1 1 21 21 ALA H H 150 8.380 8.380 8.386 -0.006 18340 217 1 4 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.080 0.004 18340 218 1 4 . 1 1 2 2 GLU H H 131 8.553 8.553 8.408 0.145 18340 219 1 4 . 1 1 3 3 ALA N N 132 123.300 123.300 121.750 1.550 18340 220 1 4 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.969 0.191 18340 221 1 4 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.158 -1.468 18340 222 1 4 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.492 0.008 18340 223 1 4 . 1 1 3 3 ALA H H 132 8.601 8.601 7.477 1.124 18340 224 1 4 . 1 1 4 4 LEU N N 133 120.400 120.400 119.235 1.165 18340 225 1 4 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.600 0.613 18340 226 1 4 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.666 -1.716 18340 227 1 4 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.386 1.634 18340 228 1 4 . 1 1 4 4 LEU H H 133 7.984 7.984 7.431 0.553 18340 229 1 4 . 1 1 5 5 LYS N N 134 120.700 120.700 118.973 1.727 18340 230 1 4 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.989 0.151 18340 231 1 4 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.580 -1.790 18340 232 1 4 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.291 0.399 18340 233 1 4 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340 234 1 4 . 1 1 6 6 LYS N N 135 120.900 120.900 122.698 -1.798 18340 235 1 4 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.886 0.236 18340 236 1 4 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.809 -3.171 18340 237 1 4 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.010 0.850 18340 238 1 4 . 1 1 6 6 LYS H H 135 8.405 8.405 7.816 0.589 18340 239 1 4 . 1 1 7 7 ALA N N 136 123.900 123.900 123.862 0.038 18340 240 1 4 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.061 2.123 18340 241 1 4 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.068 -1.858 18340 242 1 4 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.454 0.316 18340 243 1 4 . 1 1 7 7 ALA H H 136 8.085 8.085 7.606 0.479 18340 244 1 4 . 1 1 8 8 LEU N N 137 120.600 120.600 119.302 1.298 18340 245 1 4 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.808 0.436 18340 246 1 4 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.563 -2.616 18340 247 1 4 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.135 1.103 18340 248 1 4 . 1 1 8 8 LEU H H 137 8.191 8.191 7.605 0.586 18340 249 1 4 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.110 0.056 18340 250 1 4 . 1 1 9 9 ARG H H 138 8.099 8.099 7.600 0.499 18340 251 1 4 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.392 -0.189 18340 252 1 4 . 1 1 10 10 ARG H H 139 8.163 8.163 8.021 0.142 18340 253 1 4 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.557 -0.054 18340 254 1 4 . 1 1 11 11 HIS H H 140 8.447 8.447 7.643 0.804 18340 255 1 4 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.025 0.142 18340 256 1 4 . 1 1 12 12 ARG H H 141 8.320 8.320 8.046 0.274 18340 257 1 4 . 1 1 13 13 PHE N N 142 120.300 120.300 118.820 1.480 18340 258 1 4 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.378 0.139 18340 259 1 4 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.621 -3.490 18340 260 1 4 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.246 0.103 18340 261 1 4 . 1 1 13 13 PHE H H 142 8.301 8.301 8.126 0.175 18340 262 1 4 . 1 1 14 14 LEU N N 143 122.800 122.800 121.090 1.710 18340 263 1 4 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340 264 1 4 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.872 -1.779 18340 265 1 4 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.708 -0.684 18340 266 1 4 . 1 1 14 14 LEU H H 143 8.270 8.270 7.878 0.392 18340 267 1 4 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.498 -0.059 18340 268 1 4 . 1 1 15 15 TRP H H 144 8.043 8.043 8.915 -0.872 18340 269 1 4 . 1 1 16 16 GLN N N 145 120.900 120.900 117.017 3.883 18340 270 1 4 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.221 -0.131 18340 271 1 4 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.844 -1.353 18340 272 1 4 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.939 0.321 18340 273 1 4 . 1 1 16 16 GLN H H 145 8.037 8.037 8.394 -0.357 18340 274 1 4 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.468 -0.388 18340 275 1 4 . 1 1 17 17 ARG H H 146 8.069 8.069 7.765 0.304 18340 276 1 4 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.442 -0.362 18340 277 1 4 . 1 1 18 18 ARG H H 147 8.069 8.069 7.703 0.366 18340 278 1 4 . 1 1 19 19 GLN N N 148 121.600 121.600 119.025 2.575 18340 279 1 4 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.159 -0.084 18340 280 1 4 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.758 -2.797 18340 281 1 4 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.101 2.209 18340 282 1 4 . 1 1 19 19 GLN H H 148 8.370 8.370 8.522 -0.152 18340 283 1 4 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.913 0.148 18340 284 1 4 . 1 1 20 20 ARG H H 149 8.195 8.195 7.988 0.207 18340 285 1 4 . 1 1 21 21 ALA N N 150 126.000 126.000 119.633 6.367 18340 286 1 4 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.761 0.495 18340 287 1 4 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.875 -1.565 18340 288 1 4 . 1 1 21 21 ALA H H 150 8.380 8.380 8.354 0.026 18340 289 1 5 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.064 0.020 18340 290 1 5 . 1 1 2 2 GLU H H 131 8.553 8.553 8.369 0.184 18340 291 1 5 . 1 1 3 3 ALA N N 132 123.300 123.300 121.177 2.123 18340 292 1 5 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.970 0.190 18340 293 1 5 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.127 -1.437 18340 294 1 5 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.447 0.053 18340 295 1 5 . 1 1 3 3 ALA H H 132 8.601 8.601 7.428 1.173 18340 296 1 5 . 1 1 4 4 LEU N N 133 120.400 120.400 119.245 1.155 18340 297 1 5 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.592 0.621 18340 298 1 5 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.655 -1.705 18340 299 1 5 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.378 1.642 18340 300 1 5 . 1 1 4 4 LEU H H 133 7.984 7.984 7.454 0.530 18340 301 1 5 . 1 1 5 5 LYS N N 134 120.700 120.700 119.015 1.685 18340 302 1 5 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.922 0.218 18340 303 1 5 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.822 -2.032 18340 304 1 5 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.260 0.430 18340 305 1 5 . 1 1 5 5 LYS H H 134 7.988 7.988 7.433 0.555 18340 306 1 5 . 1 1 6 6 LYS N N 135 120.900 120.900 122.689 -1.789 18340 307 1 5 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.869 0.253 18340 308 1 5 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.767 -3.129 18340 309 1 5 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.992 0.868 18340 310 1 5 . 1 1 6 6 LYS H H 135 8.405 8.405 7.782 0.623 18340 311 1 5 . 1 1 7 7 ALA N N 136 123.900 123.900 123.724 0.176 18340 312 1 5 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.078 2.106 18340 313 1 5 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.022 -1.812 18340 314 1 5 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.480 0.290 18340 315 1 5 . 1 1 7 7 ALA H H 136 8.085 8.085 7.623 0.462 18340 316 1 5 . 1 1 8 8 LEU N N 137 120.600 120.600 121.228 -0.628 18340 317 1 5 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.744 0.500 18340 318 1 5 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.258 -2.311 18340 319 1 5 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.648 0.590 18340 320 1 5 . 1 1 8 8 LEU H H 137 8.191 8.191 7.498 0.693 18340 321 1 5 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.053 0.113 18340 322 1 5 . 1 1 9 9 ARG H H 138 8.099 8.099 7.471 0.628 18340 323 1 5 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.324 -0.121 18340 324 1 5 . 1 1 10 10 ARG H H 139 8.163 8.163 7.964 0.199 18340 325 1 5 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.438 0.065 18340 326 1 5 . 1 1 11 11 HIS H H 140 8.447 8.447 7.558 0.889 18340 327 1 5 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.027 0.141 18340 328 1 5 . 1 1 12 12 ARG H H 141 8.320 8.320 7.877 0.443 18340 329 1 5 . 1 1 13 13 PHE N N 142 120.300 120.300 118.911 1.389 18340 330 1 5 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.400 0.117 18340 331 1 5 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.639 -3.508 18340 332 1 5 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340 333 1 5 . 1 1 13 13 PHE H H 142 8.301 8.301 8.135 0.166 18340 334 1 5 . 1 1 14 14 LEU N N 143 122.800 122.800 119.899 2.901 18340 335 1 5 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.176 0.066 18340 336 1 5 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.009 -1.916 18340 337 1 5 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.421 -0.397 18340 338 1 5 . 1 1 14 14 LEU H H 143 8.270 8.270 8.012 0.258 18340 339 1 5 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.606 -0.167 18340 340 1 5 . 1 1 15 15 TRP H H 144 8.043 8.043 8.953 -0.910 18340 341 1 5 . 1 1 16 16 GLN N N 145 120.900 120.900 117.071 3.829 18340 342 1 5 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.255 -0.165 18340 343 1 5 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.887 -1.396 18340 344 1 5 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.948 0.312 18340 345 1 5 . 1 1 16 16 GLN H H 145 8.037 8.037 8.436 -0.399 18340 346 1 5 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.502 -0.422 18340 347 1 5 . 1 1 17 17 ARG H H 146 8.069 8.069 7.839 0.230 18340 348 1 5 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.634 -0.554 18340 349 1 5 . 1 1 18 18 ARG H H 147 8.069 8.069 7.858 0.211 18340 350 1 5 . 1 1 19 19 GLN N N 148 121.600 121.600 119.231 2.369 18340 351 1 5 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.269 -0.194 18340 352 1 5 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.861 -2.900 18340 353 1 5 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.144 2.166 18340 354 1 5 . 1 1 19 19 GLN H H 148 8.370 8.370 8.754 -0.384 18340 355 1 5 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.950 0.111 18340 356 1 5 . 1 1 20 20 ARG H H 149 8.195 8.195 8.152 0.043 18340 357 1 5 . 1 1 21 21 ALA N N 150 126.000 126.000 119.581 6.419 18340 358 1 5 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.660 0.596 18340 359 1 5 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.843 -1.533 18340 360 1 5 . 1 1 21 21 ALA H H 150 8.380 8.380 8.349 0.031 18340 361 1 6 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.067 0.017 18340 362 1 6 . 1 1 2 2 GLU H H 131 8.553 8.553 8.366 0.187 18340 363 1 6 . 1 1 3 3 ALA N N 132 123.300 123.300 120.996 2.304 18340 364 1 6 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.971 0.189 18340 365 1 6 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.188 -1.498 18340 366 1 6 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.449 0.051 18340 367 1 6 . 1 1 3 3 ALA H H 132 8.601 8.601 7.421 1.180 18340 368 1 6 . 1 1 4 4 LEU N N 133 120.400 120.400 119.267 1.133 18340 369 1 6 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.601 0.612 18340 370 1 6 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.655 -1.705 18340 371 1 6 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.393 1.627 18340 372 1 6 . 1 1 4 4 LEU H H 133 7.984 7.984 7.473 0.511 18340 373 1 6 . 1 1 5 5 LYS N N 134 120.700 120.700 118.685 2.015 18340 374 1 6 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.880 0.260 18340 375 1 6 . 1 1 5 5 LYS CA C 134 57.790 57.790 60.066 -2.276 18340 376 1 6 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.343 0.347 18340 377 1 6 . 1 1 5 5 LYS H H 134 7.988 7.988 7.427 0.561 18340 378 1 6 . 1 1 6 6 LYS N N 135 120.900 120.900 122.695 -1.795 18340 379 1 6 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.896 0.226 18340 380 1 6 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.791 -3.153 18340 381 1 6 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.020 0.840 18340 382 1 6 . 1 1 6 6 LYS H H 135 8.405 8.405 7.783 0.622 18340 383 1 6 . 1 1 7 7 ALA N N 136 123.900 123.900 123.837 0.063 18340 384 1 6 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.022 2.162 18340 385 1 6 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.130 -1.920 18340 386 1 6 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.451 0.319 18340 387 1 6 . 1 1 7 7 ALA H H 136 8.085 8.085 7.647 0.438 18340 388 1 6 . 1 1 8 8 LEU N N 137 120.600 120.600 118.776 1.824 18340 389 1 6 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.884 0.360 18340 390 1 6 . 1 1 8 8 LEU CA C 137 55.947 55.947 57.379 -1.432 18340 391 1 6 . 1 1 8 8 LEU CB C 137 42.238 42.238 40.227 2.011 18340 392 1 6 . 1 1 8 8 LEU H H 137 8.191 8.191 7.587 0.604 18340 393 1 6 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.089 0.077 18340 394 1 6 . 1 1 9 9 ARG H H 138 8.099 8.099 7.580 0.519 18340 395 1 6 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.356 -0.153 18340 396 1 6 . 1 1 10 10 ARG H H 139 8.163 8.163 8.064 0.099 18340 397 1 6 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.553 -0.050 18340 398 1 6 . 1 1 11 11 HIS H H 140 8.447 8.447 7.658 0.789 18340 399 1 6 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.001 0.166 18340 400 1 6 . 1 1 12 12 ARG H H 141 8.320 8.320 7.874 0.446 18340 401 1 6 . 1 1 13 13 PHE N N 142 120.300 120.300 118.792 1.508 18340 402 1 6 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.387 0.130 18340 403 1 6 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.619 -3.488 18340 404 1 6 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.227 0.122 18340 405 1 6 . 1 1 13 13 PHE H H 142 8.301 8.301 8.125 0.176 18340 406 1 6 . 1 1 14 14 LEU N N 143 122.800 122.800 120.952 1.848 18340 407 1 6 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340 408 1 6 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.924 -1.831 18340 409 1 6 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.670 -0.647 18340 410 1 6 . 1 1 14 14 LEU H H 143 8.270 8.270 7.889 0.381 18340 411 1 6 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340 412 1 6 . 1 1 15 15 TRP H H 144 8.043 8.043 8.920 -0.877 18340 413 1 6 . 1 1 16 16 GLN N N 145 120.900 120.900 116.085 4.815 18340 414 1 6 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.173 -0.083 18340 415 1 6 . 1 1 16 16 GLN CA C 145 56.491 56.491 58.089 -1.598 18340 416 1 6 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.873 0.387 18340 417 1 6 . 1 1 16 16 GLN H H 145 8.037 8.037 8.335 -0.298 18340 418 1 6 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.464 -0.384 18340 419 1 6 . 1 1 17 17 ARG H H 146 8.069 8.069 7.759 0.310 18340 420 1 6 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.480 -0.400 18340 421 1 6 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340 422 1 6 . 1 1 19 19 GLN N N 148 121.600 121.600 119.522 2.078 18340 423 1 6 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.151 -0.076 18340 424 1 6 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.768 -2.807 18340 425 1 6 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.245 2.065 18340 426 1 6 . 1 1 19 19 GLN H H 148 8.370 8.370 8.552 -0.182 18340 427 1 6 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.855 0.206 18340 428 1 6 . 1 1 20 20 ARG H H 149 8.195 8.195 8.170 0.025 18340 429 1 6 . 1 1 21 21 ALA N N 150 126.000 126.000 119.380 6.620 18340 430 1 6 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.846 0.410 18340 431 1 6 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.804 -1.494 18340 432 1 6 . 1 1 21 21 ALA H H 150 8.380 8.380 8.389 -0.009 18340 433 1 7 . 1 1 2 2 GLU HA H 131 4.084 4.084 3.992 0.092 18340 434 1 7 . 1 1 2 2 GLU H H 131 8.553 8.553 8.459 0.094 18340 435 1 7 . 1 1 3 3 ALA N N 132 123.300 123.300 120.363 2.937 18340 436 1 7 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.976 0.184 18340 437 1 7 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.290 -1.600 18340 438 1 7 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.258 0.242 18340 439 1 7 . 1 1 3 3 ALA H H 132 8.601 8.601 7.787 0.814 18340 440 1 7 . 1 1 4 4 LEU N N 133 120.400 120.400 118.519 1.881 18340 441 1 7 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.593 0.620 18340 442 1 7 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.566 -1.615 18340 443 1 7 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.506 1.514 18340 444 1 7 . 1 1 4 4 LEU H H 133 7.984 7.984 7.648 0.336 18340 445 1 7 . 1 1 5 5 LYS N N 134 120.700 120.700 118.898 1.802 18340 446 1 7 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.922 0.218 18340 447 1 7 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.513 -1.723 18340 448 1 7 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.270 0.420 18340 449 1 7 . 1 1 5 5 LYS H H 134 7.988 7.988 7.724 0.264 18340 450 1 7 . 1 1 6 6 LYS N N 135 120.900 120.900 119.847 1.053 18340 451 1 7 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.906 0.216 18340 452 1 7 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.395 -1.757 18340 453 1 7 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.806 1.054 18340 454 1 7 . 1 1 6 6 LYS H H 135 8.405 8.405 7.934 0.471 18340 455 1 7 . 1 1 7 7 ALA N N 136 123.900 123.900 124.284 -0.384 18340 456 1 7 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.885 2.299 18340 457 1 7 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.768 -1.558 18340 458 1 7 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.320 0.450 18340 459 1 7 . 1 1 7 7 ALA H H 136 8.085 8.085 7.532 0.553 18340 460 1 7 . 1 1 8 8 LEU N N 137 120.600 120.600 119.166 1.434 18340 461 1 7 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.703 0.541 18340 462 1 7 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.604 -2.657 18340 463 1 7 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.184 1.054 18340 464 1 7 . 1 1 8 8 LEU H H 137 8.191 8.191 7.437 0.754 18340 465 1 7 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.067 0.099 18340 466 1 7 . 1 1 9 9 ARG H H 138 8.099 8.099 7.475 0.624 18340 467 1 7 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.360 -0.157 18340 468 1 7 . 1 1 10 10 ARG H H 139 8.163 8.163 7.942 0.221 18340 469 1 7 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.482 0.021 18340 470 1 7 . 1 1 11 11 HIS H H 140 8.447 8.447 7.554 0.893 18340 471 1 7 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.015 0.152 18340 472 1 7 . 1 1 12 12 ARG H H 141 8.320 8.320 7.864 0.456 18340 473 1 7 . 1 1 13 13 PHE N N 142 120.300 120.300 118.796 1.504 18340 474 1 7 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.382 0.135 18340 475 1 7 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.617 -3.486 18340 476 1 7 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.226 0.124 18340 477 1 7 . 1 1 13 13 PHE H H 142 8.301 8.301 8.109 0.192 18340 478 1 7 . 1 1 14 14 LEU N N 143 122.800 122.800 120.951 1.849 18340 479 1 7 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.189 0.053 18340 480 1 7 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.918 -1.825 18340 481 1 7 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.671 -0.647 18340 482 1 7 . 1 1 14 14 LEU H H 143 8.270 8.270 7.885 0.385 18340 483 1 7 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340 484 1 7 . 1 1 15 15 TRP H H 144 8.043 8.043 8.915 -0.872 18340 485 1 7 . 1 1 16 16 GLN N N 145 120.900 120.900 117.033 3.867 18340 486 1 7 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.231 -0.141 18340 487 1 7 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.874 -1.383 18340 488 1 7 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.936 0.324 18340 489 1 7 . 1 1 16 16 GLN H H 145 8.037 8.037 8.403 -0.366 18340 490 1 7 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.476 -0.396 18340 491 1 7 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340 492 1 7 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.470 -0.390 18340 493 1 7 . 1 1 18 18 ARG H H 147 8.069 8.069 7.747 0.322 18340 494 1 7 . 1 1 19 19 GLN N N 148 121.600 121.600 119.078 2.522 18340 495 1 7 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.161 -0.086 18340 496 1 7 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.743 -2.782 18340 497 1 7 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.097 2.213 18340 498 1 7 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340 499 1 7 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.959 0.102 18340 500 1 7 . 1 1 20 20 ARG H H 149 8.195 8.195 8.013 0.182 18340 501 1 7 . 1 1 21 21 ALA N N 150 126.000 126.000 119.653 6.347 18340 502 1 7 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.776 0.480 18340 503 1 7 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.881 -1.571 18340 504 1 7 . 1 1 21 21 ALA H H 150 8.380 8.380 8.376 0.004 18340 505 1 8 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.064 0.021 18340 506 1 8 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340 507 1 8 . 1 1 3 3 ALA N N 132 123.300 123.300 120.951 2.349 18340 508 1 8 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.016 0.144 18340 509 1 8 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.875 -1.185 18340 510 1 8 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.414 0.086 18340 511 1 8 . 1 1 3 3 ALA H H 132 8.601 8.601 7.401 1.200 18340 512 1 8 . 1 1 4 4 LEU N N 133 120.400 120.400 119.226 1.174 18340 513 1 8 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.573 0.640 18340 514 1 8 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.645 -1.696 18340 515 1 8 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.368 1.651 18340 516 1 8 . 1 1 4 4 LEU H H 133 7.984 7.984 7.440 0.544 18340 517 1 8 . 1 1 5 5 LYS N N 134 120.700 120.700 118.162 2.538 18340 518 1 8 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.952 0.188 18340 519 1 8 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.450 -1.660 18340 520 1 8 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.435 0.255 18340 521 1 8 . 1 1 5 5 LYS H H 134 7.988 7.988 7.474 0.514 18340 522 1 8 . 1 1 6 6 LYS N N 135 120.900 120.900 119.820 1.080 18340 523 1 8 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.897 0.225 18340 524 1 8 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.908 -2.270 18340 525 1 8 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.233 0.627 18340 526 1 8 . 1 1 6 6 LYS H H 135 8.405 8.405 7.777 0.628 18340 527 1 8 . 1 1 7 7 ALA N N 136 123.900 123.900 124.798 -0.898 18340 528 1 8 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.857 2.328 18340 529 1 8 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.494 -1.284 18340 530 1 8 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.388 0.382 18340 531 1 8 . 1 1 7 7 ALA H H 136 8.085 8.085 7.495 0.590 18340 532 1 8 . 1 1 8 8 LEU N N 137 120.600 120.600 119.150 1.450 18340 533 1 8 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.689 0.555 18340 534 1 8 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.461 -2.514 18340 535 1 8 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.100 1.137 18340 536 1 8 . 1 1 8 8 LEU H H 137 8.191 8.191 7.516 0.675 18340 537 1 8 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.079 0.087 18340 538 1 8 . 1 1 9 9 ARG H H 138 8.099 8.099 7.493 0.606 18340 539 1 8 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.371 -0.168 18340 540 1 8 . 1 1 10 10 ARG H H 139 8.163 8.163 7.930 0.233 18340 541 1 8 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.486 0.017 18340 542 1 8 . 1 1 11 11 HIS H H 140 8.447 8.447 7.568 0.879 18340 543 1 8 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340 544 1 8 . 1 1 12 12 ARG H H 141 8.320 8.320 8.007 0.313 18340 545 1 8 . 1 1 13 13 PHE N N 142 120.300 120.300 118.804 1.496 18340 546 1 8 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.370 0.147 18340 547 1 8 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.610 -3.479 18340 548 1 8 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.234 0.116 18340 549 1 8 . 1 1 13 13 PHE H H 142 8.301 8.301 8.104 0.197 18340 550 1 8 . 1 1 14 14 LEU N N 143 122.800 122.800 121.079 1.721 18340 551 1 8 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340 552 1 8 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.866 -1.773 18340 553 1 8 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.695 -0.671 18340 554 1 8 . 1 1 14 14 LEU H H 143 8.270 8.270 7.865 0.405 18340 555 1 8 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.506 -0.067 18340 556 1 8 . 1 1 15 15 TRP H H 144 8.043 8.043 8.910 -0.867 18340 557 1 8 . 1 1 16 16 GLN N N 145 120.900 120.900 117.014 3.886 18340 558 1 8 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.227 -0.137 18340 559 1 8 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.852 -1.361 18340 560 1 8 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340 561 1 8 . 1 1 16 16 GLN H H 145 8.037 8.037 8.394 -0.357 18340 562 1 8 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.473 -0.393 18340 563 1 8 . 1 1 17 17 ARG H H 146 8.069 8.069 7.769 0.300 18340 564 1 8 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.455 -0.375 18340 565 1 8 . 1 1 18 18 ARG H H 147 8.069 8.069 7.713 0.356 18340 566 1 8 . 1 1 19 19 GLN N N 148 121.600 121.600 119.059 2.541 18340 567 1 8 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.151 -0.076 18340 568 1 8 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.753 -2.792 18340 569 1 8 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.114 2.196 18340 570 1 8 . 1 1 19 19 GLN H H 148 8.370 8.370 8.522 -0.152 18340 571 1 8 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.932 0.129 18340 572 1 8 . 1 1 20 20 ARG H H 149 8.195 8.195 8.095 0.100 18340 573 1 8 . 1 1 21 21 ALA N N 150 126.000 126.000 119.583 6.417 18340 574 1 8 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.787 0.469 18340 575 1 8 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.907 -1.597 18340 576 1 8 . 1 1 21 21 ALA H H 150 8.380 8.380 8.376 0.004 18340 577 1 9 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.071 0.013 18340 578 1 9 . 1 1 2 2 GLU H H 131 8.553 8.553 8.380 0.173 18340 579 1 9 . 1 1 3 3 ALA N N 132 123.300 123.300 120.958 2.342 18340 580 1 9 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.022 0.138 18340 581 1 9 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.911 -1.221 18340 582 1 9 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.452 0.048 18340 583 1 9 . 1 1 3 3 ALA H H 132 8.601 8.601 7.407 1.194 18340 584 1 9 . 1 1 4 4 LEU N N 133 120.400 120.400 119.224 1.176 18340 585 1 9 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.599 0.614 18340 586 1 9 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.672 -1.722 18340 587 1 9 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.382 1.638 18340 588 1 9 . 1 1 4 4 LEU H H 133 7.984 7.984 7.466 0.518 18340 589 1 9 . 1 1 5 5 LYS N N 134 120.700 120.700 118.351 2.349 18340 590 1 9 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.924 0.216 18340 591 1 9 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.684 -1.894 18340 592 1 9 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.392 0.298 18340 593 1 9 . 1 1 5 5 LYS H H 134 7.988 7.988 7.500 0.488 18340 594 1 9 . 1 1 6 6 LYS N N 135 120.900 120.900 119.834 1.066 18340 595 1 9 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.909 0.213 18340 596 1 9 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.914 -2.276 18340 597 1 9 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.230 0.630 18340 598 1 9 . 1 1 6 6 LYS H H 135 8.405 8.405 7.790 0.615 18340 599 1 9 . 1 1 7 7 ALA N N 136 123.900 123.900 124.950 -1.050 18340 600 1 9 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.996 2.188 18340 601 1 9 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.557 -1.347 18340 602 1 9 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.395 0.376 18340 603 1 9 . 1 1 7 7 ALA H H 136 8.085 8.085 7.564 0.521 18340 604 1 9 . 1 1 8 8 LEU N N 137 120.600 120.600 121.261 -0.661 18340 605 1 9 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.814 0.430 18340 606 1 9 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.291 -2.344 18340 607 1 9 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.672 0.566 18340 608 1 9 . 1 1 8 8 LEU H H 137 8.191 8.191 7.512 0.679 18340 609 1 9 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.071 0.095 18340 610 1 9 . 1 1 9 9 ARG H H 138 8.099 8.099 7.487 0.612 18340 611 1 9 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.388 -0.185 18340 612 1 9 . 1 1 10 10 ARG H H 139 8.163 8.163 7.986 0.177 18340 613 1 9 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.547 -0.044 18340 614 1 9 . 1 1 11 11 HIS H H 140 8.447 8.447 7.627 0.820 18340 615 1 9 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340 616 1 9 . 1 1 12 12 ARG H H 141 8.320 8.320 7.907 0.413 18340 617 1 9 . 1 1 13 13 PHE N N 142 120.300 120.300 118.795 1.505 18340 618 1 9 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.389 0.128 18340 619 1 9 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.623 -3.492 18340 620 1 9 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340 621 1 9 . 1 1 13 13 PHE H H 142 8.301 8.301 8.121 0.180 18340 622 1 9 . 1 1 14 14 LEU N N 143 122.800 122.800 120.955 1.845 18340 623 1 9 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.186 0.056 18340 624 1 9 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.924 -1.831 18340 625 1 9 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.667 -0.643 18340 626 1 9 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340 627 1 9 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.531 -0.092 18340 628 1 9 . 1 1 15 15 TRP H H 144 8.043 8.043 8.918 -0.875 18340 629 1 9 . 1 1 16 16 GLN N N 145 120.900 120.900 116.136 4.764 18340 630 1 9 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.226 -0.136 18340 631 1 9 . 1 1 16 16 GLN CA C 145 56.491 56.491 58.140 -1.649 18340 632 1 9 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.905 0.355 18340 633 1 9 . 1 1 16 16 GLN H H 145 8.037 8.037 8.350 -0.313 18340 634 1 9 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.531 -0.451 18340 635 1 9 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340 636 1 9 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.593 -0.513 18340 637 1 9 . 1 1 18 18 ARG H H 147 8.069 8.069 7.771 0.298 18340 638 1 9 . 1 1 19 19 GLN N N 148 121.600 121.600 119.106 2.494 18340 639 1 9 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.203 -0.128 18340 640 1 9 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.837 -2.876 18340 641 1 9 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.134 2.176 18340 642 1 9 . 1 1 19 19 GLN H H 148 8.370 8.370 8.566 -0.196 18340 643 1 9 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.976 0.085 18340 644 1 9 . 1 1 20 20 ARG H H 149 8.195 8.195 8.139 0.056 18340 645 1 9 . 1 1 21 21 ALA N N 150 126.000 126.000 119.629 6.371 18340 646 1 9 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.763 0.493 18340 647 1 9 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.989 -1.679 18340 648 1 9 . 1 1 21 21 ALA H H 150 8.380 8.380 8.463 -0.083 18340 649 1 10 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.075 0.009 18340 650 1 10 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340 651 1 10 . 1 1 3 3 ALA N N 132 123.300 123.300 121.187 2.113 18340 652 1 10 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.984 0.176 18340 653 1 10 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.138 -1.448 18340 654 1 10 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.451 0.049 18340 655 1 10 . 1 1 3 3 ALA H H 132 8.601 8.601 7.445 1.156 18340 656 1 10 . 1 1 4 4 LEU N N 133 120.400 120.400 119.241 1.159 18340 657 1 10 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.620 0.593 18340 658 1 10 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.678 -1.728 18340 659 1 10 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.401 1.619 18340 660 1 10 . 1 1 4 4 LEU H H 133 7.984 7.984 7.464 0.520 18340 661 1 10 . 1 1 5 5 LYS N N 134 120.700 120.700 119.004 1.696 18340 662 1 10 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.939 0.201 18340 663 1 10 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.784 -1.994 18340 664 1 10 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.281 0.409 18340 665 1 10 . 1 1 5 5 LYS H H 134 7.988 7.988 7.436 0.552 18340 666 1 10 . 1 1 6 6 LYS N N 135 120.900 120.900 122.546 -1.646 18340 667 1 10 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.912 0.210 18340 668 1 10 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.126 -2.488 18340 669 1 10 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.958 0.902 18340 670 1 10 . 1 1 6 6 LYS H H 135 8.405 8.405 7.780 0.625 18340 671 1 10 . 1 1 7 7 ALA N N 136 123.900 123.900 124.092 -0.192 18340 672 1 10 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.160 2.024 18340 673 1 10 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.908 -1.698 18340 674 1 10 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.513 0.257 18340 675 1 10 . 1 1 7 7 ALA H H 136 8.085 8.085 7.689 0.397 18340 676 1 10 . 1 1 8 8 LEU N N 137 120.600 120.600 121.339 -0.739 18340 677 1 10 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.844 0.400 18340 678 1 10 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.323 -2.376 18340 679 1 10 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.701 0.537 18340 680 1 10 . 1 1 8 8 LEU H H 137 8.191 8.191 7.553 0.638 18340 681 1 10 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.077 0.089 18340 682 1 10 . 1 1 9 9 ARG H H 138 8.099 8.099 7.513 0.586 18340 683 1 10 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.354 -0.151 18340 684 1 10 . 1 1 10 10 ARG H H 139 8.163 8.163 8.020 0.143 18340 685 1 10 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.523 -0.020 18340 686 1 10 . 1 1 11 11 HIS H H 140 8.447 8.447 7.608 0.839 18340 687 1 10 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.080 0.087 18340 688 1 10 . 1 1 12 12 ARG H H 141 8.320 8.320 7.993 0.327 18340 689 1 10 . 1 1 13 13 PHE N N 142 120.300 120.300 118.812 1.488 18340 690 1 10 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.363 0.154 18340 691 1 10 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.839 -3.708 18340 692 1 10 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.173 0.177 18340 693 1 10 . 1 1 13 13 PHE H H 142 8.301 8.301 8.114 0.187 18340 694 1 10 . 1 1 14 14 LEU N N 143 122.800 122.800 120.469 2.331 18340 695 1 10 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.160 0.082 18340 696 1 10 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.313 -2.220 18340 697 1 10 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.704 -0.680 18340 698 1 10 . 1 1 14 14 LEU H H 143 8.270 8.270 7.899 0.371 18340 699 1 10 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.588 -0.149 18340 700 1 10 . 1 1 15 15 TRP H H 144 8.043 8.043 8.930 -0.887 18340 701 1 10 . 1 1 16 16 GLN N N 145 120.900 120.900 117.046 3.854 18340 702 1 10 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.250 -0.160 18340 703 1 10 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.871 -1.380 18340 704 1 10 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.937 0.323 18340 705 1 10 . 1 1 16 16 GLN H H 145 8.037 8.037 8.414 -0.377 18340 706 1 10 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.472 -0.392 18340 707 1 10 . 1 1 17 17 ARG H H 146 8.069 8.069 7.818 0.251 18340 708 1 10 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.570 -0.490 18340 709 1 10 . 1 1 18 18 ARG H H 147 8.069 8.069 7.828 0.241 18340 710 1 10 . 1 1 19 19 GLN N N 148 121.600 121.600 119.199 2.401 18340 711 1 10 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.221 -0.146 18340 712 1 10 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.837 -2.876 18340 713 1 10 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.148 2.162 18340 714 1 10 . 1 1 19 19 GLN H H 148 8.370 8.370 8.715 -0.345 18340 715 1 10 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.966 0.095 18340 716 1 10 . 1 1 20 20 ARG H H 149 8.195 8.195 8.136 0.059 18340 717 1 10 . 1 1 21 21 ALA N N 150 126.000 126.000 119.674 6.326 18340 718 1 10 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.800 0.456 18340 719 1 10 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.916 -1.605 18340 720 1 10 . 1 1 21 21 ALA H H 150 8.380 8.380 8.412 -0.032 18340 721 1 11 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.083 0.001 18340 722 1 11 . 1 1 2 2 GLU H H 131 8.553 8.553 8.420 0.133 18340 723 1 11 . 1 1 3 3 ALA N N 132 123.300 123.300 121.689 1.611 18340 724 1 11 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.981 0.179 18340 725 1 11 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.999 -1.309 18340 726 1 11 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.645 -0.145 18340 727 1 11 . 1 1 3 3 ALA H H 132 8.601 8.601 7.448 1.153 18340 728 1 11 . 1 1 4 4 LEU N N 133 120.400 120.400 120.048 0.352 18340 729 1 11 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.492 0.721 18340 730 1 11 . 1 1 4 4 LEU CA C 133 55.950 55.950 59.145 -3.195 18340 731 1 11 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.407 0.613 18340 732 1 11 . 1 1 4 4 LEU H H 133 7.984 7.984 7.445 0.539 18340 733 1 11 . 1 1 5 5 LYS N N 134 120.700 120.700 118.049 2.651 18340 734 1 11 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.887 0.253 18340 735 1 11 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.941 -2.151 18340 736 1 11 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.389 0.301 18340 737 1 11 . 1 1 5 5 LYS H H 134 7.988 7.988 7.447 0.541 18340 738 1 11 . 1 1 6 6 LYS N N 135 120.900 120.900 122.684 -1.784 18340 739 1 11 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.887 0.235 18340 740 1 11 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.778 -3.140 18340 741 1 11 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.991 0.869 18340 742 1 11 . 1 1 6 6 LYS H H 135 8.405 8.405 7.792 0.613 18340 743 1 11 . 1 1 7 7 ALA N N 136 123.900 123.900 123.515 0.385 18340 744 1 11 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.106 2.078 18340 745 1 11 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.912 -1.702 18340 746 1 11 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.541 0.229 18340 747 1 11 . 1 1 7 7 ALA H H 136 8.085 8.085 7.584 0.501 18340 748 1 11 . 1 1 8 8 LEU N N 137 120.600 120.600 120.620 -0.020 18340 749 1 11 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.916 0.328 18340 750 1 11 . 1 1 8 8 LEU CA C 137 55.947 55.947 57.763 -1.816 18340 751 1 11 . 1 1 8 8 LEU CB C 137 42.238 42.238 40.540 1.698 18340 752 1 11 . 1 1 8 8 LEU H H 137 8.191 8.191 7.598 0.593 18340 753 1 11 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.074 0.092 18340 754 1 11 . 1 1 9 9 ARG H H 138 8.099 8.099 7.538 0.561 18340 755 1 11 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.413 -0.210 18340 756 1 11 . 1 1 10 10 ARG H H 139 8.163 8.163 8.038 0.125 18340 757 1 11 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.552 -0.049 18340 758 1 11 . 1 1 11 11 HIS H H 140 8.447 8.447 7.639 0.808 18340 759 1 11 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.020 0.147 18340 760 1 11 . 1 1 12 12 ARG H H 141 8.320 8.320 8.625 -0.305 18340 761 1 11 . 1 1 13 13 PHE N N 142 120.300 120.300 118.923 1.377 18340 762 1 11 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.408 0.109 18340 763 1 11 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.287 -3.156 18340 764 1 11 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.088 0.262 18340 765 1 11 . 1 1 13 13 PHE H H 142 8.301 8.301 8.117 0.184 18340 766 1 11 . 1 1 14 14 LEU N N 143 122.800 122.800 121.225 1.575 18340 767 1 11 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.179 0.063 18340 768 1 11 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.880 -1.787 18340 769 1 11 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.649 -0.625 18340 770 1 11 . 1 1 14 14 LEU H H 143 8.270 8.270 7.872 0.398 18340 771 1 11 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.529 -0.090 18340 772 1 11 . 1 1 15 15 TRP H H 144 8.043 8.043 8.921 -0.878 18340 773 1 11 . 1 1 16 16 GLN N N 145 120.900 120.900 117.027 3.873 18340 774 1 11 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340 775 1 11 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.861 -1.370 18340 776 1 11 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.937 0.323 18340 777 1 11 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340 778 1 11 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340 779 1 11 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340 780 1 11 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.474 -0.394 18340 781 1 11 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340 782 1 11 . 1 1 19 19 GLN N N 148 121.600 121.600 119.072 2.528 18340 783 1 11 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.179 -0.104 18340 784 1 11 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.792 -2.831 18340 785 1 11 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.131 2.179 18340 786 1 11 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340 787 1 11 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.963 0.098 18340 788 1 11 . 1 1 20 20 ARG H H 149 8.195 8.195 8.116 0.079 18340 789 1 11 . 1 1 21 21 ALA N N 150 126.000 126.000 119.659 6.341 18340 790 1 11 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.796 0.460 18340 791 1 11 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.912 -1.602 18340 792 1 11 . 1 1 21 21 ALA H H 150 8.380 8.380 8.394 -0.014 18340 793 1 12 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.094 -0.010 18340 794 1 12 . 1 1 2 2 GLU H H 131 8.553 8.553 8.399 0.154 18340 795 1 12 . 1 1 3 3 ALA N N 132 123.300 123.300 121.385 1.915 18340 796 1 12 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.043 0.117 18340 797 1 12 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.057 -1.367 18340 798 1 12 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.397 0.103 18340 799 1 12 . 1 1 3 3 ALA H H 132 8.601 8.601 7.483 1.118 18340 800 1 12 . 1 1 4 4 LEU N N 133 120.400 120.400 119.306 1.094 18340 801 1 12 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.740 0.473 18340 802 1 12 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.801 -1.851 18340 803 1 12 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.465 1.555 18340 804 1 12 . 1 1 4 4 LEU H H 133 7.984 7.984 7.554 0.430 18340 805 1 12 . 1 1 5 5 LYS N N 134 120.700 120.700 118.944 1.756 18340 806 1 12 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.115 0.025 18340 807 1 12 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.343 -1.554 18340 808 1 12 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.356 0.334 18340 809 1 12 . 1 1 5 5 LYS H H 134 7.988 7.988 7.487 0.501 18340 810 1 12 . 1 1 6 6 LYS N N 135 120.900 120.900 122.737 -1.837 18340 811 1 12 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.963 0.159 18340 812 1 12 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.420 -2.782 18340 813 1 12 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.100 0.760 18340 814 1 12 . 1 1 6 6 LYS H H 135 8.405 8.405 7.919 0.486 18340 815 1 12 . 1 1 7 7 ALA N N 136 123.900 123.900 124.708 -0.808 18340 816 1 12 . 1 1 7 7 ALA HA H 136 4.184 4.184 4.039 0.145 18340 817 1 12 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.915 -2.705 18340 818 1 12 . 1 1 7 7 ALA CB C 136 18.770 18.770 19.016 -0.246 18340 819 1 12 . 1 1 7 7 ALA H H 136 8.085 8.085 8.120 -0.035 18340 820 1 12 . 1 1 8 8 LEU N N 137 120.600 120.600 120.780 -0.180 18340 821 1 12 . 1 1 8 8 LEU HA H 137 4.244 4.244 4.037 0.207 18340 822 1 12 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.491 -2.544 18340 823 1 12 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.246 0.992 18340 824 1 12 . 1 1 8 8 LEU H H 137 8.191 8.191 7.834 0.357 18340 825 1 12 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.976 0.190 18340 826 1 12 . 1 1 9 9 ARG H H 138 8.099 8.099 7.747 0.352 18340 827 1 12 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.375 -0.172 18340 828 1 12 . 1 1 10 10 ARG H H 139 8.163 8.163 8.518 -0.355 18340 829 1 12 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.609 -0.106 18340 830 1 12 . 1 1 11 11 HIS H H 140 8.447 8.447 7.717 0.730 18340 831 1 12 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.035 0.132 18340 832 1 12 . 1 1 12 12 ARG H H 141 8.320 8.320 7.965 0.355 18340 833 1 12 . 1 1 13 13 PHE N N 142 120.300 120.300 118.913 1.387 18340 834 1 12 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.359 0.158 18340 835 1 12 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.236 -3.105 18340 836 1 12 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.019 0.331 18340 837 1 12 . 1 1 13 13 PHE H H 142 8.301 8.301 8.082 0.219 18340 838 1 12 . 1 1 14 14 LEU N N 143 122.800 122.800 121.408 1.392 18340 839 1 12 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.236 0.006 18340 840 1 12 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.897 -1.804 18340 841 1 12 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.780 -0.756 18340 842 1 12 . 1 1 14 14 LEU H H 143 8.270 8.270 7.901 0.369 18340 843 1 12 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.530 -0.091 18340 844 1 12 . 1 1 15 15 TRP H H 144 8.043 8.043 8.943 -0.900 18340 845 1 12 . 1 1 16 16 GLN N N 145 120.900 120.900 117.022 3.878 18340 846 1 12 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.230 -0.140 18340 847 1 12 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.853 -1.363 18340 848 1 12 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.926 0.334 18340 849 1 12 . 1 1 16 16 GLN H H 145 8.037 8.037 8.401 -0.364 18340 850 1 12 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.466 -0.386 18340 851 1 12 . 1 1 17 17 ARG H H 146 8.069 8.069 7.790 0.279 18340 852 1 12 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.489 -0.409 18340 853 1 12 . 1 1 18 18 ARG H H 147 8.069 8.069 7.736 0.333 18340 854 1 12 . 1 1 19 19 GLN N N 148 121.600 121.600 119.299 2.301 18340 855 1 12 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.179 -0.104 18340 856 1 12 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.728 -2.767 18340 857 1 12 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.178 2.132 18340 858 1 12 . 1 1 19 19 GLN H H 148 8.370 8.370 8.566 -0.196 18340 859 1 12 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.962 0.099 18340 860 1 12 . 1 1 20 20 ARG H H 149 8.195 8.195 8.098 0.097 18340 861 1 12 . 1 1 21 21 ALA N N 150 126.000 126.000 119.650 6.350 18340 862 1 12 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.787 0.469 18340 863 1 12 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.908 -1.598 18340 864 1 12 . 1 1 21 21 ALA H H 150 8.380 8.380 8.385 -0.005 18340 865 1 13 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.078 0.006 18340 866 1 13 . 1 1 2 2 GLU H H 131 8.553 8.553 8.400 0.153 18340 867 1 13 . 1 1 3 3 ALA N N 132 123.300 123.300 120.451 2.849 18340 868 1 13 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.991 0.169 18340 869 1 13 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.980 -1.290 18340 870 1 13 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.555 -0.055 18340 871 1 13 . 1 1 3 3 ALA H H 132 8.601 8.601 7.451 1.150 18340 872 1 13 . 1 1 4 4 LEU N N 133 120.400 120.400 118.000 2.400 18340 873 1 13 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.546 0.667 18340 874 1 13 . 1 1 4 4 LEU CA C 133 55.950 55.950 58.661 -2.711 18340 875 1 13 . 1 1 4 4 LEU CB C 133 42.020 42.020 41.418 0.602 18340 876 1 13 . 1 1 4 4 LEU H H 133 7.984 7.984 7.274 0.710 18340 877 1 13 . 1 1 5 5 LYS N N 134 120.700 120.700 120.052 0.648 18340 878 1 13 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.928 0.212 18340 879 1 13 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.364 -1.574 18340 880 1 13 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.377 0.313 18340 881 1 13 . 1 1 5 5 LYS H H 134 7.988 7.988 7.475 0.513 18340 882 1 13 . 1 1 6 6 LYS N N 135 120.900 120.900 122.225 -1.325 18340 883 1 13 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.907 0.215 18340 884 1 13 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.245 -2.607 18340 885 1 13 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.920 0.940 18340 886 1 13 . 1 1 6 6 LYS H H 135 8.405 8.405 7.715 0.690 18340 887 1 13 . 1 1 7 7 ALA N N 136 123.900 123.900 124.224 -0.324 18340 888 1 13 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.122 2.062 18340 889 1 13 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.959 -1.749 18340 890 1 13 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.453 0.317 18340 891 1 13 . 1 1 7 7 ALA H H 136 8.085 8.085 7.659 0.426 18340 892 1 13 . 1 1 8 8 LEU N N 137 120.600 120.600 119.288 1.312 18340 893 1 13 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.812 0.432 18340 894 1 13 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.715 -2.768 18340 895 1 13 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.270 0.967 18340 896 1 13 . 1 1 8 8 LEU H H 137 8.191 8.191 7.578 0.613 18340 897 1 13 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.099 0.067 18340 898 1 13 . 1 1 9 9 ARG H H 138 8.099 8.099 7.525 0.574 18340 899 1 13 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.389 -0.186 18340 900 1 13 . 1 1 10 10 ARG H H 139 8.163 8.163 8.015 0.148 18340 901 1 13 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.553 -0.050 18340 902 1 13 . 1 1 11 11 HIS H H 140 8.447 8.447 7.640 0.807 18340 903 1 13 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340 904 1 13 . 1 1 12 12 ARG H H 141 8.320 8.320 7.918 0.402 18340 905 1 13 . 1 1 13 13 PHE N N 142 120.300 120.300 118.794 1.506 18340 906 1 13 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.387 0.130 18340 907 1 13 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.626 -3.495 18340 908 1 13 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.237 0.113 18340 909 1 13 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340 910 1 13 . 1 1 14 14 LEU N N 143 122.800 122.800 120.949 1.851 18340 911 1 13 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.185 0.057 18340 912 1 13 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.919 -1.826 18340 913 1 13 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.669 -0.645 18340 914 1 13 . 1 1 14 14 LEU H H 143 8.270 8.270 7.892 0.378 18340 915 1 13 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.526 -0.087 18340 916 1 13 . 1 1 15 15 TRP H H 144 8.043 8.043 8.921 -0.878 18340 917 1 13 . 1 1 16 16 GLN N N 145 120.900 120.900 117.023 3.877 18340 918 1 13 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340 919 1 13 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.863 -1.372 18340 920 1 13 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.938 0.322 18340 921 1 13 . 1 1 16 16 GLN H H 145 8.037 8.037 8.403 -0.366 18340 922 1 13 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.482 -0.402 18340 923 1 13 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340 924 1 13 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.477 -0.397 18340 925 1 13 . 1 1 18 18 ARG H H 147 8.069 8.069 7.746 0.323 18340 926 1 13 . 1 1 19 19 GLN N N 148 121.600 121.600 119.081 2.519 18340 927 1 13 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.172 -0.097 18340 928 1 13 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.786 -2.825 18340 929 1 13 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.125 2.185 18340 930 1 13 . 1 1 19 19 GLN H H 148 8.370 8.370 8.565 -0.195 18340 931 1 13 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.955 0.106 18340 932 1 13 . 1 1 20 20 ARG H H 149 8.195 8.195 8.027 0.168 18340 933 1 13 . 1 1 21 21 ALA N N 150 126.000 126.000 119.610 6.390 18340 934 1 13 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.800 0.456 18340 935 1 13 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.928 -1.618 18340 936 1 13 . 1 1 21 21 ALA H H 150 8.380 8.380 8.396 -0.016 18340 937 1 14 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.094 -0.010 18340 938 1 14 . 1 1 2 2 GLU H H 131 8.553 8.553 8.325 0.228 18340 939 1 14 . 1 1 3 3 ALA N N 132 123.300 123.300 121.842 1.458 18340 940 1 14 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.060 0.100 18340 941 1 14 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.919 -1.229 18340 942 1 14 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.925 -0.425 18340 943 1 14 . 1 1 3 3 ALA H H 132 8.601 8.601 7.431 1.170 18340 944 1 14 . 1 1 4 4 LEU N N 133 120.400 120.400 119.100 1.300 18340 945 1 14 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.768 0.445 18340 946 1 14 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.742 -1.792 18340 947 1 14 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.419 1.601 18340 948 1 14 . 1 1 4 4 LEU H H 133 7.984 7.984 7.521 0.463 18340 949 1 14 . 1 1 5 5 LYS N N 134 120.700 120.700 119.463 1.237 18340 950 1 14 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.925 0.215 18340 951 1 14 . 1 1 5 5 LYS CA C 134 57.790 57.790 60.059 -2.269 18340 952 1 14 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.404 0.286 18340 953 1 14 . 1 1 5 5 LYS H H 134 7.988 7.988 7.501 0.487 18340 954 1 14 . 1 1 6 6 LYS N N 135 120.900 120.900 122.399 -1.499 18340 955 1 14 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.962 0.160 18340 956 1 14 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.726 -3.088 18340 957 1 14 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.146 0.714 18340 958 1 14 . 1 1 6 6 LYS H H 135 8.405 8.405 7.881 0.524 18340 959 1 14 . 1 1 7 7 ALA N N 136 123.900 123.900 125.017 -1.117 18340 960 1 14 . 1 1 7 7 ALA HA H 136 4.184 4.184 4.034 0.150 18340 961 1 14 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.942 -2.732 18340 962 1 14 . 1 1 7 7 ALA CB C 136 18.770 18.770 19.001 -0.231 18340 963 1 14 . 1 1 7 7 ALA H H 136 8.085 8.085 8.162 -0.077 18340 964 1 14 . 1 1 8 8 LEU N N 137 120.600 120.600 119.105 1.495 18340 965 1 14 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.972 0.272 18340 966 1 14 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.806 -2.859 18340 967 1 14 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.051 1.187 18340 968 1 14 . 1 1 8 8 LEU H H 137 8.191 8.191 7.834 0.357 18340 969 1 14 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.988 0.178 18340 970 1 14 . 1 1 9 9 ARG H H 138 8.099 8.099 7.767 0.332 18340 971 1 14 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.341 -0.138 18340 972 1 14 . 1 1 10 10 ARG H H 139 8.163 8.163 8.499 -0.336 18340 973 1 14 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.604 -0.101 18340 974 1 14 . 1 1 11 11 HIS H H 140 8.447 8.447 7.712 0.735 18340 975 1 14 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.037 0.130 18340 976 1 14 . 1 1 12 12 ARG H H 141 8.320 8.320 7.946 0.374 18340 977 1 14 . 1 1 13 13 PHE N N 142 120.300 120.300 118.775 1.525 18340 978 1 14 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.350 0.167 18340 979 1 14 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.591 -3.460 18340 980 1 14 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.151 0.199 18340 981 1 14 . 1 1 13 13 PHE H H 142 8.301 8.301 8.094 0.207 18340 982 1 14 . 1 1 14 14 LEU N N 143 122.800 122.800 120.993 1.807 18340 983 1 14 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.249 -0.007 18340 984 1 14 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.986 -1.893 18340 985 1 14 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.793 -0.769 18340 986 1 14 . 1 1 14 14 LEU H H 143 8.270 8.270 7.936 0.334 18340 987 1 14 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.544 -0.105 18340 988 1 14 . 1 1 15 15 TRP H H 144 8.043 8.043 8.956 -0.913 18340 989 1 14 . 1 1 16 16 GLN N N 145 120.900 120.900 117.031 3.869 18340 990 1 14 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.235 -0.145 18340 991 1 14 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.859 -1.368 18340 992 1 14 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.943 0.317 18340 993 1 14 . 1 1 16 16 GLN H H 145 8.037 8.037 8.414 -0.377 18340 994 1 14 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.500 -0.420 18340 995 1 14 . 1 1 17 17 ARG H H 146 8.069 8.069 7.788 0.281 18340 996 1 14 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.558 -0.478 18340 997 1 14 . 1 1 18 18 ARG H H 147 8.069 8.069 7.758 0.311 18340 998 1 14 . 1 1 19 19 GLN N N 148 121.600 121.600 119.118 2.482 18340 999 1 14 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.233 -0.158 18340 1000 1 14 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.833 -2.872 18340 1001 1 14 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.122 2.188 18340 1002 1 14 . 1 1 19 19 GLN H H 148 8.370 8.370 8.606 -0.236 18340 1003 1 14 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.903 0.158 18340 1004 1 14 . 1 1 20 20 ARG H H 149 8.195 8.195 8.109 0.086 18340 1005 1 14 . 1 1 21 21 ALA N N 150 126.000 126.000 119.517 6.483 18340 1006 1 14 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.693 0.563 18340 1007 1 14 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.897 -1.587 18340 1008 1 14 . 1 1 21 21 ALA H H 150 8.380 8.380 8.374 0.006 18340 1009 1 15 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.077 0.007 18340 1010 1 15 . 1 1 2 2 GLU H H 131 8.553 8.553 8.327 0.226 18340 1011 1 15 . 1 1 3 3 ALA N N 132 123.300 123.300 121.689 1.611 18340 1012 1 15 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.053 0.107 18340 1013 1 15 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.617 -0.927 18340 1014 1 15 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.972 -0.472 18340 1015 1 15 . 1 1 3 3 ALA H H 132 8.601 8.601 7.368 1.233 18340 1016 1 15 . 1 1 4 4 LEU N N 133 120.400 120.400 119.036 1.364 18340 1017 1 15 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.599 0.614 18340 1018 1 15 . 1 1 4 4 LEU CA C 133 55.950 55.950 58.032 -2.082 18340 1019 1 15 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.523 1.497 18340 1020 1 15 . 1 1 4 4 LEU H H 133 7.984 7.984 7.521 0.463 18340 1021 1 15 . 1 1 5 5 LYS N N 134 120.700 120.700 118.251 2.449 18340 1022 1 15 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.006 0.134 18340 1023 1 15 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.433 -1.643 18340 1024 1 15 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.423 0.266 18340 1025 1 15 . 1 1 5 5 LYS H H 134 7.988 7.988 7.477 0.511 18340 1026 1 15 . 1 1 6 6 LYS N N 135 120.900 120.900 119.755 1.145 18340 1027 1 15 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.938 0.184 18340 1028 1 15 . 1 1 6 6 LYS CA C 135 57.638 57.638 59.362 -1.724 18340 1029 1 15 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.834 1.026 18340 1030 1 15 . 1 1 6 6 LYS H H 135 8.405 8.405 7.757 0.648 18340 1031 1 15 . 1 1 7 7 ALA N N 136 123.900 123.900 124.308 -0.408 18340 1032 1 15 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.826 2.358 18340 1033 1 15 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.729 -1.519 18340 1034 1 15 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.367 0.403 18340 1035 1 15 . 1 1 7 7 ALA H H 136 8.085 8.085 7.485 0.600 18340 1036 1 15 . 1 1 8 8 LEU N N 137 120.600 120.600 119.198 1.402 18340 1037 1 15 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.799 0.445 18340 1038 1 15 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.714 -2.767 18340 1039 1 15 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.231 1.007 18340 1040 1 15 . 1 1 8 8 LEU H H 137 8.191 8.191 7.542 0.649 18340 1041 1 15 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.092 0.074 18340 1042 1 15 . 1 1 9 9 ARG H H 138 8.099 8.099 7.496 0.603 18340 1043 1 15 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.387 -0.184 18340 1044 1 15 . 1 1 10 10 ARG H H 139 8.163 8.163 7.949 0.214 18340 1045 1 15 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.551 -0.048 18340 1046 1 15 . 1 1 11 11 HIS H H 140 8.447 8.447 7.624 0.823 18340 1047 1 15 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.014 0.153 18340 1048 1 15 . 1 1 12 12 ARG H H 141 8.320 8.320 7.914 0.406 18340 1049 1 15 . 1 1 13 13 PHE N N 142 120.300 120.300 118.804 1.496 18340 1050 1 15 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340 1051 1 15 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.624 -3.493 18340 1052 1 15 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.236 0.114 18340 1053 1 15 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340 1054 1 15 . 1 1 14 14 LEU N N 143 122.800 122.800 120.957 1.843 18340 1055 1 15 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.186 0.056 18340 1056 1 15 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.913 -1.820 18340 1057 1 15 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.672 -0.648 18340 1058 1 15 . 1 1 14 14 LEU H H 143 8.270 8.270 7.888 0.382 18340 1059 1 15 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.525 -0.086 18340 1060 1 15 . 1 1 15 15 TRP H H 144 8.043 8.043 8.919 -0.876 18340 1061 1 15 . 1 1 16 16 GLN N N 145 120.900 120.900 117.030 3.870 18340 1062 1 15 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.236 -0.146 18340 1063 1 15 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.864 -1.373 18340 1064 1 15 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.935 0.325 18340 1065 1 15 . 1 1 16 16 GLN H H 145 8.037 8.037 8.404 -0.367 18340 1066 1 15 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.481 -0.401 18340 1067 1 15 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340 1068 1 15 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.474 -0.394 18340 1069 1 15 . 1 1 18 18 ARG H H 147 8.069 8.069 7.743 0.326 18340 1070 1 15 . 1 1 19 19 GLN N N 148 121.600 121.600 119.073 2.527 18340 1071 1 15 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.170 -0.095 18340 1072 1 15 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.791 -2.830 18340 1073 1 15 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.129 2.181 18340 1074 1 15 . 1 1 19 19 GLN H H 148 8.370 8.370 8.562 -0.192 18340 1075 1 15 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.951 0.110 18340 1076 1 15 . 1 1 20 20 ARG H H 149 8.195 8.195 8.118 0.077 18340 1077 1 15 . 1 1 21 21 ALA N N 150 126.000 126.000 119.584 6.416 18340 1078 1 15 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.797 0.459 18340 1079 1 15 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.925 -1.615 18340 1080 1 15 . 1 1 21 21 ALA H H 150 8.380 8.380 8.391 -0.011 18340 1081 1 16 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.076 0.008 18340 1082 1 16 . 1 1 2 2 GLU H H 131 8.553 8.553 8.451 0.102 18340 1083 1 16 . 1 1 3 3 ALA N N 132 123.300 123.300 121.483 1.817 18340 1084 1 16 . 1 1 3 3 ALA HA H 132 4.160 4.160 4.039 0.121 18340 1085 1 16 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.100 -1.410 18340 1086 1 16 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.244 0.257 18340 1087 1 16 . 1 1 3 3 ALA H H 132 8.601 8.601 7.429 1.172 18340 1088 1 16 . 1 1 4 4 LEU N N 133 120.400 120.400 119.355 1.045 18340 1089 1 16 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.709 0.504 18340 1090 1 16 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.822 -1.872 18340 1091 1 16 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.439 1.581 18340 1092 1 16 . 1 1 4 4 LEU H H 133 7.984 7.984 7.525 0.459 18340 1093 1 16 . 1 1 5 5 LYS N N 134 120.700 120.700 118.936 1.764 18340 1094 1 16 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.059 0.081 18340 1095 1 16 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.540 -1.750 18340 1096 1 16 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.343 0.347 18340 1097 1 16 . 1 1 5 5 LYS H H 134 7.988 7.988 7.491 0.497 18340 1098 1 16 . 1 1 6 6 LYS N N 135 120.900 120.900 122.739 -1.839 18340 1099 1 16 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.953 0.169 18340 1100 1 16 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.501 -2.863 18340 1101 1 16 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.142 0.718 18340 1102 1 16 . 1 1 6 6 LYS H H 135 8.405 8.405 7.870 0.535 18340 1103 1 16 . 1 1 7 7 ALA N N 136 123.900 123.900 124.985 -1.085 18340 1104 1 16 . 1 1 7 7 ALA HA H 136 4.184 4.184 3.974 0.210 18340 1105 1 16 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.896 -2.686 18340 1106 1 16 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.953 -0.183 18340 1107 1 16 . 1 1 7 7 ALA H H 136 8.085 8.085 8.159 -0.074 18340 1108 1 16 . 1 1 8 8 LEU N N 137 120.600 120.600 119.316 1.284 18340 1109 1 16 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.870 0.374 18340 1110 1 16 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.780 -2.833 18340 1111 1 16 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.204 1.034 18340 1112 1 16 . 1 1 8 8 LEU H H 137 8.191 8.191 7.809 0.382 18340 1113 1 16 . 1 1 9 9 ARG HA H 138 4.166 4.166 3.971 0.195 18340 1114 1 16 . 1 1 9 9 ARG H H 138 8.099 8.099 7.708 0.391 18340 1115 1 16 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.322 -0.119 18340 1116 1 16 . 1 1 10 10 ARG H H 139 8.163 8.163 8.478 -0.315 18340 1117 1 16 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.542 -0.039 18340 1118 1 16 . 1 1 11 11 HIS H H 140 8.447 8.447 7.651 0.796 18340 1119 1 16 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.032 0.135 18340 1120 1 16 . 1 1 12 12 ARG H H 141 8.320 8.320 7.904 0.416 18340 1121 1 16 . 1 1 13 13 PHE N N 142 120.300 120.300 118.759 1.541 18340 1122 1 16 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.343 0.174 18340 1123 1 16 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.584 -3.453 18340 1124 1 16 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.138 0.212 18340 1125 1 16 . 1 1 13 13 PHE H H 142 8.301 8.301 8.072 0.229 18340 1126 1 16 . 1 1 14 14 LEU N N 143 122.800 122.800 120.961 1.839 18340 1127 1 16 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.257 -0.015 18340 1128 1 16 . 1 1 14 14 LEU CA C 143 56.093 56.093 58.004 -1.911 18340 1129 1 16 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.802 -0.778 18340 1130 1 16 . 1 1 14 14 LEU H H 143 8.270 8.270 7.931 0.339 18340 1131 1 16 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.563 -0.124 18340 1132 1 16 . 1 1 15 15 TRP H H 144 8.043 8.043 8.957 -0.914 18340 1133 1 16 . 1 1 16 16 GLN N N 145 120.900 120.900 117.041 3.859 18340 1134 1 16 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.239 -0.149 18340 1135 1 16 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.868 -1.377 18340 1136 1 16 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340 1137 1 16 . 1 1 16 16 GLN H H 145 8.037 8.037 8.415 -0.378 18340 1138 1 16 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340 1139 1 16 . 1 1 17 17 ARG H H 146 8.069 8.069 7.806 0.263 18340 1140 1 16 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.488 -0.408 18340 1141 1 16 . 1 1 18 18 ARG H H 147 8.069 8.069 7.766 0.303 18340 1142 1 16 . 1 1 19 19 GLN N N 148 121.600 121.600 119.098 2.502 18340 1143 1 16 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.170 -0.095 18340 1144 1 16 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.793 -2.832 18340 1145 1 16 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.127 2.183 18340 1146 1 16 . 1 1 19 19 GLN H H 148 8.370 8.370 8.603 -0.233 18340 1147 1 16 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.943 0.118 18340 1148 1 16 . 1 1 20 20 ARG H H 149 8.195 8.195 8.109 0.086 18340 1149 1 16 . 1 1 21 21 ALA N N 150 126.000 126.000 119.631 6.369 18340 1150 1 16 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.777 0.479 18340 1151 1 16 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.898 -1.588 18340 1152 1 16 . 1 1 21 21 ALA H H 150 8.380 8.380 8.380 0.000 18340 1153 1 17 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.079 0.005 18340 1154 1 17 . 1 1 2 2 GLU H H 131 8.553 8.553 8.410 0.143 18340 1155 1 17 . 1 1 3 3 ALA N N 132 123.300 123.300 121.668 1.632 18340 1156 1 17 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.971 0.189 18340 1157 1 17 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.129 -1.439 18340 1158 1 17 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.521 -0.021 18340 1159 1 17 . 1 1 3 3 ALA H H 132 8.601 8.601 7.455 1.146 18340 1160 1 17 . 1 1 4 4 LEU N N 133 120.400 120.400 119.238 1.162 18340 1161 1 17 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.575 0.638 18340 1162 1 17 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.651 -1.701 18340 1163 1 17 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.371 1.649 18340 1164 1 17 . 1 1 4 4 LEU H H 133 7.984 7.984 7.460 0.524 18340 1165 1 17 . 1 1 5 5 LYS N N 134 120.700 120.700 118.914 1.786 18340 1166 1 17 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.032 0.108 18340 1167 1 17 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.371 -1.581 18340 1168 1 17 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.344 0.346 18340 1169 1 17 . 1 1 5 5 LYS H H 134 7.988 7.988 7.393 0.595 18340 1170 1 17 . 1 1 6 6 LYS N N 135 120.900 120.900 122.662 -1.762 18340 1171 1 17 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.875 0.247 18340 1172 1 17 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.772 -3.134 18340 1173 1 17 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.995 0.865 18340 1174 1 17 . 1 1 6 6 LYS H H 135 8.405 8.405 7.757 0.648 18340 1175 1 17 . 1 1 7 7 ALA N N 136 123.900 123.900 123.810 0.090 18340 1176 1 17 . 1 1 7 7 ALA HA H 136 4.184 4.184 1.978 2.206 18340 1177 1 17 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.965 -1.754 18340 1178 1 17 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.430 0.340 18340 1179 1 17 . 1 1 7 7 ALA H H 136 8.085 8.085 7.574 0.510 18340 1180 1 17 . 1 1 8 8 LEU N N 137 120.600 120.600 119.062 1.538 18340 1181 1 17 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.719 0.525 18340 1182 1 17 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.763 -2.816 18340 1183 1 17 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.054 1.184 18340 1184 1 17 . 1 1 8 8 LEU H H 137 8.191 8.191 7.542 0.649 18340 1185 1 17 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.080 0.086 18340 1186 1 17 . 1 1 9 9 ARG H H 138 8.099 8.099 7.477 0.622 18340 1187 1 17 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.360 -0.157 18340 1188 1 17 . 1 1 10 10 ARG H H 139 8.163 8.163 7.978 0.185 18340 1189 1 17 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.445 0.058 18340 1190 1 17 . 1 1 11 11 HIS H H 140 8.447 8.447 7.557 0.890 18340 1191 1 17 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.002 0.165 18340 1192 1 17 . 1 1 12 12 ARG H H 141 8.320 8.320 7.857 0.463 18340 1193 1 17 . 1 1 13 13 PHE N N 142 120.300 120.300 118.775 1.525 18340 1194 1 17 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.364 0.153 18340 1195 1 17 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.614 -3.483 18340 1196 1 17 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.237 0.113 18340 1197 1 17 . 1 1 13 13 PHE H H 142 8.301 8.301 8.093 0.208 18340 1198 1 17 . 1 1 14 14 LEU N N 143 122.800 122.800 121.088 1.712 18340 1199 1 17 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.177 0.065 18340 1200 1 17 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.800 -1.707 18340 1201 1 17 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340 1202 1 17 . 1 1 14 14 LEU H H 143 8.270 8.270 7.854 0.416 18340 1203 1 17 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.488 -0.049 18340 1204 1 17 . 1 1 15 15 TRP H H 144 8.043 8.043 8.890 -0.847 18340 1205 1 17 . 1 1 16 16 GLN N N 145 120.900 120.900 117.009 3.891 18340 1206 1 17 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.221 -0.131 18340 1207 1 17 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.845 -1.354 18340 1208 1 17 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.929 0.331 18340 1209 1 17 . 1 1 16 16 GLN H H 145 8.037 8.037 8.384 -0.347 18340 1210 1 17 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.465 -0.385 18340 1211 1 17 . 1 1 17 17 ARG H H 146 8.069 8.069 7.769 0.300 18340 1212 1 17 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.448 -0.368 18340 1213 1 17 . 1 1 18 18 ARG H H 147 8.069 8.069 7.706 0.363 18340 1214 1 17 . 1 1 19 19 GLN N N 148 121.600 121.600 119.158 2.442 18340 1215 1 17 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.150 -0.075 18340 1216 1 17 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.721 -2.760 18340 1217 1 17 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.131 2.179 18340 1218 1 17 . 1 1 19 19 GLN H H 148 8.370 8.370 8.515 -0.145 18340 1219 1 17 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.908 0.153 18340 1220 1 17 . 1 1 20 20 ARG H H 149 8.195 8.195 8.036 0.159 18340 1221 1 17 . 1 1 21 21 ALA N N 150 126.000 126.000 119.633 6.367 18340 1222 1 17 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.762 0.494 18340 1223 1 17 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.866 -1.556 18340 1224 1 17 . 1 1 21 21 ALA H H 150 8.380 8.380 8.348 0.032 18340 1225 1 18 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.065 0.019 18340 1226 1 18 . 1 1 2 2 GLU H H 131 8.553 8.553 8.374 0.179 18340 1227 1 18 . 1 1 3 3 ALA N N 132 123.300 123.300 121.162 2.138 18340 1228 1 18 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.968 0.192 18340 1229 1 18 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.097 -1.407 18340 1230 1 18 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.457 0.043 18340 1231 1 18 . 1 1 3 3 ALA H H 132 8.601 8.601 7.421 1.180 18340 1232 1 18 . 1 1 4 4 LEU N N 133 120.400 120.400 119.042 1.358 18340 1233 1 18 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.578 0.635 18340 1234 1 18 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.698 -1.748 18340 1235 1 18 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.264 1.756 18340 1236 1 18 . 1 1 4 4 LEU H H 133 7.984 7.984 7.413 0.571 18340 1237 1 18 . 1 1 5 5 LYS N N 134 120.700 120.700 118.607 2.093 18340 1238 1 18 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.025 0.115 18340 1239 1 18 . 1 1 5 5 LYS CA C 134 57.790 57.790 58.688 -0.898 18340 1240 1 18 . 1 1 5 5 LYS CB C 134 32.690 32.690 31.942 0.748 18340 1241 1 18 . 1 1 5 5 LYS H H 134 7.988 7.988 7.425 0.563 18340 1242 1 18 . 1 1 6 6 LYS N N 135 120.900 120.900 122.572 -1.672 18340 1243 1 18 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.920 0.202 18340 1244 1 18 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.102 -2.465 18340 1245 1 18 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.932 0.928 18340 1246 1 18 . 1 1 6 6 LYS H H 135 8.405 8.405 7.741 0.664 18340 1247 1 18 . 1 1 7 7 ALA N N 136 123.900 123.900 124.151 -0.251 18340 1248 1 18 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.039 2.145 18340 1249 1 18 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.906 -1.696 18340 1250 1 18 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.402 0.368 18340 1251 1 18 . 1 1 7 7 ALA H H 136 8.085 8.085 7.617 0.468 18340 1252 1 18 . 1 1 8 8 LEU N N 137 120.600 120.600 119.123 1.477 18340 1253 1 18 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.702 0.542 18340 1254 1 18 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.656 -2.709 18340 1255 1 18 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.069 1.169 18340 1256 1 18 . 1 1 8 8 LEU H H 137 8.191 8.191 7.536 0.655 18340 1257 1 18 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.078 0.088 18340 1258 1 18 . 1 1 9 9 ARG H H 138 8.099 8.099 7.526 0.573 18340 1259 1 18 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340 1260 1 18 . 1 1 10 10 ARG H H 139 8.163 8.163 7.982 0.181 18340 1261 1 18 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.494 0.009 18340 1262 1 18 . 1 1 11 11 HIS H H 140 8.447 8.447 7.579 0.868 18340 1263 1 18 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.012 0.155 18340 1264 1 18 . 1 1 12 12 ARG H H 141 8.320 8.320 8.541 -0.221 18340 1265 1 18 . 1 1 13 13 PHE N N 142 120.300 120.300 118.783 1.517 18340 1266 1 18 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.371 0.146 18340 1267 1 18 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.612 -3.481 18340 1268 1 18 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.232 0.118 18340 1269 1 18 . 1 1 13 13 PHE H H 142 8.301 8.301 8.103 0.198 18340 1270 1 18 . 1 1 14 14 LEU N N 143 122.800 122.800 121.101 1.699 18340 1271 1 18 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.182 0.060 18340 1272 1 18 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.830 -1.737 18340 1273 1 18 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.684 -0.660 18340 1274 1 18 . 1 1 14 14 LEU H H 143 8.270 8.270 7.868 0.402 18340 1275 1 18 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.492 -0.053 18340 1276 1 18 . 1 1 15 15 TRP H H 144 8.043 8.043 8.911 -0.868 18340 1277 1 18 . 1 1 16 16 GLN N N 145 120.900 120.900 117.007 3.893 18340 1278 1 18 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.225 -0.135 18340 1279 1 18 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.850 -1.359 18340 1280 1 18 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.932 0.328 18340 1281 1 18 . 1 1 16 16 GLN H H 145 8.037 8.037 8.391 -0.354 18340 1282 1 18 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.469 -0.389 18340 1283 1 18 . 1 1 17 17 ARG H H 146 8.069 8.069 7.774 0.295 18340 1284 1 18 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.460 -0.380 18340 1285 1 18 . 1 1 18 18 ARG H H 147 8.069 8.069 7.713 0.356 18340 1286 1 18 . 1 1 19 19 GLN N N 148 121.600 121.600 119.168 2.432 18340 1287 1 18 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.146 -0.071 18340 1288 1 18 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.718 -2.757 18340 1289 1 18 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.126 2.184 18340 1290 1 18 . 1 1 19 19 GLN H H 148 8.370 8.370 8.520 -0.150 18340 1291 1 18 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.925 0.136 18340 1292 1 18 . 1 1 20 20 ARG H H 149 8.195 8.195 8.081 0.114 18340 1293 1 18 . 1 1 21 21 ALA N N 150 126.000 126.000 119.583 6.417 18340 1294 1 18 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.770 0.486 18340 1295 1 18 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.891 -1.581 18340 1296 1 18 . 1 1 21 21 ALA H H 150 8.380 8.380 8.362 0.018 18340 1297 1 19 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.090 -0.006 18340 1298 1 19 . 1 1 2 2 GLU H H 131 8.553 8.553 8.431 0.122 18340 1299 1 19 . 1 1 3 3 ALA N N 132 123.300 123.300 121.682 1.618 18340 1300 1 19 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.973 0.187 18340 1301 1 19 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.094 -1.404 18340 1302 1 19 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.536 -0.036 18340 1303 1 19 . 1 1 3 3 ALA H H 132 8.601 8.601 7.457 1.144 18340 1304 1 19 . 1 1 4 4 LEU N N 133 120.400 120.400 119.208 1.192 18340 1305 1 19 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.603 0.610 18340 1306 1 19 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.668 -1.718 18340 1307 1 19 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.395 1.625 18340 1308 1 19 . 1 1 4 4 LEU H H 133 7.984 7.984 7.511 0.473 18340 1309 1 19 . 1 1 5 5 LYS N N 134 120.700 120.700 118.932 1.768 18340 1310 1 19 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.981 0.159 18340 1311 1 19 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.496 -1.706 18340 1312 1 19 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.297 0.393 18340 1313 1 19 . 1 1 5 5 LYS H H 134 7.988 7.988 7.411 0.577 18340 1314 1 19 . 1 1 6 6 LYS N N 135 120.900 120.900 122.527 -1.627 18340 1315 1 19 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.912 0.210 18340 1316 1 19 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.093 -2.455 18340 1317 1 19 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.945 0.915 18340 1318 1 19 . 1 1 6 6 LYS H H 135 8.405 8.405 7.739 0.666 18340 1319 1 19 . 1 1 7 7 ALA N N 136 123.900 123.900 124.197 -0.297 18340 1320 1 19 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.096 2.088 18340 1321 1 19 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.959 -1.749 18340 1322 1 19 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.450 0.320 18340 1323 1 19 . 1 1 7 7 ALA H H 136 8.085 8.085 7.642 0.443 18340 1324 1 19 . 1 1 8 8 LEU N N 137 120.600 120.600 119.067 1.533 18340 1325 1 19 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.815 0.429 18340 1326 1 19 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.687 -2.740 18340 1327 1 19 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.152 1.086 18340 1328 1 19 . 1 1 8 8 LEU H H 137 8.191 8.191 7.571 0.620 18340 1329 1 19 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.103 0.063 18340 1330 1 19 . 1 1 9 9 ARG H H 138 8.099 8.099 7.528 0.571 18340 1331 1 19 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.391 -0.188 18340 1332 1 19 . 1 1 10 10 ARG H H 139 8.163 8.163 8.011 0.152 18340 1333 1 19 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.551 -0.048 18340 1334 1 19 . 1 1 11 11 HIS H H 140 8.447 8.447 7.636 0.811 18340 1335 1 19 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.015 0.152 18340 1336 1 19 . 1 1 12 12 ARG H H 141 8.320 8.320 7.916 0.404 18340 1337 1 19 . 1 1 13 13 PHE N N 142 120.300 120.300 118.808 1.492 18340 1338 1 19 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.388 0.129 18340 1339 1 19 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.607 -3.476 18340 1340 1 19 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.229 0.121 18340 1341 1 19 . 1 1 13 13 PHE H H 142 8.301 8.301 8.127 0.174 18340 1342 1 19 . 1 1 14 14 LEU N N 143 122.800 122.800 120.957 1.843 18340 1343 1 19 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.185 0.057 18340 1344 1 19 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.920 -1.827 18340 1345 1 19 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.671 -0.647 18340 1346 1 19 . 1 1 14 14 LEU H H 143 8.270 8.270 7.889 0.381 18340 1347 1 19 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.529 -0.090 18340 1348 1 19 . 1 1 15 15 TRP H H 144 8.043 8.043 8.920 -0.877 18340 1349 1 19 . 1 1 16 16 GLN N N 145 120.900 120.900 117.027 3.873 18340 1350 1 19 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340 1351 1 19 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.860 -1.369 18340 1352 1 19 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.936 0.324 18340 1353 1 19 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340 1354 1 19 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340 1355 1 19 . 1 1 17 17 ARG H H 146 8.069 8.069 7.791 0.278 18340 1356 1 19 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.472 -0.392 18340 1357 1 19 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340 1358 1 19 . 1 1 19 19 GLN N N 148 121.600 121.600 119.070 2.530 18340 1359 1 19 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.175 -0.100 18340 1360 1 19 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.788 -2.827 18340 1361 1 19 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.127 2.183 18340 1362 1 19 . 1 1 19 19 GLN H H 148 8.370 8.370 8.568 -0.198 18340 1363 1 19 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.959 0.102 18340 1364 1 19 . 1 1 20 20 ARG H H 149 8.195 8.195 8.099 0.096 18340 1365 1 19 . 1 1 21 21 ALA N N 150 126.000 126.000 119.664 6.336 18340 1366 1 19 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.799 0.457 18340 1367 1 19 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.910 -1.600 18340 1368 1 19 . 1 1 21 21 ALA H H 150 8.380 8.380 8.393 -0.013 18340 1369 1 20 . 1 1 2 2 GLU HA H 131 4.084 4.084 4.079 0.005 18340 1370 1 20 . 1 1 2 2 GLU H H 131 8.553 8.553 8.397 0.156 18340 1371 1 20 . 1 1 3 3 ALA N N 132 123.300 123.300 121.803 1.497 18340 1372 1 20 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.921 0.239 18340 1373 1 20 . 1 1 3 3 ALA CA C 132 53.690 53.690 54.941 -1.251 18340 1374 1 20 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.406 0.094 18340 1375 1 20 . 1 1 3 3 ALA H H 132 8.601 8.601 7.436 1.165 18340 1376 1 20 . 1 1 4 4 LEU N N 133 120.400 120.400 119.341 1.059 18340 1377 1 20 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.636 0.577 18340 1378 1 20 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.589 -1.639 18340 1379 1 20 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.456 1.564 18340 1380 1 20 . 1 1 4 4 LEU H H 133 7.984 7.984 7.454 0.530 18340 1381 1 20 . 1 1 5 5 LYS N N 134 120.700 120.700 118.986 1.714 18340 1382 1 20 . 1 1 5 5 LYS HA H 134 4.140 4.140 4.103 0.037 18340 1383 1 20 . 1 1 5 5 LYS CA C 134 57.790 57.790 58.447 -0.657 18340 1384 1 20 . 1 1 5 5 LYS CB C 134 32.690 32.690 31.805 0.885 18340 1385 1 20 . 1 1 5 5 LYS H H 134 7.988 7.988 7.487 0.501 18340 1386 1 20 . 1 1 6 6 LYS N N 135 120.900 120.900 123.078 -2.178 18340 1387 1 20 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.898 0.224 18340 1388 1 20 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.066 -2.428 18340 1389 1 20 . 1 1 6 6 LYS CB C 135 32.860 32.860 31.957 0.902 18340 1390 1 20 . 1 1 6 6 LYS H H 135 8.405 8.405 7.785 0.620 18340 1391 1 20 . 1 1 7 7 ALA N N 136 123.900 123.900 123.933 -0.033 18340 1392 1 20 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.153 2.031 18340 1393 1 20 . 1 1 7 7 ALA CA C 136 53.210 53.210 54.954 -1.744 18340 1394 1 20 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.489 0.281 18340 1395 1 20 . 1 1 7 7 ALA H H 136 8.085 8.085 7.620 0.465 18340 1396 1 20 . 1 1 8 8 LEU N N 137 120.600 120.600 120.334 0.266 18340 1397 1 20 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.883 0.361 18340 1398 1 20 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.334 -2.387 18340 1399 1 20 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.077 1.161 18340 1400 1 20 . 1 1 8 8 LEU H H 137 8.191 8.191 7.545 0.646 18340 1401 1 20 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.082 0.084 18340 1402 1 20 . 1 1 9 9 ARG H H 138 8.099 8.099 7.555 0.544 18340 1403 1 20 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.391 -0.188 18340 1404 1 20 . 1 1 10 10 ARG H H 139 8.163 8.163 8.028 0.135 18340 1405 1 20 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.552 -0.049 18340 1406 1 20 . 1 1 11 11 HIS H H 140 8.447 8.447 7.636 0.811 18340 1407 1 20 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.016 0.151 18340 1408 1 20 . 1 1 12 12 ARG H H 141 8.320 8.320 7.913 0.407 18340 1409 1 20 . 1 1 13 13 PHE N N 142 120.300 120.300 118.810 1.490 18340 1410 1 20 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.386 0.131 18340 1411 1 20 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.628 -3.497 18340 1412 1 20 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.232 0.118 18340 1413 1 20 . 1 1 13 13 PHE H H 142 8.301 8.301 8.121 0.180 18340 1414 1 20 . 1 1 14 14 LEU N N 143 122.800 122.800 120.941 1.859 18340 1415 1 20 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.184 0.058 18340 1416 1 20 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.919 -1.826 18340 1417 1 20 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.668 -0.644 18340 1418 1 20 . 1 1 14 14 LEU H H 143 8.270 8.270 7.890 0.380 18340 1419 1 20 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.528 -0.089 18340 1420 1 20 . 1 1 15 15 TRP H H 144 8.043 8.043 8.917 -0.874 18340 1421 1 20 . 1 1 16 16 GLN N N 145 120.900 120.900 117.030 3.870 18340 1422 1 20 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.237 -0.147 18340 1423 1 20 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.867 -1.376 18340 1424 1 20 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.939 0.321 18340 1425 1 20 . 1 1 16 16 GLN H H 145 8.037 8.037 8.405 -0.368 18340 1426 1 20 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.481 -0.401 18340 1427 1 20 . 1 1 17 17 ARG H H 146 8.069 8.069 7.792 0.278 18340 1428 1 20 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.478 -0.398 18340 1429 1 20 . 1 1 18 18 ARG H H 147 8.069 8.069 7.745 0.324 18340 1430 1 20 . 1 1 19 19 GLN N N 148 121.600 121.600 119.073 2.527 18340 1431 1 20 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.180 -0.105 18340 1432 1 20 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.790 -2.829 18340 1433 1 20 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.133 2.178 18340 1434 1 20 . 1 1 19 19 GLN H H 148 8.370 8.370 8.569 -0.199 18340 1435 1 20 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.960 0.101 18340 1436 1 20 . 1 1 20 20 ARG H H 149 8.195 8.195 8.128 0.067 18340 1437 1 20 . 1 1 21 21 ALA N N 150 126.000 126.000 119.604 6.396 18340 1438 1 20 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.797 0.459 18340 1439 1 20 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.926 -1.616 18340 1440 1 20 . 1 1 21 21 ALA H H 150 8.380 8.380 8.396 -0.016 18340 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 11 2.687 -1.757 2.132 18340 2 1 1 "Average Difference" HA 20 0.540 -0.171 0.525 18340 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18340 4 1 1 "Average Difference" CA 11 2.199 2.086 0.729 18340 5 1 1 "Average Difference" CB 10 0.988 -0.615 0.814 18340 6 1 1 "Average Difference" HN 20 0.516 -0.284 0.442 18340 7 1 2 "Average Difference" N 11 2.718 -2.024 1.903 18340 8 1 2 "Average Difference" HA 20 0.585 -0.200 0.564 18340 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18340 10 1 2 "Average Difference" CA 11 2.218 2.072 0.831 18340 11 1 2 "Average Difference" CB 10 0.884 -0.442 0.807 18340 12 1 2 "Average Difference" HN 20 0.556 -0.332 0.457 18340 13 1 3 "Average Difference" N 11 2.617 -1.647 2.133 18340 14 1 3 "Average Difference" HA 20 0.530 -0.168 0.515 18340 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18340 16 1 3 "Average Difference" CA 11 2.149 2.043 0.697 18340 17 1 3 "Average Difference" CB 10 0.987 -0.539 0.872 18340 18 1 3 "Average Difference" HN 20 0.533 -0.303 0.449 18340 19 1 4 "Average Difference" N 11 2.680 -1.818 2.066 18340 20 1 4 "Average Difference" HA 20 0.541 -0.177 0.525 18340 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18340 22 1 4 "Average Difference" CA 11 2.258 2.146 0.739 18340 23 1 4 "Average Difference" CB 10 1.016 -0.626 0.844 18340 24 1 4 "Average Difference" HN 20 0.509 -0.292 0.427 18340 25 1 5 "Average Difference" N 11 2.766 -1.784 2.216 18340 26 1 5 "Average Difference" HA 20 0.558 -0.175 0.544 18340 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18340 28 1 5 "Average Difference" CA 11 2.260 2.153 0.723 18340 29 1 5 "Average Difference" CB 10 0.950 -0.607 0.771 18340 30 1 5 "Average Difference" HN 20 0.540 -0.281 0.473 18340 31 1 6 "Average Difference" N 11 2.927 -2.038 2.203 18340 32 1 6 "Average Difference" HA 20 0.545 -0.182 0.527 18340 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18340 34 1 6 "Average Difference" CA 11 2.220 2.109 0.725 18340 35 1 6 "Average Difference" CB 10 1.117 -0.712 0.906 18340 36 1 6 "Average Difference" HN 20 0.516 -0.290 0.437 18340 37 1 7 "Average Difference" N 11 2.796 -2.256 1.733 18340 38 1 7 "Average Difference" HA 20 0.582 -0.198 0.561 18340 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18340 40 1 7 "Average Difference" CA 11 2.096 1.996 0.670 18340 41 1 7 "Average Difference" CB 10 1.019 -0.675 0.805 18340 42 1 7 "Average Difference" HN 20 0.486 -0.270 0.415 18340 43 1 8 "Average Difference" N 11 2.785 -2.159 1.845 18340 44 1 8 "Average Difference" HA 20 0.587 -0.197 0.567 18340 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18340 46 1 8 "Average Difference" CA 11 2.080 1.965 0.717 18340 47 1 8 "Average Difference" CB 10 1.001 -0.611 0.836 18340 48 1 8 "Average Difference" HN 20 0.541 -0.317 0.450 18340 49 1 9 "Average Difference" N 11 2.864 -2.018 2.131 18340 50 1 9 "Average Difference" HA 20 0.562 -0.164 0.551 18340 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18340 52 1 9 "Average Difference" CA 11 2.130 2.030 0.675 18340 53 1 9 "Average Difference" CB 10 0.945 -0.556 0.805 18340 54 1 9 "Average Difference" HN 20 0.528 -0.298 0.448 18340 55 1 10 "Average Difference" N 11 2.701 -1.708 2.195 18340 56 1 10 "Average Difference" HA 20 0.523 -0.153 0.513 18340 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18340 58 1 10 "Average Difference" CA 11 2.240 2.138 0.701 18340 59 1 10 "Average Difference" CB 10 0.961 -0.576 0.811 18340 60 1 10 "Average Difference" HN 20 0.521 -0.272 0.456 18340 61 1 11 "Average Difference" N 11 2.681 -1.717 2.159 18340 62 1 11 "Average Difference" HA 20 0.537 -0.168 0.523 18340 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18340 64 1 11 "Average Difference" CA 11 2.300 2.187 0.748 18340 65 1 11 "Average Difference" CB 10 0.974 -0.570 0.833 18340 66 1 11 "Average Difference" HN 20 0.515 -0.253 0.461 18340 67 1 12 "Average Difference" N 11 2.638 -1.568 2.224 18340 68 1 12 "Average Difference" HA 20 0.227 -0.038 0.230 18340 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18340 70 1 12 "Average Difference" CA 11 2.220 2.131 0.652 18340 71 1 12 "Average Difference" CB 10 0.975 -0.554 0.845 18340 72 1 12 "Average Difference" HN 20 0.466 -0.196 0.434 18340 73 1 13 "Average Difference" N 11 2.793 -1.973 2.073 18340 74 1 13 "Average Difference" HA 20 0.532 -0.168 0.518 18340 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18340 76 1 13 "Average Difference" CA 11 2.277 2.167 0.734 18340 77 1 13 "Average Difference" CB 10 0.877 -0.506 0.755 18340 78 1 13 "Average Difference" HN 20 0.531 -0.303 0.448 18340 79 1 14 "Average Difference" N 11 2.694 -1.731 2.165 18340 80 1 14 "Average Difference" HA 20 0.254 -0.049 0.255 18340 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18340 82 1 14 "Average Difference" CA 11 2.398 2.286 0.758 18340 83 1 14 "Average Difference" CB 10 1.016 -0.507 0.928 18340 84 1 14 "Average Difference" HN 20 0.477 -0.198 0.445 18340 85 1 15 "Average Difference" N 11 2.731 -2.156 1.759 18340 86 1 15 "Average Difference" HA 20 0.586 -0.174 0.574 18340 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18340 88 1 15 "Average Difference" CA 11 2.107 1.981 0.753 18340 89 1 15 "Average Difference" CB 10 1.003 -0.570 0.870 18340 90 1 15 "Average Difference" HN 20 0.539 -0.308 0.453 18340 91 1 16 "Average Difference" N 11 2.717 -1.736 2.192 18340 92 1 16 "Average Difference" HA 20 0.246 -0.061 0.244 18340 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18340 94 1 16 "Average Difference" CA 11 2.336 2.234 0.714 18340 95 1 16 "Average Difference" CB 10 0.991 -0.570 0.855 18340 96 1 16 "Average Difference" HN 20 0.485 -0.203 0.452 18340 97 1 17 "Average Difference" N 11 2.690 -1.853 2.045 18340 98 1 17 "Average Difference" HA 20 0.562 -0.196 0.541 18340 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18340 100 1 17 "Average Difference" CA 11 2.240 2.117 0.769 18340 101 1 17 "Average Difference" CB 10 1.019 -0.634 0.841 18340 102 1 17 "Average Difference" HN 20 0.539 -0.326 0.441 18340 103 1 18 "Average Difference" N 11 2.751 -1.918 2.069 18340 104 1 18 "Average Difference" HA 20 0.550 -0.187 0.531 18340 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18340 106 1 18 "Average Difference" CA 11 2.115 1.985 0.765 18340 107 1 18 "Average Difference" CB 10 1.065 -0.698 0.847 18340 108 1 18 "Average Difference" HN 20 0.531 -0.285 0.461 18340 109 1 19 "Average Difference" N 11 2.687 -1.842 2.052 18340 110 1 19 "Average Difference" HA 20 0.533 -0.164 0.520 18340 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18340 112 1 19 "Average Difference" CA 11 2.180 2.079 0.687 18340 113 1 19 "Average Difference" CB 10 1.011 -0.628 0.835 18340 114 1 19 "Average Difference" HN 20 0.519 -0.289 0.442 18340 115 1 20 "Average Difference" N 11 2.681 -1.679 2.192 18340 116 1 20 "Average Difference" HA 20 0.518 -0.154 0.508 18340 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18340 118 1 20 "Average Difference" CA 11 2.076 1.932 0.796 18340 119 1 20 "Average Difference" CB 10 1.037 -0.686 0.820 18340 120 1 20 "Average Difference" HN 20 0.518 -0.288 0.442 18340 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 18340 _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 GLU HA H 131 4.084 4.084 4.072 0.012 18340 2 1 . 1 1 2 2 GLU H H 131 8.553 8.553 8.384 0.169 18340 3 1 . 1 1 3 3 ALA N N 132 123.300 123.300 121.361 1.939 18340 4 1 . 1 1 3 3 ALA HA H 132 4.160 4.160 3.995 0.165 18340 5 1 . 1 1 3 3 ALA CA C 132 53.690 53.690 55.018 -1.328 18340 6 1 . 1 1 3 3 ALA CB C 132 18.500 18.500 18.553 -0.053 18340 7 1 . 1 1 3 3 ALA H H 132 8.601 8.601 7.447 1.154 18340 8 1 . 1 1 4 4 LEU N N 133 120.400 120.400 119.200 1.200 18340 9 1 . 1 1 4 4 LEU HA H 133 4.213 4.213 3.606 0.607 18340 10 1 . 1 1 4 4 LEU CA C 133 55.950 55.950 57.888 -1.938 18340 11 1 . 1 1 4 4 LEU CB C 133 42.020 42.020 40.554 1.466 18340 12 1 . 1 1 4 4 LEU H H 133 7.984 7.984 7.471 0.513 18340 13 1 . 1 1 5 5 LYS N N 134 120.700 120.700 118.840 1.860 18340 14 1 . 1 1 5 5 LYS HA H 134 4.140 4.140 3.968 0.172 18340 15 1 . 1 1 5 5 LYS CA C 134 57.790 57.790 59.513 -1.723 18340 16 1 . 1 1 5 5 LYS CB C 134 32.690 32.690 32.304 0.386 18340 17 1 . 1 1 5 5 LYS H H 134 7.988 7.988 7.468 0.520 18340 18 1 . 1 1 6 6 LYS N N 135 120.900 120.900 121.899 -0.999 18340 19 1 . 1 1 6 6 LYS HA H 135 4.122 4.122 3.910 0.212 18340 20 1 . 1 1 6 6 LYS CA C 135 57.638 57.638 60.254 -2.616 18340 21 1 . 1 1 6 6 LYS CB C 135 32.860 32.860 32.015 0.845 18340 22 1 . 1 1 6 6 LYS H H 135 8.405 8.405 7.793 0.612 18340 23 1 . 1 1 7 7 ALA N N 136 123.900 123.900 124.270 -0.370 18340 24 1 . 1 1 7 7 ALA HA H 136 4.184 4.184 2.328 1.856 18340 25 1 . 1 1 7 7 ALA CA C 136 53.210 53.210 55.019 -1.809 18340 26 1 . 1 1 7 7 ALA CB C 136 18.770 18.770 18.520 0.250 18340 27 1 . 1 1 7 7 ALA H H 136 8.085 8.085 7.680 0.405 18340 28 1 . 1 1 8 8 LEU N N 137 120.600 120.600 119.786 0.814 18340 29 1 . 1 1 8 8 LEU HA H 137 4.244 4.244 3.818 0.426 18340 30 1 . 1 1 8 8 LEU CA C 137 55.947 55.947 58.450 -2.503 18340 31 1 . 1 1 8 8 LEU CB C 137 42.238 42.238 41.176 1.062 18340 32 1 . 1 1 8 8 LEU H H 137 8.191 8.191 7.585 0.606 18340 33 1 . 1 1 9 9 ARG HA H 138 4.166 4.166 4.067 0.099 18340 34 1 . 1 1 9 9 ARG H H 138 8.099 8.099 7.552 0.547 18340 35 1 . 1 1 10 10 ARG HA H 139 4.203 4.203 4.372 -0.169 18340 36 1 . 1 1 10 10 ARG H H 139 8.163 8.163 8.070 0.093 18340 37 1 . 1 1 11 11 HIS HA H 140 4.503 4.503 4.531 -0.028 18340 38 1 . 1 1 11 11 HIS H H 140 8.447 8.447 7.620 0.827 18340 39 1 . 1 1 12 12 ARG HA H 141 4.167 4.167 4.025 0.143 18340 40 1 . 1 1 12 12 ARG H H 141 8.320 8.320 7.998 0.322 18340 41 1 . 1 1 13 13 PHE N N 142 120.300 120.300 118.810 1.490 18340 42 1 . 1 1 13 13 PHE HA H 142 4.517 4.517 4.377 0.140 18340 43 1 . 1 1 13 13 PHE CA C 142 58.131 58.131 61.603 -3.472 18340 44 1 . 1 1 13 13 PHE CB C 142 39.350 39.350 39.204 0.146 18340 45 1 . 1 1 13 13 PHE H H 142 8.301 8.301 8.112 0.189 18340 46 1 . 1 1 14 14 LEU N N 143 122.800 122.800 120.956 1.844 18340 47 1 . 1 1 14 14 LEU HA H 143 4.242 4.242 4.191 0.051 18340 48 1 . 1 1 14 14 LEU CA C 143 56.093 56.093 57.926 -1.833 18340 49 1 . 1 1 14 14 LEU CB C 143 42.024 42.024 42.682 -0.658 18340 50 1 . 1 1 14 14 LEU H H 143 8.270 8.270 7.894 0.376 18340 51 1 . 1 1 15 15 TRP HA H 144 4.439 4.439 4.530 -0.090 18340 52 1 . 1 1 15 15 TRP H H 144 8.043 8.043 8.924 -0.881 18340 53 1 . 1 1 16 16 GLN N N 145 120.900 120.900 116.935 3.965 18340 54 1 . 1 1 16 16 GLN HA H 145 4.090 4.090 4.230 -0.140 18340 55 1 . 1 1 16 16 GLN CA C 145 56.491 56.491 57.885 -1.394 18340 56 1 . 1 1 16 16 GLN CB C 145 29.260 29.260 28.931 0.329 18340 57 1 . 1 1 16 16 GLN H H 145 8.037 8.037 8.397 -0.360 18340 58 1 . 1 1 17 17 ARG HA H 146 4.080 4.080 4.480 -0.400 18340 59 1 . 1 1 17 17 ARG H H 146 8.069 8.069 7.787 0.282 18340 60 1 . 1 1 18 18 ARG HA H 147 4.080 4.080 4.498 -0.418 18340 61 1 . 1 1 18 18 ARG H H 147 8.069 8.069 7.747 0.322 18340 62 1 . 1 1 19 19 GLN N N 148 121.600 121.600 119.189 2.411 18340 63 1 . 1 1 19 19 GLN HA H 148 4.075 4.075 4.180 -0.105 18340 64 1 . 1 1 19 19 GLN CA C 148 55.961 55.961 58.776 -2.815 18340 65 1 . 1 1 19 19 GLN CB C 148 29.310 29.310 27.141 2.169 18340 66 1 . 1 1 19 19 GLN H H 148 8.370 8.370 8.576 -0.206 18340 67 1 . 1 1 20 20 ARG HA H 149 4.061 4.061 3.933 0.128 18340 68 1 . 1 1 20 20 ARG H H 149 8.195 8.195 8.096 0.099 18340 69 1 . 1 1 21 21 ALA N N 150 126.000 126.000 119.593 6.407 18340 70 1 . 1 1 21 21 ALA HA H 150 4.256 4.256 3.772 0.484 18340 71 1 . 1 1 21 21 ALA CA C 150 52.310 52.310 53.890 -1.580 18340 72 1 . 1 1 21 21 ALA H H 150 8.380 8.380 8.382 -0.002 18340 stop_ save_