data_18822 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18822 _Entry.PDB_ID 2M0S 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 18822 _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 ILE HA H 2 3.987 3.987 4.018 -0.031 18822 2 1 1 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.899 0.671 18822 3 1 1 . 1 1 2 2 ILE H H 2 8.372 8.372 8.424 -0.052 18822 4 1 1 . 1 1 3 3 GLY N N 3 107.813 107.813 105.531 2.282 18822 5 1 1 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.940 1.880 18822 6 1 1 . 1 1 3 3 GLY H H 3 8.410 8.410 7.709 0.701 18822 7 1 1 . 1 1 4 4 MET N N 4 120.990 120.990 122.314 -1.324 18822 8 1 1 . 1 1 4 4 MET HA H 4 4.237 4.237 4.373 -0.136 18822 9 1 1 . 1 1 4 4 MET CA C 4 57.960 57.960 57.367 0.592 18822 10 1 1 . 1 1 4 4 MET H H 4 8.039 8.039 8.058 -0.019 18822 11 1 1 . 1 1 5 5 GLY N N 5 106.894 106.894 105.212 1.682 18822 12 1 1 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.097 1.593 18822 13 1 1 . 1 1 5 5 GLY H H 5 8.199 8.199 8.564 -0.365 18822 14 1 1 . 1 1 6 6 VAL N N 6 115.379 115.379 118.803 -3.424 18822 15 1 1 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.103 -0.349 18822 16 1 1 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.813 1.657 18822 17 1 1 . 1 1 6 6 VAL H H 6 8.268 8.268 7.347 0.921 18822 18 1 1 . 1 1 7 7 THR N N 7 115.692 115.692 116.607 -0.915 18822 19 1 1 . 1 1 7 7 THR HA H 7 3.964 3.964 4.101 -0.137 18822 20 1 1 . 1 1 7 7 THR CA C 7 68.370 68.370 65.383 2.986 18822 21 1 1 . 1 1 7 7 THR H H 7 7.706 7.706 7.730 -0.024 18822 22 1 1 . 1 1 8 8 TYR N N 8 120.854 120.854 120.954 -0.100 18822 23 1 1 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.300 -0.091 18822 24 1 1 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.785 0.884 18822 25 1 1 . 1 1 8 8 TYR H H 8 8.100 8.100 7.851 0.249 18822 26 1 1 . 1 1 9 9 LEU N N 9 117.686 117.686 115.684 2.002 18822 27 1 1 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.401 -0.436 18822 28 1 1 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.775 3.315 18822 29 1 1 . 1 1 9 9 LEU H H 9 8.006 8.006 7.535 0.471 18822 30 1 1 . 1 1 10 10 ALA N N 10 121.286 121.286 123.121 -1.835 18822 31 1 1 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.365 -0.293 18822 32 1 1 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.098 0.362 18822 33 1 1 . 1 1 10 10 ALA H H 10 8.320 8.320 7.980 0.340 18822 34 1 1 . 1 1 11 11 LEU N N 11 119.311 119.311 118.940 0.371 18822 35 1 1 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.197 -0.144 18822 36 1 1 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.389 4.101 18822 37 1 1 . 1 1 11 11 LEU H H 11 8.158 8.158 7.556 0.602 18822 38 1 1 . 1 1 12 12 LEU N N 12 119.405 119.405 117.844 1.561 18822 39 1 1 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.125 -0.146 18822 40 1 1 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.275 1.815 18822 41 1 1 . 1 1 12 12 LEU H H 12 8.211 8.211 7.669 0.542 18822 42 1 1 . 1 1 13 13 ALA N N 13 120.690 120.690 119.010 1.680 18822 43 1 1 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.340 -0.344 18822 44 1 1 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.494 1.566 18822 45 1 1 . 1 1 13 13 ALA H H 13 8.353 8.353 7.646 0.707 18822 46 1 1 . 1 1 14 14 ALA N N 14 119.292 119.292 122.008 -2.716 18822 47 1 1 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.046 -0.039 18822 48 1 1 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.349 0.721 18822 49 1 1 . 1 1 14 14 ALA H H 14 8.140 8.140 7.692 0.448 18822 50 1 1 . 1 1 15 15 PHE N N 15 119.448 119.448 118.200 1.248 18822 51 1 1 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.322 0.030 18822 52 1 1 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.188 -0.118 18822 53 1 1 . 1 1 15 15 PHE H H 15 8.272 8.272 7.992 0.280 18822 54 1 1 . 1 1 16 16 LYS N N 16 116.153 116.153 120.889 -4.736 18822 55 1 1 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.219 0.043 18822 56 1 1 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.380 -1.490 18822 57 1 1 . 1 1 16 16 LYS H H 16 7.959 7.959 8.117 -0.158 18822 58 1 1 . 1 1 17 17 VAL N N 17 116.676 116.676 116.324 0.352 18822 59 1 1 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.373 -0.372 18822 60 1 1 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.012 2.528 18822 61 1 1 . 1 1 17 17 VAL H H 17 7.991 7.991 8.138 -0.147 18822 62 1 1 . 1 1 18 18 ARG N N 18 120.422 120.422 122.720 -2.298 18822 63 1 1 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.305 0.109 18822 64 1 1 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.855 -0.825 18822 65 1 1 . 1 1 18 18 ARG H H 18 8.075 8.075 8.047 0.028 18822 66 1 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.585 -0.215 18822 67 1 1 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.054 0.186 18822 68 1 1 . 1 1 20 20 THR N N 20 111.614 111.614 115.409 -3.795 18822 69 1 1 . 1 1 20 20 THR HA H 20 4.254 4.254 4.093 0.161 18822 70 1 1 . 1 1 20 20 THR CA C 20 63.960 63.960 66.424 -2.464 18822 71 1 1 . 1 1 20 20 THR H H 20 7.520 7.520 8.067 -0.547 18822 72 1 1 . 1 1 21 21 PHE N N 21 121.158 121.158 121.522 -0.364 18822 73 1 1 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.236 0.145 18822 74 1 1 . 1 1 21 21 PHE CA C 21 59.890 59.890 60.823 -0.933 18822 75 1 1 . 1 1 21 21 PHE H H 21 8.065 8.065 7.684 0.381 18822 76 1 1 . 1 1 22 22 ALA N N 22 120.586 120.586 119.340 1.246 18822 77 1 1 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.211 -0.184 18822 78 1 1 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.010 0.621 18822 79 1 1 . 1 1 22 22 ALA H H 22 8.161 8.161 8.209 -0.048 18822 80 1 1 . 1 1 23 23 ALA N N 23 118.530 118.530 121.914 -3.384 18822 81 1 1 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.213 -0.177 18822 82 1 1 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.496 0.224 18822 83 1 1 . 1 1 23 23 ALA H H 23 7.955 7.955 8.435 -0.480 18822 84 1 1 . 1 1 24 24 GLY N N 24 103.400 103.400 104.713 -1.313 18822 85 1 1 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.548 2.102 18822 86 1 1 . 1 1 24 24 GLY H H 24 7.990 7.990 7.760 0.230 18822 87 1 1 . 1 1 25 25 LEU N N 25 118.196 118.196 120.300 -2.104 18822 88 1 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.294 -0.140 18822 89 1 1 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.563 -0.013 18822 90 1 1 . 1 1 25 25 LEU H H 25 7.650 7.650 7.151 0.499 18822 91 1 1 . 1 1 26 26 LEU N N 26 116.901 116.901 117.310 -0.409 18822 92 1 1 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.261 -0.005 18822 93 1 1 . 1 1 26 26 LEU CA C 26 55.730 55.730 54.994 0.736 18822 94 1 1 . 1 1 26 26 LEU H H 26 7.638 7.638 7.608 0.030 18822 95 1 1 . 1 1 27 27 LEU N N 27 117.617 117.617 120.319 -2.702 18822 96 1 1 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.296 0.042 18822 97 1 1 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.295 -0.345 18822 98 1 1 . 1 1 27 27 LEU H H 27 7.673 7.673 7.522 0.151 18822 99 1 2 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.957 0.030 18822 100 1 2 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.974 0.596 18822 101 1 2 . 1 1 2 2 ILE H H 2 8.372 8.372 8.132 0.240 18822 102 1 2 . 1 1 3 3 GLY N N 3 107.813 107.813 105.520 2.293 18822 103 1 2 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.960 1.860 18822 104 1 2 . 1 1 3 3 GLY H H 3 8.410 8.410 7.777 0.633 18822 105 1 2 . 1 1 4 4 MET N N 4 120.990 120.990 122.031 -1.041 18822 106 1 2 . 1 1 4 4 MET HA H 4 4.237 4.237 4.491 -0.254 18822 107 1 2 . 1 1 4 4 MET CA C 4 57.960 57.960 56.547 1.413 18822 108 1 2 . 1 1 4 4 MET H H 4 8.039 8.039 8.156 -0.117 18822 109 1 2 . 1 1 5 5 GLY N N 5 106.894 106.894 105.916 0.978 18822 110 1 2 . 1 1 5 5 GLY CA C 5 47.690 47.690 45.951 1.739 18822 111 1 2 . 1 1 5 5 GLY H H 5 8.199 8.199 8.372 -0.173 18822 112 1 2 . 1 1 6 6 VAL N N 6 115.379 115.379 119.808 -4.429 18822 113 1 2 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.016 -0.262 18822 114 1 2 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.042 2.428 18822 115 1 2 . 1 1 6 6 VAL H H 6 8.268 8.268 7.405 0.863 18822 116 1 2 . 1 1 7 7 THR N N 7 115.692 115.692 115.712 -0.020 18822 117 1 2 . 1 1 7 7 THR HA H 7 3.964 3.964 4.078 -0.114 18822 118 1 2 . 1 1 7 7 THR CA C 7 68.370 68.370 65.884 2.486 18822 119 1 2 . 1 1 7 7 THR H H 7 7.706 7.706 7.837 -0.131 18822 120 1 2 . 1 1 8 8 TYR N N 8 120.854 120.854 121.315 -0.461 18822 121 1 2 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.327 -0.118 18822 122 1 2 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.893 0.777 18822 123 1 2 . 1 1 8 8 TYR H H 8 8.100 8.100 7.819 0.281 18822 124 1 2 . 1 1 9 9 LEU N N 9 117.686 117.686 117.120 0.566 18822 125 1 2 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.426 -0.461 18822 126 1 2 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.195 2.895 18822 127 1 2 . 1 1 9 9 LEU H H 9 8.006 8.006 7.599 0.407 18822 128 1 2 . 1 1 10 10 ALA N N 10 121.286 121.286 123.105 -1.819 18822 129 1 2 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.360 -0.288 18822 130 1 2 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.100 0.360 18822 131 1 2 . 1 1 10 10 ALA H H 10 8.320 8.320 7.997 0.323 18822 132 1 2 . 1 1 11 11 LEU N N 11 119.311 119.311 119.089 0.222 18822 133 1 2 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.345 -0.292 18822 134 1 2 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.580 3.910 18822 135 1 2 . 1 1 11 11 LEU H H 11 8.158 8.158 7.468 0.690 18822 136 1 2 . 1 1 12 12 LEU N N 12 119.405 119.405 118.593 0.812 18822 137 1 2 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.151 -0.172 18822 138 1 2 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.089 2.002 18822 139 1 2 . 1 1 12 12 LEU H H 12 8.211 8.211 7.837 0.374 18822 140 1 2 . 1 1 13 13 ALA N N 13 120.690 120.690 121.640 -0.950 18822 141 1 2 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.359 -0.363 18822 142 1 2 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.520 1.540 18822 143 1 2 . 1 1 13 13 ALA H H 13 8.353 8.353 7.858 0.495 18822 144 1 2 . 1 1 14 14 ALA N N 14 119.292 119.292 121.996 -2.704 18822 145 1 2 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.041 -0.034 18822 146 1 2 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.341 0.729 18822 147 1 2 . 1 1 14 14 ALA H H 14 8.140 8.140 7.687 0.453 18822 148 1 2 . 1 1 15 15 PHE N N 15 119.448 119.448 118.199 1.249 18822 149 1 2 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.312 0.040 18822 150 1 2 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.147 -0.077 18822 151 1 2 . 1 1 15 15 PHE H H 15 8.272 8.272 7.977 0.295 18822 152 1 2 . 1 1 16 16 LYS N N 16 116.153 116.153 120.798 -4.645 18822 153 1 2 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.276 -0.014 18822 154 1 2 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.322 -1.432 18822 155 1 2 . 1 1 16 16 LYS H H 16 7.959 7.959 8.095 -0.136 18822 156 1 2 . 1 1 17 17 VAL N N 17 116.676 116.676 116.715 -0.039 18822 157 1 2 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.274 -0.273 18822 158 1 2 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.949 1.591 18822 159 1 2 . 1 1 17 17 VAL H H 17 7.991 7.991 8.118 -0.127 18822 160 1 2 . 1 1 18 18 ARG N N 18 120.422 120.422 123.035 -2.613 18822 161 1 2 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.842 -0.428 18822 162 1 2 . 1 1 18 18 ARG CA C 18 58.030 58.030 52.888 5.143 18822 163 1 2 . 1 1 18 18 ARG H H 18 8.075 8.075 8.062 0.013 18822 164 1 2 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.607 -0.237 18822 165 1 2 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.240 1.000 18822 166 1 2 . 1 1 20 20 THR N N 20 111.614 111.614 116.409 -4.795 18822 167 1 2 . 1 1 20 20 THR HA H 20 4.254 4.254 3.971 0.283 18822 168 1 2 . 1 1 20 20 THR CA C 20 63.960 63.960 66.692 -2.732 18822 169 1 2 . 1 1 20 20 THR H H 20 7.520 7.520 8.172 -0.652 18822 170 1 2 . 1 1 21 21 PHE N N 21 121.158 121.158 121.383 -0.225 18822 171 1 2 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.126 0.255 18822 172 1 2 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.787 -1.897 18822 173 1 2 . 1 1 21 21 PHE H H 21 8.065 8.065 7.699 0.366 18822 174 1 2 . 1 1 22 22 ALA N N 22 120.586 120.586 120.005 0.581 18822 175 1 2 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.176 -0.149 18822 176 1 2 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.264 0.366 18822 177 1 2 . 1 1 22 22 ALA H H 22 8.161 8.161 7.717 0.444 18822 178 1 2 . 1 1 23 23 ALA N N 23 118.530 118.530 122.689 -4.159 18822 179 1 2 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.170 -0.134 18822 180 1 2 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.579 0.141 18822 181 1 2 . 1 1 23 23 ALA H H 23 7.955 7.955 8.445 -0.490 18822 182 1 2 . 1 1 24 24 GLY N N 24 103.400 103.400 105.338 -1.938 18822 183 1 2 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.090 2.560 18822 184 1 2 . 1 1 24 24 GLY H H 24 7.990 7.990 7.796 0.194 18822 185 1 2 . 1 1 25 25 LEU N N 25 118.196 118.196 117.367 0.829 18822 186 1 2 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.079 0.075 18822 187 1 2 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.368 0.182 18822 188 1 2 . 1 1 25 25 LEU H H 25 7.650 7.650 7.030 0.620 18822 189 1 2 . 1 1 26 26 LEU N N 26 116.901 116.901 120.510 -3.609 18822 190 1 2 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.154 0.102 18822 191 1 2 . 1 1 26 26 LEU CA C 26 55.730 55.730 55.801 -0.071 18822 192 1 2 . 1 1 26 26 LEU H H 26 7.638 7.638 7.650 -0.012 18822 193 1 2 . 1 1 27 27 LEU N N 27 117.617 117.617 123.992 -6.375 18822 194 1 2 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.540 -0.202 18822 195 1 2 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.258 0.692 18822 196 1 2 . 1 1 27 27 LEU H H 27 7.673 7.673 8.054 -0.381 18822 197 1 3 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.979 0.008 18822 198 1 3 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.913 0.657 18822 199 1 3 . 1 1 2 2 ILE H H 2 8.372 8.372 8.375 -0.003 18822 200 1 3 . 1 1 3 3 GLY N N 3 107.813 107.813 105.037 2.776 18822 201 1 3 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.993 1.827 18822 202 1 3 . 1 1 3 3 GLY H H 3 8.410 8.410 7.689 0.721 18822 203 1 3 . 1 1 4 4 MET N N 4 120.990 120.990 121.837 -0.847 18822 204 1 3 . 1 1 4 4 MET HA H 4 4.237 4.237 4.453 -0.216 18822 205 1 3 . 1 1 4 4 MET CA C 4 57.960 57.960 56.921 1.039 18822 206 1 3 . 1 1 4 4 MET H H 4 8.039 8.039 8.148 -0.109 18822 207 1 3 . 1 1 5 5 GLY N N 5 106.894 106.894 105.871 1.023 18822 208 1 3 . 1 1 5 5 GLY CA C 5 47.690 47.690 45.955 1.735 18822 209 1 3 . 1 1 5 5 GLY H H 5 8.199 8.199 8.357 -0.158 18822 210 1 3 . 1 1 6 6 VAL N N 6 115.379 115.379 119.809 -4.430 18822 211 1 3 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.012 -0.258 18822 212 1 3 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.035 2.435 18822 213 1 3 . 1 1 6 6 VAL H H 6 8.268 8.268 7.400 0.868 18822 214 1 3 . 1 1 7 7 THR N N 7 115.692 115.692 115.716 -0.024 18822 215 1 3 . 1 1 7 7 THR HA H 7 3.964 3.964 4.046 -0.082 18822 216 1 3 . 1 1 7 7 THR CA C 7 68.370 68.370 65.871 2.499 18822 217 1 3 . 1 1 7 7 THR H H 7 7.706 7.706 7.825 -0.119 18822 218 1 3 . 1 1 8 8 TYR N N 8 120.854 120.854 121.108 -0.254 18822 219 1 3 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.276 -0.067 18822 220 1 3 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.804 0.866 18822 221 1 3 . 1 1 8 8 TYR H H 8 8.100 8.100 7.776 0.324 18822 222 1 3 . 1 1 9 9 LEU N N 9 117.686 117.686 116.015 1.671 18822 223 1 3 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.412 -0.447 18822 224 1 3 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.836 3.254 18822 225 1 3 . 1 1 9 9 LEU H H 9 8.006 8.006 7.531 0.475 18822 226 1 3 . 1 1 10 10 ALA N N 10 121.286 121.286 123.114 -1.828 18822 227 1 3 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.364 -0.292 18822 228 1 3 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.115 0.345 18822 229 1 3 . 1 1 10 10 ALA H H 10 8.320 8.320 7.978 0.342 18822 230 1 3 . 1 1 11 11 LEU N N 11 119.311 119.311 119.047 0.264 18822 231 1 3 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.133 -0.080 18822 232 1 3 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.448 4.042 18822 233 1 3 . 1 1 11 11 LEU H H 11 8.158 8.158 7.441 0.717 18822 234 1 3 . 1 1 12 12 LEU N N 12 119.405 119.405 118.271 1.134 18822 235 1 3 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.195 -0.216 18822 236 1 3 . 1 1 12 12 LEU CA C 12 58.090 58.090 55.866 2.224 18822 237 1 3 . 1 1 12 12 LEU H H 12 8.211 8.211 7.726 0.485 18822 238 1 3 . 1 1 13 13 ALA N N 13 120.690 120.690 120.447 0.243 18822 239 1 3 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.305 -0.309 18822 240 1 3 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.817 1.243 18822 241 1 3 . 1 1 13 13 ALA H H 13 8.353 8.353 7.839 0.514 18822 242 1 3 . 1 1 14 14 ALA N N 14 119.292 119.292 122.928 -3.636 18822 243 1 3 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.104 -0.097 18822 244 1 3 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.651 0.419 18822 245 1 3 . 1 1 14 14 ALA H H 14 8.140 8.140 7.708 0.432 18822 246 1 3 . 1 1 15 15 PHE N N 15 119.448 119.448 119.134 0.314 18822 247 1 3 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.237 0.115 18822 248 1 3 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.746 -0.676 18822 249 1 3 . 1 1 15 15 PHE H H 15 8.272 8.272 8.298 -0.026 18822 250 1 3 . 1 1 16 16 LYS N N 16 116.153 116.153 118.540 -2.387 18822 251 1 3 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.060 0.202 18822 252 1 3 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.834 -2.944 18822 253 1 3 . 1 1 16 16 LYS H H 16 7.959 7.959 8.339 -0.380 18822 254 1 3 . 1 1 17 17 VAL N N 17 116.676 116.676 116.615 0.061 18822 255 1 3 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.839 0.162 18822 256 1 3 . 1 1 17 17 VAL CA C 17 63.540 63.540 63.972 -0.432 18822 257 1 3 . 1 1 17 17 VAL H H 17 7.991 7.991 7.364 0.627 18822 258 1 3 . 1 1 18 18 ARG N N 18 120.422 120.422 119.782 0.640 18822 259 1 3 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.301 0.113 18822 260 1 3 . 1 1 18 18 ARG CA C 18 58.030 58.030 60.517 -2.487 18822 261 1 3 . 1 1 18 18 ARG H H 18 8.075 8.075 7.232 0.843 18822 262 1 3 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.459 -0.089 18822 263 1 3 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.013 0.227 18822 264 1 3 . 1 1 20 20 THR N N 20 111.614 111.614 116.590 -4.976 18822 265 1 3 . 1 1 20 20 THR HA H 20 4.254 4.254 3.966 0.288 18822 266 1 3 . 1 1 20 20 THR CA C 20 63.960 63.960 66.668 -2.708 18822 267 1 3 . 1 1 20 20 THR H H 20 7.520 7.520 7.655 -0.135 18822 268 1 3 . 1 1 21 21 PHE N N 21 121.158 121.158 121.391 -0.233 18822 269 1 3 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.163 0.218 18822 270 1 3 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.595 -1.705 18822 271 1 3 . 1 1 21 21 PHE H H 21 8.065 8.065 7.663 0.402 18822 272 1 3 . 1 1 22 22 ALA N N 22 120.586 120.586 119.891 0.695 18822 273 1 3 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.203 -0.176 18822 274 1 3 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.207 0.423 18822 275 1 3 . 1 1 22 22 ALA H H 22 8.161 8.161 7.646 0.515 18822 276 1 3 . 1 1 23 23 ALA N N 23 118.530 118.530 122.499 -3.969 18822 277 1 3 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.174 -0.138 18822 278 1 3 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.552 0.168 18822 279 1 3 . 1 1 23 23 ALA H H 23 7.955 7.955 8.416 -0.461 18822 280 1 3 . 1 1 24 24 GLY N N 24 103.400 103.400 104.898 -1.498 18822 281 1 3 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.404 2.246 18822 282 1 3 . 1 1 24 24 GLY H H 24 7.990 7.990 7.783 0.207 18822 283 1 3 . 1 1 25 25 LEU N N 25 118.196 118.196 119.970 -1.774 18822 284 1 3 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.219 -0.065 18822 285 1 3 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.569 -1.019 18822 286 1 3 . 1 1 25 25 LEU H H 25 7.650 7.650 7.262 0.388 18822 287 1 3 . 1 1 26 26 LEU N N 26 116.901 116.901 118.925 -2.024 18822 288 1 3 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.090 0.166 18822 289 1 3 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.006 -1.276 18822 290 1 3 . 1 1 26 26 LEU H H 26 7.638 7.638 7.517 0.121 18822 291 1 3 . 1 1 27 27 LEU N N 27 117.617 117.617 119.933 -2.316 18822 292 1 3 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.165 0.173 18822 293 1 3 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.027 -1.077 18822 294 1 3 . 1 1 27 27 LEU H H 27 7.673 7.673 8.047 -0.374 18822 295 1 4 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.025 -0.038 18822 296 1 4 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.990 0.580 18822 297 1 4 . 1 1 2 2 ILE H H 2 8.372 8.372 8.511 -0.139 18822 298 1 4 . 1 1 3 3 GLY N N 3 107.813 107.813 105.337 2.476 18822 299 1 4 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.893 1.927 18822 300 1 4 . 1 1 3 3 GLY H H 3 8.410 8.410 7.705 0.705 18822 301 1 4 . 1 1 4 4 MET N N 4 120.990 120.990 121.496 -0.506 18822 302 1 4 . 1 1 4 4 MET HA H 4 4.237 4.237 4.491 -0.254 18822 303 1 4 . 1 1 4 4 MET CA C 4 57.960 57.960 55.067 2.893 18822 304 1 4 . 1 1 4 4 MET H H 4 8.039 8.039 8.398 -0.359 18822 305 1 4 . 1 1 5 5 GLY N N 5 106.894 106.894 106.036 0.858 18822 306 1 4 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.139 1.551 18822 307 1 4 . 1 1 5 5 GLY H H 5 8.199 8.199 8.395 -0.196 18822 308 1 4 . 1 1 6 6 VAL N N 6 115.379 115.379 120.373 -4.994 18822 309 1 4 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.120 -0.366 18822 310 1 4 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.138 2.332 18822 311 1 4 . 1 1 6 6 VAL H H 6 8.268 8.268 7.347 0.921 18822 312 1 4 . 1 1 7 7 THR N N 7 115.692 115.692 116.520 -0.828 18822 313 1 4 . 1 1 7 7 THR HA H 7 3.964 3.964 4.097 -0.133 18822 314 1 4 . 1 1 7 7 THR CA C 7 68.370 68.370 66.127 2.243 18822 315 1 4 . 1 1 7 7 THR H H 7 7.706 7.706 7.770 -0.064 18822 316 1 4 . 1 1 8 8 TYR N N 8 120.854 120.854 121.857 -1.003 18822 317 1 4 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.273 -0.064 18822 318 1 4 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.884 0.786 18822 319 1 4 . 1 1 8 8 TYR H H 8 8.100 8.100 7.776 0.324 18822 320 1 4 . 1 1 9 9 LEU N N 9 117.686 117.686 115.973 1.713 18822 321 1 4 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.410 -0.445 18822 322 1 4 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.868 3.221 18822 323 1 4 . 1 1 9 9 LEU H H 9 8.006 8.006 7.541 0.465 18822 324 1 4 . 1 1 10 10 ALA N N 10 121.286 121.286 123.098 -1.812 18822 325 1 4 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.363 -0.291 18822 326 1 4 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.098 0.362 18822 327 1 4 . 1 1 10 10 ALA H H 10 8.320 8.320 7.983 0.337 18822 328 1 4 . 1 1 11 11 LEU N N 11 119.311 119.311 118.914 0.397 18822 329 1 4 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.138 -0.085 18822 330 1 4 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.349 4.141 18822 331 1 4 . 1 1 11 11 LEU H H 11 8.158 8.158 7.536 0.622 18822 332 1 4 . 1 1 12 12 LEU N N 12 119.405 119.405 118.418 0.987 18822 333 1 4 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.157 -0.178 18822 334 1 4 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.605 1.485 18822 335 1 4 . 1 1 12 12 LEU H H 12 8.211 8.211 7.680 0.531 18822 336 1 4 . 1 1 13 13 ALA N N 13 120.690 120.690 121.068 -0.378 18822 337 1 4 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.350 -0.354 18822 338 1 4 . 1 1 13 13 ALA CA C 13 55.060 55.060 54.001 1.059 18822 339 1 4 . 1 1 13 13 ALA H H 13 8.353 8.353 7.911 0.442 18822 340 1 4 . 1 1 14 14 ALA N N 14 119.292 119.292 121.997 -2.705 18822 341 1 4 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.048 -0.041 18822 342 1 4 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.360 0.710 18822 343 1 4 . 1 1 14 14 ALA H H 14 8.140 8.140 7.689 0.451 18822 344 1 4 . 1 1 15 15 PHE N N 15 119.448 119.448 118.232 1.216 18822 345 1 4 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.327 0.025 18822 346 1 4 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.089 -0.019 18822 347 1 4 . 1 1 15 15 PHE H H 15 8.272 8.272 7.994 0.278 18822 348 1 4 . 1 1 16 16 LYS N N 16 116.153 116.153 121.825 -5.672 18822 349 1 4 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.177 0.085 18822 350 1 4 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.164 -1.274 18822 351 1 4 . 1 1 16 16 LYS H H 16 7.959 7.959 8.204 -0.245 18822 352 1 4 . 1 1 17 17 VAL N N 17 116.676 116.676 116.579 0.097 18822 353 1 4 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.282 -0.281 18822 354 1 4 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.990 1.550 18822 355 1 4 . 1 1 17 17 VAL H H 17 7.991 7.991 8.244 -0.253 18822 356 1 4 . 1 1 18 18 ARG N N 18 120.422 120.422 121.485 -1.063 18822 357 1 4 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.370 0.044 18822 358 1 4 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.434 -1.405 18822 359 1 4 . 1 1 18 18 ARG H H 18 8.075 8.075 8.140 -0.065 18822 360 1 4 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.571 -0.201 18822 361 1 4 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.009 0.231 18822 362 1 4 . 1 1 20 20 THR N N 20 111.614 111.614 115.501 -3.887 18822 363 1 4 . 1 1 20 20 THR HA H 20 4.254 4.254 4.096 0.158 18822 364 1 4 . 1 1 20 20 THR CA C 20 63.960 63.960 66.225 -2.265 18822 365 1 4 . 1 1 20 20 THR H H 20 7.520 7.520 8.106 -0.586 18822 366 1 4 . 1 1 21 21 PHE N N 21 121.158 121.158 121.599 -0.441 18822 367 1 4 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.218 0.163 18822 368 1 4 . 1 1 21 21 PHE CA C 21 59.890 59.890 60.758 -0.868 18822 369 1 4 . 1 1 21 21 PHE H H 21 8.065 8.065 7.690 0.375 18822 370 1 4 . 1 1 22 22 ALA N N 22 120.586 120.586 119.957 0.629 18822 371 1 4 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.143 -0.116 18822 372 1 4 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.269 0.361 18822 373 1 4 . 1 1 22 22 ALA H H 22 8.161 8.161 8.149 0.012 18822 374 1 4 . 1 1 23 23 ALA N N 23 118.530 118.530 122.137 -3.607 18822 375 1 4 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.176 -0.140 18822 376 1 4 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.567 0.153 18822 377 1 4 . 1 1 23 23 ALA H H 23 7.955 7.955 8.416 -0.461 18822 378 1 4 . 1 1 24 24 GLY N N 24 103.400 103.400 104.767 -1.367 18822 379 1 4 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.409 2.241 18822 380 1 4 . 1 1 24 24 GLY H H 24 7.990 7.990 7.751 0.239 18822 381 1 4 . 1 1 25 25 LEU N N 25 118.196 118.196 120.623 -2.427 18822 382 1 4 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.269 -0.115 18822 383 1 4 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.518 -0.968 18822 384 1 4 . 1 1 25 25 LEU H H 25 7.650 7.650 7.222 0.428 18822 385 1 4 . 1 1 26 26 LEU N N 26 116.901 116.901 118.117 -1.216 18822 386 1 4 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.068 0.188 18822 387 1 4 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.267 -1.537 18822 388 1 4 . 1 1 26 26 LEU H H 26 7.638 7.638 7.679 -0.041 18822 389 1 4 . 1 1 27 27 LEU N N 27 117.617 117.617 118.945 -1.328 18822 390 1 4 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.123 0.215 18822 391 1 4 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.368 -1.418 18822 392 1 4 . 1 1 27 27 LEU H H 27 7.673 7.673 7.954 -0.281 18822 393 1 5 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.024 -0.037 18822 394 1 5 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.774 0.796 18822 395 1 5 . 1 1 2 2 ILE H H 2 8.372 8.372 8.386 -0.014 18822 396 1 5 . 1 1 3 3 GLY N N 3 107.813 107.813 105.068 2.745 18822 397 1 5 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.055 1.765 18822 398 1 5 . 1 1 3 3 GLY H H 3 8.410 8.410 7.657 0.753 18822 399 1 5 . 1 1 4 4 MET N N 4 120.990 120.990 121.849 -0.859 18822 400 1 5 . 1 1 4 4 MET HA H 4 4.237 4.237 4.463 -0.226 18822 401 1 5 . 1 1 4 4 MET CA C 4 57.960 57.960 56.956 1.004 18822 402 1 5 . 1 1 4 4 MET H H 4 8.039 8.039 8.155 -0.116 18822 403 1 5 . 1 1 5 5 GLY N N 5 106.894 106.894 106.184 0.710 18822 404 1 5 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.055 1.635 18822 405 1 5 . 1 1 5 5 GLY H H 5 8.199 8.199 8.381 -0.182 18822 406 1 5 . 1 1 6 6 VAL N N 6 115.379 115.379 120.215 -4.836 18822 407 1 5 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.129 -0.375 18822 408 1 5 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.148 2.322 18822 409 1 5 . 1 1 6 6 VAL H H 6 8.268 8.268 7.424 0.844 18822 410 1 5 . 1 1 7 7 THR N N 7 115.692 115.692 116.759 -1.067 18822 411 1 5 . 1 1 7 7 THR HA H 7 3.964 3.964 4.126 -0.162 18822 412 1 5 . 1 1 7 7 THR CA C 7 68.370 68.370 65.172 3.198 18822 413 1 5 . 1 1 7 7 THR H H 7 7.706 7.706 7.811 -0.105 18822 414 1 5 . 1 1 8 8 TYR N N 8 120.854 120.854 121.342 -0.488 18822 415 1 5 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.348 -0.139 18822 416 1 5 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.785 0.885 18822 417 1 5 . 1 1 8 8 TYR H H 8 8.100 8.100 7.764 0.336 18822 418 1 5 . 1 1 9 9 LEU N N 9 117.686 117.686 117.101 0.585 18822 419 1 5 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.425 -0.460 18822 420 1 5 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.208 2.882 18822 421 1 5 . 1 1 9 9 LEU H H 9 8.006 8.006 7.599 0.407 18822 422 1 5 . 1 1 10 10 ALA N N 10 121.286 121.286 123.116 -1.830 18822 423 1 5 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.362 -0.290 18822 424 1 5 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.120 0.340 18822 425 1 5 . 1 1 10 10 ALA H H 10 8.320 8.320 7.980 0.340 18822 426 1 5 . 1 1 11 11 LEU N N 11 119.311 119.311 118.921 0.390 18822 427 1 5 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.225 -0.172 18822 428 1 5 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.422 4.069 18822 429 1 5 . 1 1 11 11 LEU H H 11 8.158 8.158 7.571 0.587 18822 430 1 5 . 1 1 12 12 LEU N N 12 119.405 119.405 118.599 0.806 18822 431 1 5 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.133 -0.154 18822 432 1 5 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.373 1.716 18822 433 1 5 . 1 1 12 12 LEU H H 12 8.211 8.211 7.794 0.417 18822 434 1 5 . 1 1 13 13 ALA N N 13 120.690 120.690 121.203 -0.513 18822 435 1 5 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.401 -0.405 18822 436 1 5 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.566 1.494 18822 437 1 5 . 1 1 13 13 ALA H H 13 8.353 8.353 7.813 0.540 18822 438 1 5 . 1 1 14 14 ALA N N 14 119.292 119.292 122.880 -3.588 18822 439 1 5 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.089 -0.082 18822 440 1 5 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.614 0.456 18822 441 1 5 . 1 1 14 14 ALA H H 14 8.140 8.140 7.703 0.437 18822 442 1 5 . 1 1 15 15 PHE N N 15 119.448 119.448 119.207 0.241 18822 443 1 5 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.216 0.136 18822 444 1 5 . 1 1 15 15 PHE CA C 15 60.070 60.070 61.224 -1.154 18822 445 1 5 . 1 1 15 15 PHE H H 15 8.272 8.272 8.307 -0.035 18822 446 1 5 . 1 1 16 16 LYS N N 16 116.153 116.153 118.973 -2.820 18822 447 1 5 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.126 0.136 18822 448 1 5 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.669 -2.779 18822 449 1 5 . 1 1 16 16 LYS H H 16 7.959 7.959 8.346 -0.387 18822 450 1 5 . 1 1 17 17 VAL N N 17 116.676 116.676 119.389 -2.713 18822 451 1 5 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.838 0.163 18822 452 1 5 . 1 1 17 17 VAL CA C 17 63.540 63.540 64.303 -0.763 18822 453 1 5 . 1 1 17 17 VAL H H 17 7.991 7.991 7.516 0.475 18822 454 1 5 . 1 1 18 18 ARG N N 18 120.422 120.422 119.216 1.206 18822 455 1 5 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.228 0.186 18822 456 1 5 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.820 -1.790 18822 457 1 5 . 1 1 18 18 ARG H H 18 8.075 8.075 7.312 0.763 18822 458 1 5 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.494 -0.124 18822 459 1 5 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.854 0.386 18822 460 1 5 . 1 1 20 20 THR N N 20 111.614 111.614 116.799 -5.185 18822 461 1 5 . 1 1 20 20 THR HA H 20 4.254 4.254 3.996 0.258 18822 462 1 5 . 1 1 20 20 THR CA C 20 63.960 63.960 66.969 -3.009 18822 463 1 5 . 1 1 20 20 THR H H 20 7.520 7.520 7.609 -0.089 18822 464 1 5 . 1 1 21 21 PHE N N 21 121.158 121.158 121.174 -0.016 18822 465 1 5 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.148 0.233 18822 466 1 5 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.467 -1.577 18822 467 1 5 . 1 1 21 21 PHE H H 21 8.065 8.065 7.680 0.385 18822 468 1 5 . 1 1 22 22 ALA N N 22 120.586 120.586 119.956 0.630 18822 469 1 5 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.094 -0.067 18822 470 1 5 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.203 0.427 18822 471 1 5 . 1 1 22 22 ALA H H 22 8.161 8.161 7.668 0.493 18822 472 1 5 . 1 1 23 23 ALA N N 23 118.530 118.530 122.506 -3.976 18822 473 1 5 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.166 -0.130 18822 474 1 5 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.548 0.172 18822 475 1 5 . 1 1 23 23 ALA H H 23 7.955 7.955 8.465 -0.510 18822 476 1 5 . 1 1 24 24 GLY N N 24 103.400 103.400 104.798 -1.398 18822 477 1 5 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.401 2.249 18822 478 1 5 . 1 1 24 24 GLY H H 24 7.990 7.990 7.885 0.105 18822 479 1 5 . 1 1 25 25 LEU N N 25 118.196 118.196 120.032 -1.836 18822 480 1 5 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.896 0.258 18822 481 1 5 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.754 -0.204 18822 482 1 5 . 1 1 25 25 LEU H H 25 7.650 7.650 6.974 0.676 18822 483 1 5 . 1 1 26 26 LEU N N 26 116.901 116.901 117.372 -0.471 18822 484 1 5 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.161 0.095 18822 485 1 5 . 1 1 26 26 LEU CA C 26 55.730 55.730 55.986 -0.256 18822 486 1 5 . 1 1 26 26 LEU H H 26 7.638 7.638 7.484 0.154 18822 487 1 5 . 1 1 27 27 LEU N N 27 117.617 117.617 120.539 -2.922 18822 488 1 5 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.173 0.165 18822 489 1 5 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.182 -0.232 18822 490 1 5 . 1 1 27 27 LEU H H 27 7.673 7.673 7.613 0.060 18822 491 1 6 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.044 -0.057 18822 492 1 6 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.893 0.677 18822 493 1 6 . 1 1 2 2 ILE H H 2 8.372 8.372 8.310 0.062 18822 494 1 6 . 1 1 3 3 GLY N N 3 107.813 107.813 105.719 2.094 18822 495 1 6 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.853 1.967 18822 496 1 6 . 1 1 3 3 GLY H H 3 8.410 8.410 7.714 0.696 18822 497 1 6 . 1 1 4 4 MET N N 4 120.990 120.990 121.825 -0.835 18822 498 1 6 . 1 1 4 4 MET HA H 4 4.237 4.237 4.456 -0.219 18822 499 1 6 . 1 1 4 4 MET CA C 4 57.960 57.960 56.574 1.387 18822 500 1 6 . 1 1 4 4 MET H H 4 8.039 8.039 8.272 -0.233 18822 501 1 6 . 1 1 5 5 GLY N N 5 106.894 106.894 105.981 0.913 18822 502 1 6 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.049 1.641 18822 503 1 6 . 1 1 5 5 GLY H H 5 8.199 8.199 8.392 -0.193 18822 504 1 6 . 1 1 6 6 VAL N N 6 115.379 115.379 119.705 -4.326 18822 505 1 6 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.062 -0.308 18822 506 1 6 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.487 1.983 18822 507 1 6 . 1 1 6 6 VAL H H 6 8.268 8.268 7.380 0.888 18822 508 1 6 . 1 1 7 7 THR N N 7 115.692 115.692 116.374 -0.682 18822 509 1 6 . 1 1 7 7 THR HA H 7 3.964 3.964 4.082 -0.118 18822 510 1 6 . 1 1 7 7 THR CA C 7 68.370 68.370 65.187 3.183 18822 511 1 6 . 1 1 7 7 THR H H 7 7.706 7.706 7.831 -0.125 18822 512 1 6 . 1 1 8 8 TYR N N 8 120.854 120.854 121.331 -0.477 18822 513 1 6 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.346 -0.137 18822 514 1 6 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.761 0.909 18822 515 1 6 . 1 1 8 8 TYR H H 8 8.100 8.100 7.760 0.340 18822 516 1 6 . 1 1 9 9 LEU N N 9 117.686 117.686 117.115 0.571 18822 517 1 6 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.428 -0.463 18822 518 1 6 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.194 2.896 18822 519 1 6 . 1 1 9 9 LEU H H 9 8.006 8.006 7.594 0.412 18822 520 1 6 . 1 1 10 10 ALA N N 10 121.286 121.286 123.106 -1.820 18822 521 1 6 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.369 -0.297 18822 522 1 6 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.105 0.355 18822 523 1 6 . 1 1 10 10 ALA H H 10 8.320 8.320 7.991 0.329 18822 524 1 6 . 1 1 11 11 LEU N N 11 119.311 119.311 119.053 0.258 18822 525 1 6 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.210 -0.157 18822 526 1 6 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.469 4.021 18822 527 1 6 . 1 1 11 11 LEU H H 11 8.158 8.158 7.444 0.714 18822 528 1 6 . 1 1 12 12 LEU N N 12 119.405 119.405 118.578 0.827 18822 529 1 6 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.165 -0.186 18822 530 1 6 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.058 2.032 18822 531 1 6 . 1 1 12 12 LEU H H 12 8.211 8.211 7.813 0.398 18822 532 1 6 . 1 1 13 13 ALA N N 13 120.690 120.690 121.666 -0.976 18822 533 1 6 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.371 -0.375 18822 534 1 6 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.532 1.528 18822 535 1 6 . 1 1 13 13 ALA H H 13 8.353 8.353 7.861 0.492 18822 536 1 6 . 1 1 14 14 ALA N N 14 119.292 119.292 122.005 -2.713 18822 537 1 6 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.057 -0.050 18822 538 1 6 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.362 0.708 18822 539 1 6 . 1 1 14 14 ALA H H 14 8.140 8.140 7.698 0.442 18822 540 1 6 . 1 1 15 15 PHE N N 15 119.448 119.448 118.214 1.234 18822 541 1 6 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.327 0.025 18822 542 1 6 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.165 -0.095 18822 543 1 6 . 1 1 15 15 PHE H H 15 8.272 8.272 7.999 0.273 18822 544 1 6 . 1 1 16 16 LYS N N 16 116.153 116.153 120.563 -4.410 18822 545 1 6 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.251 0.011 18822 546 1 6 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.100 -1.210 18822 547 1 6 . 1 1 16 16 LYS H H 16 7.959 7.959 8.127 -0.168 18822 548 1 6 . 1 1 17 17 VAL N N 17 116.676 116.676 116.318 0.358 18822 549 1 6 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.370 -0.369 18822 550 1 6 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.597 1.942 18822 551 1 6 . 1 1 17 17 VAL H H 17 7.991 7.991 8.270 -0.279 18822 552 1 6 . 1 1 18 18 ARG N N 18 120.422 120.422 122.545 -2.123 18822 553 1 6 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.231 0.183 18822 554 1 6 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.986 -0.956 18822 555 1 6 . 1 1 18 18 ARG H H 18 8.075 8.075 8.157 -0.082 18822 556 1 6 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.586 -0.216 18822 557 1 6 . 1 1 19 19 PRO CA C 19 65.240 65.240 65.021 0.219 18822 558 1 6 . 1 1 20 20 THR N N 20 111.614 111.614 115.422 -3.808 18822 559 1 6 . 1 1 20 20 THR HA H 20 4.254 4.254 4.149 0.105 18822 560 1 6 . 1 1 20 20 THR CA C 20 63.960 63.960 66.384 -2.424 18822 561 1 6 . 1 1 20 20 THR H H 20 7.520 7.520 8.222 -0.702 18822 562 1 6 . 1 1 21 21 PHE N N 21 121.158 121.158 121.696 -0.538 18822 563 1 6 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.121 0.260 18822 564 1 6 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.758 -1.868 18822 565 1 6 . 1 1 21 21 PHE H H 21 8.065 8.065 7.748 0.317 18822 566 1 6 . 1 1 22 22 ALA N N 22 120.586 120.586 119.857 0.729 18822 567 1 6 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.115 -0.088 18822 568 1 6 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.265 0.365 18822 569 1 6 . 1 1 22 22 ALA H H 22 8.161 8.161 8.144 0.017 18822 570 1 6 . 1 1 23 23 ALA N N 23 118.530 118.530 122.114 -3.584 18822 571 1 6 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.162 -0.126 18822 572 1 6 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.548 0.172 18822 573 1 6 . 1 1 23 23 ALA H H 23 7.955 7.955 8.400 -0.445 18822 574 1 6 . 1 1 24 24 GLY N N 24 103.400 103.400 104.722 -1.322 18822 575 1 6 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.358 2.292 18822 576 1 6 . 1 1 24 24 GLY H H 24 7.990 7.990 7.701 0.289 18822 577 1 6 . 1 1 25 25 LEU N N 25 118.196 118.196 120.136 -1.940 18822 578 1 6 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.963 0.191 18822 579 1 6 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.961 -0.411 18822 580 1 6 . 1 1 25 25 LEU H H 25 7.650 7.650 7.047 0.603 18822 581 1 6 . 1 1 26 26 LEU N N 26 116.901 116.901 117.484 -0.583 18822 582 1 6 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.146 0.110 18822 583 1 6 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.189 -0.459 18822 584 1 6 . 1 1 26 26 LEU H H 26 7.638 7.638 7.531 0.107 18822 585 1 6 . 1 1 27 27 LEU N N 27 117.617 117.617 120.142 -2.525 18822 586 1 6 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.238 0.100 18822 587 1 6 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.436 0.514 18822 588 1 6 . 1 1 27 27 LEU H H 27 7.673 7.673 7.652 0.021 18822 589 1 7 . 1 1 2 2 ILE HA H 2 3.987 3.987 3.979 0.008 18822 590 1 7 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.926 0.644 18822 591 1 7 . 1 1 2 2 ILE H H 2 8.372 8.372 8.363 0.009 18822 592 1 7 . 1 1 3 3 GLY N N 3 107.813 107.813 105.010 2.803 18822 593 1 7 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.974 1.846 18822 594 1 7 . 1 1 3 3 GLY H H 3 8.410 8.410 7.663 0.747 18822 595 1 7 . 1 1 4 4 MET N N 4 120.990 120.990 121.874 -0.884 18822 596 1 7 . 1 1 4 4 MET HA H 4 4.237 4.237 4.452 -0.215 18822 597 1 7 . 1 1 4 4 MET CA C 4 57.960 57.960 56.938 1.022 18822 598 1 7 . 1 1 4 4 MET H H 4 8.039 8.039 8.143 -0.104 18822 599 1 7 . 1 1 5 5 GLY N N 5 106.894 106.894 106.091 0.803 18822 600 1 7 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.014 1.676 18822 601 1 7 . 1 1 5 5 GLY H H 5 8.199 8.199 8.407 -0.208 18822 602 1 7 . 1 1 6 6 VAL N N 6 115.379 115.379 119.640 -4.261 18822 603 1 7 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.055 -0.301 18822 604 1 7 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.408 2.062 18822 605 1 7 . 1 1 6 6 VAL H H 6 8.268 8.268 7.314 0.954 18822 606 1 7 . 1 1 7 7 THR N N 7 115.692 115.692 116.130 -0.438 18822 607 1 7 . 1 1 7 7 THR HA H 7 3.964 3.964 4.048 -0.084 18822 608 1 7 . 1 1 7 7 THR CA C 7 68.370 68.370 66.039 2.331 18822 609 1 7 . 1 1 7 7 THR H H 7 7.706 7.706 7.800 -0.094 18822 610 1 7 . 1 1 8 8 TYR N N 8 120.854 120.854 121.711 -0.857 18822 611 1 7 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.325 -0.116 18822 612 1 7 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.867 0.803 18822 613 1 7 . 1 1 8 8 TYR H H 8 8.100 8.100 7.750 0.350 18822 614 1 7 . 1 1 9 9 LEU N N 9 117.686 117.686 117.080 0.606 18822 615 1 7 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.415 -0.450 18822 616 1 7 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.175 2.916 18822 617 1 7 . 1 1 9 9 LEU H H 9 8.006 8.006 7.576 0.430 18822 618 1 7 . 1 1 10 10 ALA N N 10 121.286 121.286 123.058 -1.772 18822 619 1 7 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.354 -0.282 18822 620 1 7 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.052 0.408 18822 621 1 7 . 1 1 10 10 ALA H H 10 8.320 8.320 7.970 0.350 18822 622 1 7 . 1 1 11 11 LEU N N 11 119.311 119.311 118.869 0.442 18822 623 1 7 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.081 -0.028 18822 624 1 7 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.277 4.213 18822 625 1 7 . 1 1 11 11 LEU H H 11 8.158 8.158 7.500 0.658 18822 626 1 7 . 1 1 12 12 LEU N N 12 119.405 119.405 118.605 0.800 18822 627 1 7 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.120 -0.141 18822 628 1 7 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.341 1.749 18822 629 1 7 . 1 1 12 12 LEU H H 12 8.211 8.211 7.762 0.449 18822 630 1 7 . 1 1 13 13 ALA N N 13 120.690 120.690 121.155 -0.465 18822 631 1 7 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.365 -0.369 18822 632 1 7 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.566 1.494 18822 633 1 7 . 1 1 13 13 ALA H H 13 8.353 8.353 7.818 0.535 18822 634 1 7 . 1 1 14 14 ALA N N 14 119.292 119.292 122.554 -3.262 18822 635 1 7 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.115 -0.108 18822 636 1 7 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.534 0.536 18822 637 1 7 . 1 1 14 14 ALA H H 14 8.140 8.140 7.700 0.440 18822 638 1 7 . 1 1 15 15 PHE N N 15 119.448 119.448 118.633 0.815 18822 639 1 7 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.295 0.057 18822 640 1 7 . 1 1 15 15 PHE CA C 15 60.070 60.070 59.837 0.233 18822 641 1 7 . 1 1 15 15 PHE H H 15 8.272 8.272 8.106 0.166 18822 642 1 7 . 1 1 16 16 LYS N N 16 116.153 116.153 117.908 -1.755 18822 643 1 7 . 1 1 16 16 LYS HA H 16 4.262 4.262 3.876 0.386 18822 644 1 7 . 1 1 16 16 LYS CA C 16 55.890 55.890 58.595 -2.705 18822 645 1 7 . 1 1 16 16 LYS H H 16 7.959 7.959 7.977 -0.018 18822 646 1 7 . 1 1 17 17 VAL N N 17 116.676 116.676 113.652 3.024 18822 647 1 7 . 1 1 17 17 VAL HA H 17 4.001 4.001 3.673 0.328 18822 648 1 7 . 1 1 17 17 VAL CA C 17 63.540 63.540 63.945 -0.405 18822 649 1 7 . 1 1 17 17 VAL H H 17 7.991 7.991 7.216 0.775 18822 650 1 7 . 1 1 18 18 ARG N N 18 120.422 120.422 122.096 -1.674 18822 651 1 7 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.071 0.343 18822 652 1 7 . 1 1 18 18 ARG CA C 18 58.030 58.030 55.778 2.252 18822 653 1 7 . 1 1 18 18 ARG H H 18 8.075 8.075 7.221 0.854 18822 654 1 7 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.433 -0.063 18822 655 1 7 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.760 0.480 18822 656 1 7 . 1 1 20 20 THR N N 20 111.614 111.614 114.860 -3.246 18822 657 1 7 . 1 1 20 20 THR HA H 20 4.254 4.254 4.055 0.199 18822 658 1 7 . 1 1 20 20 THR CA C 20 63.960 63.960 66.158 -2.198 18822 659 1 7 . 1 1 20 20 THR H H 20 7.520 7.520 8.413 -0.893 18822 660 1 7 . 1 1 21 21 PHE N N 21 121.158 121.158 122.238 -1.080 18822 661 1 7 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.171 0.210 18822 662 1 7 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.445 -1.555 18822 663 1 7 . 1 1 21 21 PHE H H 21 8.065 8.065 7.732 0.333 18822 664 1 7 . 1 1 22 22 ALA N N 22 120.586 120.586 120.017 0.569 18822 665 1 7 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.124 -0.097 18822 666 1 7 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.116 0.514 18822 667 1 7 . 1 1 22 22 ALA H H 22 8.161 8.161 7.717 0.444 18822 668 1 7 . 1 1 23 23 ALA N N 23 118.530 118.530 122.532 -4.002 18822 669 1 7 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.167 -0.131 18822 670 1 7 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.537 0.183 18822 671 1 7 . 1 1 23 23 ALA H H 23 7.955 7.955 8.406 -0.451 18822 672 1 7 . 1 1 24 24 GLY N N 24 103.400 103.400 105.306 -1.906 18822 673 1 7 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.084 2.566 18822 674 1 7 . 1 1 24 24 GLY H H 24 7.990 7.990 7.731 0.259 18822 675 1 7 . 1 1 25 25 LEU N N 25 118.196 118.196 117.496 0.700 18822 676 1 7 . 1 1 25 25 LEU HA H 25 4.154 4.154 3.964 0.190 18822 677 1 7 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.213 0.337 18822 678 1 7 . 1 1 25 25 LEU H H 25 7.650 7.650 6.930 0.720 18822 679 1 7 . 1 1 26 26 LEU N N 26 116.901 116.901 120.368 -3.467 18822 680 1 7 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.166 0.090 18822 681 1 7 . 1 1 26 26 LEU CA C 26 55.730 55.730 54.910 0.820 18822 682 1 7 . 1 1 26 26 LEU H H 26 7.638 7.638 7.466 0.172 18822 683 1 7 . 1 1 27 27 LEU N N 27 117.617 117.617 125.862 -8.245 18822 684 1 7 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.200 0.138 18822 685 1 7 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.145 -0.195 18822 686 1 7 . 1 1 27 27 LEU H H 27 7.673 7.673 8.188 -0.515 18822 687 1 8 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.069 -0.082 18822 688 1 8 . 1 1 2 2 ILE CA C 2 63.570 63.570 63.035 0.535 18822 689 1 8 . 1 1 2 2 ILE H H 2 8.372 8.372 8.603 -0.231 18822 690 1 8 . 1 1 3 3 GLY N N 3 107.813 107.813 105.980 1.833 18822 691 1 8 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.823 1.997 18822 692 1 8 . 1 1 3 3 GLY H H 3 8.410 8.410 7.717 0.693 18822 693 1 8 . 1 1 4 4 MET N N 4 120.990 120.990 121.542 -0.552 18822 694 1 8 . 1 1 4 4 MET HA H 4 4.237 4.237 4.493 -0.256 18822 695 1 8 . 1 1 4 4 MET CA C 4 57.960 57.960 55.086 2.874 18822 696 1 8 . 1 1 4 4 MET H H 4 8.039 8.039 8.417 -0.378 18822 697 1 8 . 1 1 5 5 GLY N N 5 106.894 106.894 105.965 0.929 18822 698 1 8 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.142 1.548 18822 699 1 8 . 1 1 5 5 GLY H H 5 8.199 8.199 8.424 -0.225 18822 700 1 8 . 1 1 6 6 VAL N N 6 115.379 115.379 119.802 -4.423 18822 701 1 8 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.037 -0.283 18822 702 1 8 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.561 1.909 18822 703 1 8 . 1 1 6 6 VAL H H 6 8.268 8.268 7.372 0.896 18822 704 1 8 . 1 1 7 7 THR N N 7 115.692 115.692 116.337 -0.645 18822 705 1 8 . 1 1 7 7 THR HA H 7 3.964 3.964 4.062 -0.098 18822 706 1 8 . 1 1 7 7 THR CA C 7 68.370 68.370 65.160 3.210 18822 707 1 8 . 1 1 7 7 THR H H 7 7.706 7.706 7.817 -0.111 18822 708 1 8 . 1 1 8 8 TYR N N 8 120.854 120.854 120.923 -0.069 18822 709 1 8 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.303 -0.094 18822 710 1 8 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.879 0.791 18822 711 1 8 . 1 1 8 8 TYR H H 8 8.100 8.100 7.777 0.323 18822 712 1 8 . 1 1 9 9 LEU N N 9 117.686 117.686 116.071 1.615 18822 713 1 8 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.418 -0.453 18822 714 1 8 . 1 1 9 9 LEU CA C 9 58.090 58.090 54.888 3.202 18822 715 1 8 . 1 1 9 9 LEU H H 9 8.006 8.006 7.533 0.473 18822 716 1 8 . 1 1 10 10 ALA N N 10 121.286 121.286 123.130 -1.844 18822 717 1 8 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.347 -0.275 18822 718 1 8 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.151 0.309 18822 719 1 8 . 1 1 10 10 ALA H H 10 8.320 8.320 7.992 0.328 18822 720 1 8 . 1 1 11 11 LEU N N 11 119.311 119.311 119.079 0.232 18822 721 1 8 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.032 0.021 18822 722 1 8 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.399 4.091 18822 723 1 8 . 1 1 11 11 LEU H H 11 8.158 8.158 7.461 0.697 18822 724 1 8 . 1 1 12 12 LEU N N 12 119.405 119.405 118.112 1.293 18822 725 1 8 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.144 -0.165 18822 726 1 8 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.413 1.677 18822 727 1 8 . 1 1 12 12 LEU H H 12 8.211 8.211 7.677 0.534 18822 728 1 8 . 1 1 13 13 ALA N N 13 120.690 120.690 120.881 -0.191 18822 729 1 8 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.311 -0.315 18822 730 1 8 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.976 1.084 18822 731 1 8 . 1 1 13 13 ALA H H 13 8.353 8.353 7.869 0.484 18822 732 1 8 . 1 1 14 14 ALA N N 14 119.292 119.292 122.021 -2.729 18822 733 1 8 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.053 -0.046 18822 734 1 8 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.398 0.672 18822 735 1 8 . 1 1 14 14 ALA H H 14 8.140 8.140 7.678 0.462 18822 736 1 8 . 1 1 15 15 PHE N N 15 119.448 119.448 118.330 1.118 18822 737 1 8 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.336 0.016 18822 738 1 8 . 1 1 15 15 PHE CA C 15 60.070 60.070 59.770 0.300 18822 739 1 8 . 1 1 15 15 PHE H H 15 8.272 8.272 8.022 0.250 18822 740 1 8 . 1 1 16 16 LYS N N 16 116.153 116.153 121.236 -5.083 18822 741 1 8 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.178 0.084 18822 742 1 8 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.359 -1.469 18822 743 1 8 . 1 1 16 16 LYS H H 16 7.959 7.959 8.174 -0.215 18822 744 1 8 . 1 1 17 17 VAL N N 17 116.676 116.676 116.330 0.346 18822 745 1 8 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.433 -0.432 18822 746 1 8 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.523 2.017 18822 747 1 8 . 1 1 17 17 VAL H H 17 7.991 7.991 8.097 -0.106 18822 748 1 8 . 1 1 18 18 ARG N N 18 120.422 120.422 122.489 -2.067 18822 749 1 8 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.273 0.141 18822 750 1 8 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.787 -1.757 18822 751 1 8 . 1 1 18 18 ARG H H 18 8.075 8.075 8.173 -0.098 18822 752 1 8 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.638 -0.268 18822 753 1 8 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.876 0.364 18822 754 1 8 . 1 1 20 20 THR N N 20 111.614 111.614 115.881 -4.267 18822 755 1 8 . 1 1 20 20 THR HA H 20 4.254 4.254 4.139 0.115 18822 756 1 8 . 1 1 20 20 THR CA C 20 63.960 63.960 66.428 -2.468 18822 757 1 8 . 1 1 20 20 THR H H 20 7.520 7.520 8.195 -0.675 18822 758 1 8 . 1 1 21 21 PHE N N 21 121.158 121.158 121.707 -0.549 18822 759 1 8 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.234 0.147 18822 760 1 8 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.290 -1.400 18822 761 1 8 . 1 1 21 21 PHE H H 21 8.065 8.065 7.688 0.377 18822 762 1 8 . 1 1 22 22 ALA N N 22 120.586 120.586 119.948 0.638 18822 763 1 8 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.156 -0.129 18822 764 1 8 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.240 0.390 18822 765 1 8 . 1 1 22 22 ALA H H 22 8.161 8.161 8.134 0.027 18822 766 1 8 . 1 1 23 23 ALA N N 23 118.530 118.530 122.338 -3.808 18822 767 1 8 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.162 -0.126 18822 768 1 8 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.593 0.127 18822 769 1 8 . 1 1 23 23 ALA H H 23 7.955 7.955 8.394 -0.439 18822 770 1 8 . 1 1 24 24 GLY N N 24 103.400 103.400 105.160 -1.760 18822 771 1 8 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.055 2.595 18822 772 1 8 . 1 1 24 24 GLY H H 24 7.990 7.990 7.646 0.344 18822 773 1 8 . 1 1 25 25 LEU N N 25 118.196 118.196 118.067 0.129 18822 774 1 8 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.269 -0.115 18822 775 1 8 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.688 -0.138 18822 776 1 8 . 1 1 25 25 LEU H H 25 7.650 7.650 7.166 0.484 18822 777 1 8 . 1 1 26 26 LEU N N 26 116.901 116.901 120.424 -3.523 18822 778 1 8 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.252 0.004 18822 779 1 8 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.003 -0.273 18822 780 1 8 . 1 1 26 26 LEU H H 26 7.638 7.638 7.573 0.065 18822 781 1 8 . 1 1 27 27 LEU N N 27 117.617 117.617 120.738 -3.121 18822 782 1 8 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.569 -0.231 18822 783 1 8 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.999 -0.049 18822 784 1 8 . 1 1 27 27 LEU H H 27 7.673 7.673 8.299 -0.626 18822 785 1 9 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.120 -0.133 18822 786 1 9 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.079 1.491 18822 787 1 9 . 1 1 2 2 ILE H H 2 8.372 8.372 8.490 -0.118 18822 788 1 9 . 1 1 3 3 GLY N N 3 107.813 107.813 116.447 -8.634 18822 789 1 9 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.938 0.882 18822 790 1 9 . 1 1 3 3 GLY H H 3 8.410 8.410 8.683 -0.273 18822 791 1 9 . 1 1 4 4 MET N N 4 120.990 120.990 119.344 1.646 18822 792 1 9 . 1 1 4 4 MET HA H 4 4.237 4.237 4.230 0.007 18822 793 1 9 . 1 1 4 4 MET CA C 4 57.960 57.960 57.228 0.732 18822 794 1 9 . 1 1 4 4 MET H H 4 8.039 8.039 7.600 0.439 18822 795 1 9 . 1 1 5 5 GLY N N 5 106.894 106.894 105.234 1.660 18822 796 1 9 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.054 1.635 18822 797 1 9 . 1 1 5 5 GLY H H 5 8.199 8.199 8.285 -0.086 18822 798 1 9 . 1 1 6 6 VAL N N 6 115.379 115.379 119.531 -4.152 18822 799 1 9 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.125 -0.371 18822 800 1 9 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.088 2.382 18822 801 1 9 . 1 1 6 6 VAL H H 6 8.268 8.268 8.050 0.218 18822 802 1 9 . 1 1 7 7 THR N N 7 115.692 115.692 116.295 -0.603 18822 803 1 9 . 1 1 7 7 THR HA H 7 3.964 3.964 4.121 -0.157 18822 804 1 9 . 1 1 7 7 THR CA C 7 68.370 68.370 65.830 2.540 18822 805 1 9 . 1 1 7 7 THR H H 7 7.706 7.706 7.391 0.315 18822 806 1 9 . 1 1 8 8 TYR N N 8 120.854 120.854 121.943 -1.089 18822 807 1 9 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.330 -0.121 18822 808 1 9 . 1 1 8 8 TYR CA C 8 61.670 61.670 61.053 0.617 18822 809 1 9 . 1 1 8 8 TYR H H 8 8.100 8.100 7.851 0.249 18822 810 1 9 . 1 1 9 9 LEU N N 9 117.686 117.686 116.959 0.727 18822 811 1 9 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.433 -0.468 18822 812 1 9 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.195 2.895 18822 813 1 9 . 1 1 9 9 LEU H H 9 8.006 8.006 7.545 0.461 18822 814 1 9 . 1 1 10 10 ALA N N 10 121.286 121.286 123.092 -1.806 18822 815 1 9 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.356 -0.284 18822 816 1 9 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.116 0.344 18822 817 1 9 . 1 1 10 10 ALA H H 10 8.320 8.320 7.808 0.512 18822 818 1 9 . 1 1 11 11 LEU N N 11 119.311 119.311 118.992 0.319 18822 819 1 9 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.192 -0.139 18822 820 1 9 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.460 4.030 18822 821 1 9 . 1 1 11 11 LEU H H 11 8.158 8.158 7.446 0.712 18822 822 1 9 . 1 1 12 12 LEU N N 12 119.405 119.405 118.247 1.158 18822 823 1 9 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.191 -0.212 18822 824 1 9 . 1 1 12 12 LEU CA C 12 58.090 58.090 55.882 2.208 18822 825 1 9 . 1 1 12 12 LEU H H 12 8.211 8.211 7.713 0.498 18822 826 1 9 . 1 1 13 13 ALA N N 13 120.690 120.690 120.326 0.364 18822 827 1 9 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.312 -0.316 18822 828 1 9 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.781 1.279 18822 829 1 9 . 1 1 13 13 ALA H H 13 8.353 8.353 7.847 0.506 18822 830 1 9 . 1 1 14 14 ALA N N 14 119.292 119.292 122.010 -2.718 18822 831 1 9 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.055 -0.048 18822 832 1 9 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.364 0.706 18822 833 1 9 . 1 1 14 14 ALA H H 14 8.140 8.140 7.695 0.445 18822 834 1 9 . 1 1 15 15 PHE N N 15 119.448 119.448 118.225 1.223 18822 835 1 9 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.330 0.022 18822 836 1 9 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.135 -0.065 18822 837 1 9 . 1 1 15 15 PHE H H 15 8.272 8.272 8.002 0.270 18822 838 1 9 . 1 1 16 16 LYS N N 16 116.153 116.153 121.270 -5.117 18822 839 1 9 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.217 0.045 18822 840 1 9 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.388 -1.498 18822 841 1 9 . 1 1 16 16 LYS H H 16 7.959 7.959 8.174 -0.215 18822 842 1 9 . 1 1 17 17 VAL N N 17 116.676 116.676 116.139 0.537 18822 843 1 9 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.443 -0.442 18822 844 1 9 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.536 2.004 18822 845 1 9 . 1 1 17 17 VAL H H 17 7.991 7.991 8.133 -0.142 18822 846 1 9 . 1 1 18 18 ARG N N 18 120.422 120.422 122.524 -2.102 18822 847 1 9 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.271 0.143 18822 848 1 9 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.815 -1.785 18822 849 1 9 . 1 1 18 18 ARG H H 18 8.075 8.075 8.176 -0.101 18822 850 1 9 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.646 -0.276 18822 851 1 9 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.882 0.358 18822 852 1 9 . 1 1 20 20 THR N N 20 111.614 111.614 115.823 -4.209 18822 853 1 9 . 1 1 20 20 THR HA H 20 4.254 4.254 4.150 0.104 18822 854 1 9 . 1 1 20 20 THR CA C 20 63.960 63.960 66.199 -2.239 18822 855 1 9 . 1 1 20 20 THR H H 20 7.520 7.520 8.230 -0.710 18822 856 1 9 . 1 1 21 21 PHE N N 21 121.158 121.158 121.618 -0.460 18822 857 1 9 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.173 0.208 18822 858 1 9 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.743 -1.853 18822 859 1 9 . 1 1 21 21 PHE H H 21 8.065 8.065 7.723 0.342 18822 860 1 9 . 1 1 22 22 ALA N N 22 120.586 120.586 119.892 0.694 18822 861 1 9 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.150 -0.123 18822 862 1 9 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.291 0.339 18822 863 1 9 . 1 1 22 22 ALA H H 22 8.161 8.161 8.122 0.039 18822 864 1 9 . 1 1 23 23 ALA N N 23 118.530 118.530 122.105 -3.575 18822 865 1 9 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.168 -0.132 18822 866 1 9 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.558 0.162 18822 867 1 9 . 1 1 23 23 ALA H H 23 7.955 7.955 8.405 -0.450 18822 868 1 9 . 1 1 24 24 GLY N N 24 103.400 103.400 104.719 -1.319 18822 869 1 9 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.372 2.278 18822 870 1 9 . 1 1 24 24 GLY H H 24 7.990 7.990 7.708 0.282 18822 871 1 9 . 1 1 25 25 LEU N N 25 118.196 118.196 120.763 -2.567 18822 872 1 9 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.114 0.040 18822 873 1 9 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.499 -0.949 18822 874 1 9 . 1 1 25 25 LEU H H 25 7.650 7.650 7.185 0.465 18822 875 1 9 . 1 1 26 26 LEU N N 26 116.901 116.901 118.581 -1.680 18822 876 1 9 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.075 0.181 18822 877 1 9 . 1 1 26 26 LEU CA C 26 55.730 55.730 57.447 -1.717 18822 878 1 9 . 1 1 26 26 LEU H H 26 7.638 7.638 7.662 -0.024 18822 879 1 9 . 1 1 27 27 LEU N N 27 117.617 117.617 119.338 -1.721 18822 880 1 9 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.164 0.174 18822 881 1 9 . 1 1 27 27 LEU CA C 27 54.950 54.950 56.050 -1.099 18822 882 1 9 . 1 1 27 27 LEU H H 27 7.673 7.673 7.961 -0.288 18822 883 1 10 . 1 1 2 2 ILE HA H 2 3.987 3.987 4.045 -0.058 18822 884 1 10 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.927 0.643 18822 885 1 10 . 1 1 2 2 ILE H H 2 8.372 8.372 8.308 0.064 18822 886 1 10 . 1 1 3 3 GLY N N 3 107.813 107.813 105.701 2.112 18822 887 1 10 . 1 1 3 3 GLY CA C 3 46.820 46.820 44.790 2.030 18822 888 1 10 . 1 1 3 3 GLY H H 3 8.410 8.410 7.753 0.657 18822 889 1 10 . 1 1 4 4 MET N N 4 120.990 120.990 122.279 -1.289 18822 890 1 10 . 1 1 4 4 MET HA H 4 4.237 4.237 4.434 -0.197 18822 891 1 10 . 1 1 4 4 MET CA C 4 57.960 57.960 56.390 1.570 18822 892 1 10 . 1 1 4 4 MET H H 4 8.039 8.039 8.192 -0.153 18822 893 1 10 . 1 1 5 5 GLY N N 5 106.894 106.894 105.512 1.382 18822 894 1 10 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.189 1.501 18822 895 1 10 . 1 1 5 5 GLY H H 5 8.199 8.199 8.658 -0.459 18822 896 1 10 . 1 1 6 6 VAL N N 6 115.379 115.379 118.711 -3.332 18822 897 1 10 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.130 -0.376 18822 898 1 10 . 1 1 6 6 VAL CA C 6 66.470 66.470 63.791 2.679 18822 899 1 10 . 1 1 6 6 VAL H H 6 8.268 8.268 7.311 0.957 18822 900 1 10 . 1 1 7 7 THR N N 7 115.692 115.692 115.935 -0.243 18822 901 1 10 . 1 1 7 7 THR HA H 7 3.964 3.964 4.059 -0.095 18822 902 1 10 . 1 1 7 7 THR CA C 7 68.370 68.370 65.944 2.426 18822 903 1 10 . 1 1 7 7 THR H H 7 7.706 7.706 7.676 0.030 18822 904 1 10 . 1 1 8 8 TYR N N 8 120.854 120.854 121.408 -0.554 18822 905 1 10 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.313 -0.104 18822 906 1 10 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.999 0.671 18822 907 1 10 . 1 1 8 8 TYR H H 8 8.100 8.100 7.889 0.211 18822 908 1 10 . 1 1 9 9 LEU N N 9 117.686 117.686 117.010 0.676 18822 909 1 10 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.431 -0.466 18822 910 1 10 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.171 2.919 18822 911 1 10 . 1 1 9 9 LEU H H 9 8.006 8.006 7.541 0.465 18822 912 1 10 . 1 1 10 10 ALA N N 10 121.286 121.286 123.119 -1.833 18822 913 1 10 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.364 -0.292 18822 914 1 10 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.096 0.364 18822 915 1 10 . 1 1 10 10 ALA H H 10 8.320 8.320 7.976 0.344 18822 916 1 10 . 1 1 11 11 LEU N N 11 119.311 119.311 118.915 0.396 18822 917 1 10 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.138 -0.085 18822 918 1 10 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.350 4.140 18822 919 1 10 . 1 1 11 11 LEU H H 11 8.158 8.158 7.544 0.614 18822 920 1 10 . 1 1 12 12 LEU N N 12 119.405 119.405 118.540 0.865 18822 921 1 10 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.137 -0.158 18822 922 1 10 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.369 1.721 18822 923 1 10 . 1 1 12 12 LEU H H 12 8.211 8.211 7.766 0.445 18822 924 1 10 . 1 1 13 13 ALA N N 13 120.690 120.690 121.195 -0.505 18822 925 1 10 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.408 -0.412 18822 926 1 10 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.536 1.524 18822 927 1 10 . 1 1 13 13 ALA H H 13 8.353 8.353 7.799 0.554 18822 928 1 10 . 1 1 14 14 ALA N N 14 119.292 119.292 121.998 -2.706 18822 929 1 10 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.051 -0.044 18822 930 1 10 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.363 0.707 18822 931 1 10 . 1 1 14 14 ALA H H 14 8.140 8.140 7.690 0.450 18822 932 1 10 . 1 1 15 15 PHE N N 15 119.448 119.448 118.231 1.217 18822 933 1 10 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.330 0.022 18822 934 1 10 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.086 -0.016 18822 935 1 10 . 1 1 15 15 PHE H H 15 8.272 8.272 7.995 0.277 18822 936 1 10 . 1 1 16 16 LYS N N 16 116.153 116.153 121.468 -5.315 18822 937 1 10 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.179 0.083 18822 938 1 10 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.447 -1.556 18822 939 1 10 . 1 1 16 16 LYS H H 16 7.959 7.959 8.159 -0.200 18822 940 1 10 . 1 1 17 17 VAL N N 17 116.676 116.676 115.616 1.060 18822 941 1 10 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.414 -0.413 18822 942 1 10 . 1 1 17 17 VAL CA C 17 63.540 63.540 61.234 2.306 18822 943 1 10 . 1 1 17 17 VAL H H 17 7.991 7.991 8.057 -0.066 18822 944 1 10 . 1 1 18 18 ARG N N 18 120.422 120.422 122.712 -2.290 18822 945 1 10 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.284 0.130 18822 946 1 10 . 1 1 18 18 ARG CA C 18 58.030 58.030 59.779 -1.749 18822 947 1 10 . 1 1 18 18 ARG H H 18 8.075 8.075 8.051 0.024 18822 948 1 10 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.645 -0.275 18822 949 1 10 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.891 0.348 18822 950 1 10 . 1 1 20 20 THR N N 20 111.614 111.614 115.912 -4.298 18822 951 1 10 . 1 1 20 20 THR HA H 20 4.254 4.254 4.139 0.115 18822 952 1 10 . 1 1 20 20 THR CA C 20 63.960 63.960 66.582 -2.622 18822 953 1 10 . 1 1 20 20 THR H H 20 7.520 7.520 8.186 -0.666 18822 954 1 10 . 1 1 21 21 PHE N N 21 121.158 121.158 121.845 -0.687 18822 955 1 10 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.149 0.232 18822 956 1 10 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.141 -1.251 18822 957 1 10 . 1 1 21 21 PHE H H 21 8.065 8.065 7.679 0.386 18822 958 1 10 . 1 1 22 22 ALA N N 22 120.586 120.586 119.974 0.612 18822 959 1 10 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.154 -0.127 18822 960 1 10 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.237 0.393 18822 961 1 10 . 1 1 22 22 ALA H H 22 8.161 8.161 8.137 0.024 18822 962 1 10 . 1 1 23 23 ALA N N 23 118.530 118.530 122.342 -3.812 18822 963 1 10 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.167 -0.131 18822 964 1 10 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.602 0.118 18822 965 1 10 . 1 1 23 23 ALA H H 23 7.955 7.955 8.402 -0.447 18822 966 1 10 . 1 1 24 24 GLY N N 24 103.400 103.400 105.167 -1.767 18822 967 1 10 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.781 1.869 18822 968 1 10 . 1 1 24 24 GLY H H 24 7.990 7.990 7.808 0.182 18822 969 1 10 . 1 1 25 25 LEU N N 25 118.196 118.196 119.111 -0.915 18822 970 1 10 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.239 -0.085 18822 971 1 10 . 1 1 25 25 LEU CA C 25 56.550 56.550 57.364 -0.814 18822 972 1 10 . 1 1 25 25 LEU H H 25 7.650 7.650 7.425 0.225 18822 973 1 10 . 1 1 26 26 LEU N N 26 116.901 116.901 120.130 -3.229 18822 974 1 10 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.086 0.170 18822 975 1 10 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.679 -0.949 18822 976 1 10 . 1 1 26 26 LEU H H 26 7.638 7.638 8.056 -0.418 18822 977 1 10 . 1 1 27 27 LEU N N 27 117.617 117.617 118.171 -0.554 18822 978 1 10 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.153 0.185 18822 979 1 10 . 1 1 27 27 LEU CA C 27 54.950 54.950 54.929 0.021 18822 980 1 10 . 1 1 27 27 LEU H H 27 7.673 7.673 7.802 -0.129 18822 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 24 2.170 0.791 2.064 18822 2 1 1 "Average Difference" HA 29 0.238 0.136 0.199 18822 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18822 4 1 1 "Average Difference" CA 26 1.702 -0.860 1.498 18822 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18822 6 1 1 "Average Difference" HN 25 0.418 -0.190 0.380 18822 7 1 2 "Average Difference" N 24 2.649 1.346 2.331 18822 8 1 2 "Average Difference" HA 29 0.259 0.147 0.217 18822 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18822 10 1 2 "Average Difference" CA 26 1.986 -1.085 1.697 18822 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18822 12 1 2 "Average Difference" HN 25 0.418 -0.179 0.385 18822 13 1 3 "Average Difference" N 24 2.161 0.891 2.011 18822 14 1 3 "Average Difference" HA 29 0.242 0.084 0.231 18822 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18822 16 1 3 "Average Difference" CA 26 1.854 -0.436 1.838 18822 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18822 18 1 3 "Average Difference" HN 25 0.457 -0.249 0.392 18822 19 1 4 "Average Difference" N 24 2.264 1.036 2.057 18822 20 1 4 "Average Difference" HA 29 0.244 0.120 0.216 18822 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18822 22 1 4 "Average Difference" CA 26 1.752 -0.695 1.640 18822 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18822 24 1 4 "Average Difference" HN 25 0.413 -0.138 0.397 18822 25 1 5 "Average Difference" N 24 2.284 1.134 2.025 18822 26 1 5 "Average Difference" HA 29 0.254 0.087 0.242 18822 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18822 28 1 5 "Average Difference" CA 26 1.799 -0.540 1.750 18822 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18822 30 1 5 "Average Difference" HN 25 0.440 -0.253 0.367 18822 31 1 6 "Average Difference" N 24 2.082 1.070 1.824 18822 32 1 6 "Average Difference" HA 29 0.244 0.117 0.219 18822 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18822 34 1 6 "Average Difference" CA 26 1.722 -0.822 1.543 18822 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18822 36 1 6 "Average Difference" HN 25 0.416 -0.167 0.389 18822 37 1 7 "Average Difference" N 24 2.673 1.115 2.481 18822 38 1 7 "Average Difference" HA 29 0.254 0.059 0.252 18822 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18822 40 1 7 "Average Difference" CA 26 1.730 -0.847 1.538 18822 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18822 42 1 7 "Average Difference" HN 25 0.515 -0.254 0.457 18822 43 1 8 "Average Difference" N 24 2.326 1.104 2.092 18822 44 1 8 "Average Difference" HA 29 0.238 0.134 0.200 18822 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18822 46 1 8 "Average Difference" CA 26 1.815 -0.851 1.634 18822 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18822 48 1 8 "Average Difference" HN 25 0.441 -0.133 0.429 18822 49 1 9 "Average Difference" N 24 2.808 1.393 2.491 18822 50 1 9 "Average Difference" HA 29 0.250 0.086 0.239 18822 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18822 52 1 9 "Average Difference" CA 26 1.742 -0.603 1.667 18822 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18822 54 1 9 "Average Difference" HN 25 0.376 -0.134 0.359 18822 55 1 10 "Average Difference" N 24 2.203 1.042 1.982 18822 56 1 10 "Average Difference" HA 29 0.232 0.114 0.206 18822 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18822 58 1 10 "Average Difference" CA 26 1.742 -0.730 1.613 18822 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18822 60 1 10 "Average Difference" HN 25 0.412 -0.135 0.397 18822 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 18822 _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 ILE HA H 2 3.987 3.987 4.026 -0.039 18822 2 1 . 1 1 2 2 ILE CA C 2 63.570 63.570 62.841 0.729 18822 3 1 . 1 1 2 2 ILE H H 2 8.372 8.372 8.390 -0.018 18822 4 1 . 1 1 3 3 GLY N N 3 107.813 107.813 106.535 1.278 18822 5 1 . 1 1 3 3 GLY CA C 3 46.820 46.820 45.022 1.798 18822 6 1 . 1 1 3 3 GLY H H 3 8.410 8.410 7.807 0.603 18822 7 1 . 1 1 4 4 MET N N 4 120.990 120.990 121.639 -0.649 18822 8 1 . 1 1 4 4 MET HA H 4 4.237 4.237 4.434 -0.197 18822 9 1 . 1 1 4 4 MET CA C 4 57.960 57.960 56.507 1.453 18822 10 1 . 1 1 4 4 MET H H 4 8.039 8.039 8.154 -0.115 18822 11 1 . 1 1 5 5 GLY N N 5 106.894 106.894 105.800 1.094 18822 12 1 . 1 1 5 5 GLY CA C 5 47.690 47.690 46.065 1.625 18822 13 1 . 1 1 5 5 GLY H H 5 8.199 8.199 8.424 -0.225 18822 14 1 . 1 1 6 6 VAL N N 6 115.379 115.379 119.640 -4.261 18822 15 1 . 1 1 6 6 VAL HA H 6 3.754 3.754 4.079 -0.325 18822 16 1 . 1 1 6 6 VAL CA C 6 66.470 66.470 64.251 2.219 18822 17 1 . 1 1 6 6 VAL H H 6 8.268 8.268 7.435 0.833 18822 18 1 . 1 1 7 7 THR N N 7 115.692 115.692 116.239 -0.546 18822 19 1 . 1 1 7 7 THR HA H 7 3.964 3.964 4.082 -0.118 18822 20 1 . 1 1 7 7 THR CA C 7 68.370 68.370 65.660 2.710 18822 21 1 . 1 1 7 7 THR H H 7 7.706 7.706 7.749 -0.043 18822 22 1 . 1 1 8 8 TYR N N 8 120.854 120.854 121.389 -0.535 18822 23 1 . 1 1 8 8 TYR HA H 8 4.209 4.209 4.314 -0.105 18822 24 1 . 1 1 8 8 TYR CA C 8 61.670 61.670 60.871 0.799 18822 25 1 . 1 1 8 8 TYR H H 8 8.100 8.100 7.801 0.299 18822 26 1 . 1 1 9 9 LEU N N 9 117.686 117.686 116.613 1.073 18822 27 1 . 1 1 9 9 LEU HA H 9 3.965 3.965 4.420 -0.455 18822 28 1 . 1 1 9 9 LEU CA C 9 58.090 58.090 55.050 3.040 18822 29 1 . 1 1 9 9 LEU H H 9 8.006 8.006 7.559 0.447 18822 30 1 . 1 1 10 10 ALA N N 10 121.286 121.286 123.106 -1.820 18822 31 1 . 1 1 10 10 ALA HA H 10 4.072 4.072 4.360 -0.288 18822 32 1 . 1 1 10 10 ALA CA C 10 55.460 55.460 55.105 0.355 18822 33 1 . 1 1 10 10 ALA H H 10 8.320 8.320 7.966 0.354 18822 34 1 . 1 1 11 11 LEU N N 11 119.311 119.311 118.982 0.329 18822 35 1 . 1 1 11 11 LEU HA H 11 4.053 4.053 4.169 -0.116 18822 36 1 . 1 1 11 11 LEU CA C 11 61.490 61.490 57.414 4.076 18822 37 1 . 1 1 11 11 LEU H H 11 8.158 8.158 7.497 0.661 18822 38 1 . 1 1 12 12 LEU N N 12 119.405 119.405 118.381 1.024 18822 39 1 . 1 1 12 12 LEU HA H 12 3.979 3.979 4.152 -0.173 18822 40 1 . 1 1 12 12 LEU CA C 12 58.090 58.090 56.227 1.863 18822 41 1 . 1 1 12 12 LEU H H 12 8.211 8.211 7.744 0.467 18822 42 1 . 1 1 13 13 ALA N N 13 120.690 120.690 120.859 -0.169 18822 43 1 . 1 1 13 13 ALA HA H 13 3.996 3.996 4.352 -0.356 18822 44 1 . 1 1 13 13 ALA CA C 13 55.060 55.060 53.679 1.381 18822 45 1 . 1 1 13 13 ALA H H 13 8.353 8.353 7.826 0.527 18822 46 1 . 1 1 14 14 ALA N N 14 119.292 119.292 122.240 -2.948 18822 47 1 . 1 1 14 14 ALA HA H 14 4.007 4.007 4.066 -0.059 18822 48 1 . 1 1 14 14 ALA CA C 14 55.070 55.070 54.434 0.636 18822 49 1 . 1 1 14 14 ALA H H 14 8.140 8.140 7.694 0.446 18822 50 1 . 1 1 15 15 PHE N N 15 119.448 119.448 118.460 0.988 18822 51 1 . 1 1 15 15 PHE HA H 15 4.352 4.352 4.303 0.049 18822 52 1 . 1 1 15 15 PHE CA C 15 60.070 60.070 60.239 -0.169 18822 53 1 . 1 1 15 15 PHE H H 15 8.272 8.272 8.069 0.203 18822 54 1 . 1 1 16 16 LYS N N 16 116.153 116.153 120.347 -4.194 18822 55 1 . 1 1 16 16 LYS HA H 16 4.262 4.262 4.156 0.106 18822 56 1 . 1 1 16 16 LYS CA C 16 55.890 55.890 57.726 -1.836 18822 57 1 . 1 1 16 16 LYS H H 16 7.959 7.959 8.171 -0.212 18822 58 1 . 1 1 17 17 VAL N N 17 116.676 116.676 116.368 0.308 18822 59 1 . 1 1 17 17 VAL HA H 17 4.001 4.001 4.194 -0.193 18822 60 1 . 1 1 17 17 VAL CA C 17 63.540 63.540 62.306 1.234 18822 61 1 . 1 1 17 17 VAL H H 17 7.991 7.991 7.915 0.076 18822 62 1 . 1 1 18 18 ARG N N 18 120.422 120.422 121.860 -1.438 18822 63 1 . 1 1 18 18 ARG HA H 18 4.414 4.414 4.318 0.096 18822 64 1 . 1 1 18 18 ARG CA C 18 58.030 58.030 58.566 -0.536 18822 65 1 . 1 1 18 18 ARG H H 18 8.075 8.075 7.857 0.218 18822 66 1 . 1 1 19 19 PRO HA H 19 4.370 4.370 4.566 -0.196 18822 67 1 . 1 1 19 19 PRO CA C 19 65.240 65.240 64.860 0.380 18822 68 1 . 1 1 20 20 THR N N 20 111.614 111.614 115.861 -4.247 18822 69 1 . 1 1 20 20 THR HA H 20 4.254 4.254 4.075 0.179 18822 70 1 . 1 1 20 20 THR CA C 20 63.960 63.960 66.473 -2.513 18822 71 1 . 1 1 20 20 THR H H 20 7.520 7.520 8.085 -0.566 18822 72 1 . 1 1 21 21 PHE N N 21 121.158 121.158 121.617 -0.459 18822 73 1 . 1 1 21 21 PHE HA H 21 4.381 4.381 4.174 0.207 18822 74 1 . 1 1 21 21 PHE CA C 21 59.890 59.890 61.381 -1.491 18822 75 1 . 1 1 21 21 PHE H H 21 8.065 8.065 7.699 0.366 18822 76 1 . 1 1 22 22 ALA N N 22 120.586 120.586 119.884 0.702 18822 77 1 . 1 1 22 22 ALA HA H 22 4.027 4.027 4.153 -0.126 18822 78 1 . 1 1 22 22 ALA CA C 22 54.630 54.630 54.210 0.420 18822 79 1 . 1 1 22 22 ALA H H 22 8.161 8.161 7.964 0.197 18822 80 1 . 1 1 23 23 ALA N N 23 118.530 118.530 122.318 -3.788 18822 81 1 . 1 1 23 23 ALA HA H 23 4.036 4.036 4.172 -0.137 18822 82 1 . 1 1 23 23 ALA CA C 23 54.720 54.720 54.558 0.162 18822 83 1 . 1 1 23 23 ALA H H 23 7.955 7.955 8.418 -0.463 18822 84 1 . 1 1 24 24 GLY N N 24 103.400 103.400 104.959 -1.559 18822 85 1 . 1 1 24 24 GLY CA C 24 46.650 46.650 44.350 2.300 18822 86 1 . 1 1 24 24 GLY H H 24 7.990 7.990 7.757 0.233 18822 87 1 . 1 1 25 25 LEU N N 25 118.196 118.196 119.386 -1.191 18822 88 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.131 0.023 18822 89 1 . 1 1 25 25 LEU CA C 25 56.550 56.550 56.950 -0.400 18822 90 1 . 1 1 25 25 LEU H H 25 7.650 7.650 7.139 0.511 18822 91 1 . 1 1 26 26 LEU N N 26 116.901 116.901 118.922 -2.021 18822 92 1 . 1 1 26 26 LEU HA H 26 4.256 4.256 4.146 0.110 18822 93 1 . 1 1 26 26 LEU CA C 26 55.730 55.730 56.228 -0.498 18822 94 1 . 1 1 26 26 LEU H H 26 7.638 7.638 7.623 0.015 18822 95 1 . 1 1 27 27 LEU N N 27 117.617 117.617 120.798 -3.181 18822 96 1 . 1 1 27 27 LEU HA H 27 4.338 4.338 4.262 0.076 18822 97 1 . 1 1 27 27 LEU CA C 27 54.950 54.950 55.269 -0.319 18822 98 1 . 1 1 27 27 LEU H H 27 7.673 7.673 7.909 -0.236 18822 stop_ save_